| 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 | 53.2 | Low | 76.3 | Confident | 157 Ų | 157 | 87.3 Ų | 87.3 | 77% | 0.773 | 45% | 0.451 | S | S | * | . | 0 | 131.7 | 0 | -84.6 | -97.2 | 176.1 | 0 | 0 | 107.4 | |||||
| 2 | I | 60.6 | Low | 77.8 | Confident | 64 Ų | 64 | 88.3 Ų | 88.3 | 33% | 0.328 | 45% | 0.452 | S | S | . | . | trans | -70 | 147.5 | -178.5 | -68 | 161.4 | 0 | 0 | 0 | 109.2 | D6 Q7 L10 | I2-D6 HydrophobicContact CG2-CB 3.12Å; I2-Q7 HydrophobicContact CB-CG 4.49Å; I2-Q7 HydrophobicContact CG2-CG 4.21Å; I2-L10 HydrophobicContact CD1-CD1 3.86Å; I2-L10 HydrophobicContact CG2-CD1 4Å | ||
| 3 | S | 67.3 | Low | 78.9 | Confident | 52 Ų | 52 | 91.5 Ų | 91.5 | 36% | 0.364 | 46% | 0.464 | S | S | . | . | trans | -65 | 161.2 | -179.1 | 79.7 | 0 | 0 | 0 | 0 | 111.2 | E5 D6 Q7 | S3-E5 VanDerWaalsContact C-N 3.3Å; S3-E5 PolarHBondContact O-N 3Å; S3-D6 WeakPolarHBondContact CB-OD2 3.34Å; S3-D6 PolarHBondContact N-OD2 3.47Å; S3-D6 PolarHBondContact O-N 2.97Å; S3-D6 WeakPolarHBondContact OG-CB 3.33Å; S3-D6 PolarHBondContact OG-N 3.27Å; S3-D6 PolarHBondContact OG-OD2 3.16Å; S3-Q7 WeakPolarHBondContact O-CG 3.45Å; S3-Q7 PolarHBondContact O-N 3.48Å | ||
| 4 | K | 70.1 | Confident | 80 | Confident | 181 Ų | 181 | 85.1 Ų | 85.1 | 79% | 0.787 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -59.5 | -42.1 | 177.6 | -86.7 | -173.4 | 176.2 | -179.6 | 0 | 111.8 | D6 Q7 E8 | K4-D6 VanDerWaalsContact C-N 3.34Å; K4-D6 PolarHBondContact O-N 3.37Å; K4-Q7 WeakPolarHBondContact O-CB 3.22Å; K4-Q7 PolarHBondContact O-N 2.64Å; K4-Q7 VanDerWaalsContact O-N 3.16Å; K4-E8 PolarHBondContact O-N 3.15Å |
| 5 | E | 67.3 | Low | 81.1 | Confident | 158 Ų | 158 | 80.1 Ų | 80.1 | 74% | 0.738 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -62.9 | -42.8 | 178.3 | -66.7 | 173.9 | 179.8 | 0 | 0 | 111 | S3 Q7 E8 G9 | S3-E5 VanDerWaalsContact C-N 3.3Å; S3-E5 PolarHBondContact O-N 3Å; E5-Q7 VanDerWaalsContact C-N 3.31Å; E5-Q7 PolarHBondContact O-N 3.4Å; E5-E8 PolarHBondContact O-N 3.41Å; E5-G9 PolarHBondContact O-N 3.24Å |
| 6 | D | 80.1 | Confident | 82 | Confident | 93 Ų | 93 | 79.8 Ų | 79.8 | 50% | 0.497 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -66.2 | -32.4 | 175.6 | -62.7 | -37.2 | 0 | 0 | 0 | 112.2 | I2 S3 K4 L10 | I2-D6 HydrophobicContact CG2-CB 3.12Å; S3-D6 WeakPolarHBondContact CB-OD2 3.34Å; S3-D6 PolarHBondContact N-OD2 3.47Å; S3-D6 PolarHBondContact O-N 2.97Å; S3-D6 WeakPolarHBondContact OG-CB 3.33Å; S3-D6 PolarHBondContact OG-N 3.27Å; S3-D6 PolarHBondContact OG-OD2 3.16Å; K4-D6 VanDerWaalsContact C-N 3.34Å; K4-D6 PolarHBondContact O-N 3.37Å; D6-L10 WeakPolarHBondContact O-CB 3.26Å; D6-L10 WeakPolarHBondContact O-CD1 3.33Å; D6-L10 VanDerWaalsContact O-CG 3.31Å; D6-L10 WeakPolarHBondContact O-CG 3.22Å; D6-L10 PolarHBondContact O-N 2.93Å |
| 7 | Q | 84.3 | Confident | 82.8 | Confident | 23 Ų | 23 | 77.1 Ų | 77.1 | 11% | 0.107 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -66.2 | -41.8 | 174.4 | -76.2 | -69.2 | -62.3 | 0 | 0 | 112.3 | I2 S3 K4 E5 L11 S52 S54 | I2-Q7 HydrophobicContact CB-CG 4.49Å; I2-Q7 HydrophobicContact CG2-CG 4.21Å; S3-Q7 WeakPolarHBondContact O-CG 3.45Å; S3-Q7 PolarHBondContact O-N 3.48Å; K4-Q7 WeakPolarHBondContact O-CB 3.22Å; K4-Q7 PolarHBondContact O-N 2.64Å; K4-Q7 VanDerWaalsContact O-N 3.16Å; E5-Q7 VanDerWaalsContact C-N 3.31Å; E5-Q7 PolarHBondContact O-N 3.4Å; Q7-L11 VanDerWaalsContact O-CB 3.31Å; Q7-L11 WeakPolarHBondContact O-CB 3.49Å; Q7-L11 PolarHBondContact O-N 3.42Å; Q7-S52 PolarHBondContact NE2-O 2.95Å; Q7-S54 PolarHBondContact OE1-OG 3.3Å |
| 8 | E | 87.3 | Confident | 83.5 | Confident | 136 Ų | 136 | 72.8 Ų | 72.8 | 64% | 0.636 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -65.9 | -42.5 | 176 | -72 | 174.5 | -174.1 | 0 | 0 | 110.8 | K4 E5 L11 E12 | K4-E8 PolarHBondContact O-N 3.15Å; E5-E8 PolarHBondContact O-N 3.41Å; E8-L11 PolarHBondContact O-N 3.08Å; E8-E12 PolarHBondContact O-N 3.35Å |
| 9 | G | 88.7 | Confident | 84.1 | Confident | 44 Ų | 44 | 75.3 Ų | 75.3 | 45% | 0.454 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -60.8 | -47.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | E5 L11 E12 E13 | E5-G9 PolarHBondContact O-N 3.24Å; G9-L11 VanDerWaalsContact C-N 3.31Å; G9-L11 PolarHBondContact O-N 3.35Å; G9-E12 PolarHBondContact O-N 3.34Å; G9-E13 PolarHBondContact O-N 3.01Å |
| 10 | L | 88.5 | Confident | 84.8 | Confident | 40 Ų | 40 | 77.1 Ų | 77.1 | 21% | 0.209 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -60.6 | -40.3 | 175.5 | -81.1 | 160.1 | 0 | 0 | 0 | 112.2 | I2 D6 C14 L53 | I2-L10 HydrophobicContact CD1-CD1 3.86Å; I2-L10 HydrophobicContact CG2-CD1 4Å; D6-L10 WeakPolarHBondContact O-CB 3.26Å; D6-L10 WeakPolarHBondContact O-CD1 3.33Å; D6-L10 VanDerWaalsContact O-CG 3.31Å; D6-L10 WeakPolarHBondContact O-CG 3.22Å; D6-L10 PolarHBondContact O-N 2.93Å; L10-C14 PolarHBondContact O-N 3.14Å; L10-C14 VanDerWaalsContact O-N 3.11Å; L10-C14 PolarHBondContact O-SG 3.46Å; L10-L53 HydrophobicContact CB-CD2 4.14Å |
| 11 | L | 92.5 | Very high | 85.4 | Confident | 12 Ų | 12 | 76.8 Ų | 76.8 | 6% | 0.063 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -65.2 | -45.3 | 177.5 | 177.8 | 60.8 | 0 | 0 | 0 | 111.2 | Q7 E8 G9 E13 C14 L15 L53 A57 E60 L61 | Q7-L11 VanDerWaalsContact O-CB 3.31Å; Q7-L11 WeakPolarHBondContact O-CB 3.49Å; Q7-L11 PolarHBondContact O-N 3.42Å; E8-L11 PolarHBondContact O-N 3.08Å; G9-L11 VanDerWaalsContact C-N 3.31Å; G9-L11 PolarHBondContact O-N 3.35Å; L11-E13 VanDerWaalsContact C-N 3.33Å; L11-E13 PolarHBondContact O-N 3.32Å; L11-C14 PolarHBondContact O-N 2.98Å; L11-L15 HydrophobicContact CD1-CD1 4.08Å; L11-L15 HydrophobicContact CD1-CG 4.03Å; L11-L15 HydrophobicContact CD2-CD1 4.49Å; L11-L15 HydrophobicContact CG-CD1 3.89Å; L11-L15 HydrophobicContact CG-CG 4.27Å; L11-L15 WeakPolarHBondContact O-CB 3.37Å; L11-L15 VanDerWaalsContact O-CG 3.31Å; L11-L15 WeakPolarHBondContact O-CG 3.22Å; L11-L15 PolarHBondContact O-N 3.12Å; L11-L53 HydrophobicContact CB-CD2 4.31Å; L11-A57 HydrophobicContact CB-CB 4.35Å; L11-A57 HydrophobicContact CD1-CB 4.3Å; L11-A57 VanDerWaalsContact CD1-O 3.3Å; L11-A57 WeakPolarHBondContact CD1-O 3.48Å; L11-A57 HydrophobicContact CD2-CB 4.06Å; L11-A57 HydrophobicContact CG-CB 4.47Å; L11-E60 HydrophobicContact CD2-CB 4.1Å; L11-E60 VanDerWaalsContact CD2-OE2 3.29Å; L11-E60 WeakPolarHBondContact CD2-OE2 3.43Å; L11-L61 HydrophobicContact CD1-CB 4.04Å |
| 12 | E | 93.4 | Very high | 87.4 | Confident | 99 Ų | 99 | 69.3 Ų | 69.3 | 46% | 0.463 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -65.3 | -36.8 | -179.6 | -167.7 | 58.4 | -146.5 | 0 | 0 | 111.7 | E8 G9 L15 C16 R19 | E8-E12 PolarHBondContact O-N 3.35Å; G9-E12 PolarHBondContact O-N 3.34Å; E12-L15 PolarHBondContact O-N 3.23Å; E12-C16 VanDerWaalsContact O-CB 3.29Å; E12-C16 WeakPolarHBondContact O-CB 3.41Å; E12-C16 PolarHBondContact O-N 3.23Å; E12-R19 IonicContact OE1-CZ 2.85Å; E12-R19 IonicContact OE1-NH1 3.19Å; E12-R19 PolarHBondContact OE1-NH1 3.3Å |
| 13 | E | 93.2 | Very high | 89.1 | Confident | 130 Ų | 130 | 69.6 Ų | 69.6 | 61% | 0.607 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -61.3 | -46.9 | 172.7 | -173.9 | -179.5 | -175.1 | 0 | 0 | 111.8 | G9 L11 L15 C16 T17 | G9-E13 PolarHBondContact O-N 3.01Å; L11-E13 VanDerWaalsContact C-N 3.33Å; L11-E13 PolarHBondContact O-N 3.32Å; E13-L15 PolarHBondContact O-N 3.01Å; E13-C16 PolarHBondContact O-N 3.29Å; E13-T17 PolarHBondContact O-N 2.64Å; E13-T17 VanDerWaalsContact O-N 3.1Å; E13-T17 PolarHBondContact O-OG1 2.97Å |
| 14 | C | 94.1 | Very high | 90.5 | Very high | 2 Ų | 2 | 70.3 Ų | 70.3 | 1% | 0.014 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -61.2 | -45.9 | 176 | -65.5 | 0 | 0 | 0 | 0 | 110.9 | L10 L11 C16 T17 V18 E47 N50 L61 | L10-C14 PolarHBondContact O-N 3.14Å; L10-C14 VanDerWaalsContact O-N 3.11Å; L10-C14 PolarHBondContact O-SG 3.46Å; L11-C14 PolarHBondContact O-N 2.98Å; C14-C16 PolarHBondContact O-N 3.2Å; C14-T17 PolarHBondContact O-N 3.46Å; C14-V18 WeakPolarHBondContact O-CG2 3.29Å; C14-V18 PolarHBondContact O-N 3.25Å; C14-E47 HydrophobicContact CB-CB 4.42Å; C14-N50 PolarHBondContact SG-ND2 3.08Å; C14-L61 HydrophobicContact CB-CD1 4.05Å; C14-L61 HydrophobicContact CB-CD2 4.26Å |
| 15 | L | 95.4 | Very high | 91.8 | Very high | 11 Ų | 11 | 61.7 Ų | 61.7 | 6% | 0.058 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -65.3 | -38.3 | 179.7 | -74.2 | 176.1 | 0 | 0 | 0 | 112.3 | L11 E12 E13 V18 R19 L61 V64 | L11-L15 HydrophobicContact CD1-CD1 4.08Å; L11-L15 HydrophobicContact CD1-CG 4.03Å; L11-L15 HydrophobicContact CD2-CD1 4.49Å; L11-L15 HydrophobicContact CG-CD1 3.89Å; L11-L15 HydrophobicContact CG-CG 4.27Å; L11-L15 WeakPolarHBondContact O-CB 3.37Å; L11-L15 VanDerWaalsContact O-CG 3.31Å; L11-L15 WeakPolarHBondContact O-CG 3.22Å; L11-L15 PolarHBondContact O-N 3.12Å; E12-L15 PolarHBondContact O-N 3.23Å; E13-L15 PolarHBondContact O-N 3.01Å; L15-V18 PolarHBondContact O-N 3.33Å; L15-R19 WeakPolarHBondContact O-CB 3.22Å; L15-R19 WeakPolarHBondContact O-CG 3.44Å; L15-R19 PolarHBondContact O-N 3.38Å; L15-L61 HydrophobicContact CD2-CD1 3.91Å; L15-L61 HydrophobicContact CG-CD1 4.46Å; L15-V64 HydrophobicContact CD2-CB 3.95Å; L15-V64 HydrophobicContact CD2-CG1 4.23Å; L15-V64 HydrophobicContact CD2-CG2 3.77Å |
| 16 | C | 96.1 | Very high | 93.2 | Very high | 74 Ų | 74 | 56.7 Ų | 56.7 | 50% | 0.5 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -60 | -48.1 | 174.8 | -169.4 | 0 | 0 | 0 | 0 | 110.8 | E12 E13 C14 V18 R19 Q20 | E12-C16 VanDerWaalsContact O-CB 3.29Å; E12-C16 WeakPolarHBondContact O-CB 3.41Å; E12-C16 PolarHBondContact O-N 3.23Å; E13-C16 PolarHBondContact O-N 3.29Å; C14-C16 PolarHBondContact O-N 3.2Å; C16-V18 PolarHBondContact O-N 2.99Å; C16-R19 PolarHBondContact O-N 3Å; C16-Q20 PolarHBondContact O-N 2.97Å |
| 17 | T | 94.9 | Very high | 93.9 | Very high | 34 Ų | 34 | 54.7 Ų | 54.7 | 21% | 0.209 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62.5 | -43.7 | 177.6 | -55.9 | 0 | 0 | 0 | 0 | 111.7 | E13 C14 R19 Q20 Y21 E47 | E13-T17 PolarHBondContact O-N 2.64Å; E13-T17 VanDerWaalsContact O-N 3.1Å; E13-T17 PolarHBondContact O-OG1 2.97Å; C14-T17 PolarHBondContact O-N 3.46Å; T17-R19 PolarHBondContact O-N 3.34Å; T17-Q20 PolarHBondContact O-N 3.26Å; T17-Y21 HydrophobicContact CG2-CD2 3.75Å; T17-Y21 HydrophobicContact CG2-CE2 3.63Å; T17-Y21 WeakPolarHBondContact O-CD2 3.31Å; T17-Y21 PolarHBondContact O-N 2.75Å; T17-E47 HydrophobicContact CG2-CG 4.01Å |
| 18 | V | 96.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -59.4 | -47.4 | 175.1 | 164 | 0 | 0 | 0 | 0 | 111.4 | C14 L15 C16 Q20 Y21 A22 M44 E47 L61 V64 V65 | C14-V18 WeakPolarHBondContact O-CG2 3.29Å; C14-V18 PolarHBondContact O-N 3.25Å; L15-V18 PolarHBondContact O-N 3.33Å; C16-V18 PolarHBondContact O-N 2.99Å; V18-Q20 VanDerWaalsContact C-N 3.34Å; V18-Q20 PolarHBondContact O-N 3.22Å; V18-Y21 PolarHBondContact O-N 3.07Å; V18-A22 WeakPolarHBondContact O-CB 3.2Å; V18-A22 PolarHBondContact O-N 3.04Å; V18-M44 HydrophobicContact CB-CG 4.12Å; V18-M44 HydrophobicContact CG1-CG 3.77Å; V18-M44 HydrophobicContact CG1-SD 3.96Å; V18-M44 HydrophobicContact CG2-CG 4.03Å; V18-E47 HydrophobicContact CG2-CB 3.91Å; V18-E47 HydrophobicContact CG2-CG 3.92Å; V18-L61 HydrophobicContact CG2-CD1 3.76Å; V18-V64 HydrophobicContact CG1-CG1 3.92Å; V18-V65 HydrophobicContact CG1-CG2 3.91Å; V18-V65 HydrophobicContact CG2-CG2 3.77Å |
| 19 | R | 95.6 | Very high | 94.7 | Very high | 120 Ų | 120 | 48.3 Ų | 48.3 | 45% | 0.453 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -62.7 | -39.8 | 179.2 | -71.2 | 168.4 | -170.9 | 143.1 | 1.6 | 111.7 | E12 L15 C16 T17 C23 | E12-R19 IonicContact OE1-CZ 2.85Å; E12-R19 IonicContact OE1-NH1 3.19Å; E12-R19 PolarHBondContact OE1-NH1 3.3Å; L15-R19 WeakPolarHBondContact O-CB 3.22Å; L15-R19 WeakPolarHBondContact O-CG 3.44Å; L15-R19 PolarHBondContact O-N 3.38Å; C16-R19 PolarHBondContact O-N 3Å; T17-R19 PolarHBondContact O-N 3.34Å; R19-C23 WeakPolarHBondContact O-CB 3.39Å; R19-C23 PolarHBondContact O-N 3.01Å |
| 20 | Q | 97 | Very high | 94.9 | Very high | 112 Ų | 112 | 53.7 Ų | 53.7 | 52% | 0.523 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -62.8 | -51.3 | 177.5 | -176.1 | -179.2 | 4.3 | 0 | 0 | 111.7 | C16 T17 V18 C23 Q24 | C16-Q20 PolarHBondContact O-N 2.97Å; T17-Q20 PolarHBondContact O-N 3.26Å; V18-Q20 VanDerWaalsContact C-N 3.34Å; V18-Q20 PolarHBondContact O-N 3.22Å; Q20-C23 PolarHBondContact O-N 3.37Å; Q20-Q24 WeakPolarHBondContact O-CG 3.37Å; Q20-Q24 PolarHBondContact O-N 3.36Å; Q20-Q24 VanDerWaalsContact O-N 3.14Å |
| 21 | Y | 97.4 | Very high | 95.2 | Very high | 70 Ų | 70 | 58.3 Ų | 58.3 | 28% | 0.275 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -69.1 | -33.9 | 178.8 | -76.2 | -60.5 | 0 | 0 | 0 | 112.7 | T17 V18 Q24 M25 H40 N43 | T17-Y21 HydrophobicContact CG2-CD2 3.75Å; T17-Y21 HydrophobicContact CG2-CE2 3.63Å; T17-Y21 WeakPolarHBondContact O-CD2 3.31Å; T17-Y21 PolarHBondContact O-N 2.75Å; V18-Y21 PolarHBondContact O-N 3.07Å; Y21-Q24 PolarHBondContact O-N 3.34Å; Y21-M25 WeakPolarHBondContact O-CB 3.32Å; Y21-M25 PolarHBondContact O-N 3.22Å; Y21-H40 AromaticContact CD1-ND1 3.97Å; Y21-N43 HydrophobicContact CD1-CB 3.8Å; Y21-N43 HydrophobicContact CD2-CB 4.2Å; Y21-N43 HydrophobicContact CE1-CB 3.73Å; Y21-N43 HydrophobicContact CE2-CB 4.12Å; Y21-N43 HydrophobicContact CG-CB 4.05Å |
| 22 | A | 95.7 | Very high | 95.1 | Very high | 1 Ų | 1 | 64.8 Ų | 64.8 | 1% | 0.008 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -62.4 | -43 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | V18 Q24 M25 E26 M44 K68 | V18-A22 WeakPolarHBondContact O-CB 3.2Å; V18-A22 PolarHBondContact O-N 3.04Å; A22-Q24 VanDerWaalsContact C-N 3.35Å; A22-Q24 PolarHBondContact O-N 3.3Å; A22-M25 WeakPolarHBondContact O-CB 3.49Å; A22-M25 PolarHBondContact O-N 3.35Å; A22-E26 WeakPolarHBondContact O-CG 3.23Å; A22-E26 PolarHBondContact O-N 3.36Å; A22-M44 HydrophobicContact CB-SD 3.87Å; A22-K68 HydrophobicContact CB-CB 4.21Å; A22-K68 HydrophobicContact CB-CD 3.89Å; A22-K68 HydrophobicContact CB-CG 3.68Å |
| 23 | C | 96 | Very high | 95 | Very high | 70 Ų | 70 | 66.7 Ų | 66.7 | 47% | 0.473 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -62 | -42.8 | 175.5 | -179.9 | 0 | 0 | 0 | 0 | 111.4 | R19 Q20 E26 C27 | R19-C23 WeakPolarHBondContact O-CB 3.39Å; R19-C23 PolarHBondContact O-N 3.01Å; Q20-C23 PolarHBondContact O-N 3.37Å; C23-E26 PolarHBondContact O-N 3.3Å; C23-C27 PolarHBondContact O-N 3.14Å; C23-C27 PolarHBondContact O-SG 2.93Å; C23-C27 VanDerWaalsContact O-SG 3.34Å |
| 24 | Q | 96.8 | Very high | 94.9 | Very high | 66 Ų | 66 | 61.3 Ų | 61.3 | 31% | 0.308 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -64 | -40.9 | 175.5 | -69.6 | 175 | -5.3 | 0 | 0 | 112.5 | Q20 Y21 A22 C27 C28 H40 | Q20-Q24 WeakPolarHBondContact O-CG 3.37Å; Q20-Q24 PolarHBondContact O-N 3.36Å; Q20-Q24 VanDerWaalsContact O-N 3.14Å; Y21-Q24 PolarHBondContact O-N 3.34Å; A22-Q24 VanDerWaalsContact C-N 3.35Å; A22-Q24 PolarHBondContact O-N 3.3Å; Q24-C27 PolarHBondContact O-N 3.29Å; Q24-C28 WeakPolarHBondContact O-CB 3.47Å; Q24-C28 PolarHBondContact O-N 3.3Å; Q24-C28 PolarHBondContact O-SG 3.29Å; Q24-H40 HydrophobicContact CB-CB 4.41Å; Q24-H40 PolarHBondContact OE1-CE1 3.44Å; Q24-H40 PolarHBondContact OE1-ND1 3.05Å |
| 25 | M | 96.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -58 | -53.9 | 173.2 | 176.4 | -169 | 74.7 | 0 | 0 | 110.1 | Y21 A22 C27 C28 L29 A37 H40 A41 K68 L72 | Y21-M25 WeakPolarHBondContact O-CB 3.32Å; Y21-M25 PolarHBondContact O-N 3.22Å; A22-M25 WeakPolarHBondContact O-CB 3.49Å; A22-M25 PolarHBondContact O-N 3.35Å; M25-C27 PolarHBondContact O-N 3.49Å; M25-C28 WeakPolarHBondContact O-CA 3.5Å; M25-C28 WeakPolarHBondContact O-CB 3.38Å; M25-C28 PolarHBondContact O-N 2.82Å; M25-L29 HydrophobicContact CG-CD1 4.21Å; M25-L29 HydrophobicContact CG-CG 4.42Å; M25-L29 WeakPolarHBondContact O-CG 3.37Å; M25-L29 PolarHBondContact O-N 2.87Å; M25-A37 HydrophobicContact CG-CB 4.18Å; M25-A37 WeakPolarHBondContact CG-O 3.46Å; M25-H40 HydrophobicContact CB-CB 3.97Å; M25-A41 HydrophobicContact CG-CB 4.4Å; M25-A41 HydrophobicContact SD-CB 3.63Å; M25-K68 HydrophobicContact CE-CB 4.47Å; M25-K68 WeakPolarHBondContact CE-O 3.49Å; M25-L72 HydrophobicContact SD-CB 4.15Å; M25-L72 HydrophobicContact SD-CD2 4.48Å |
| 26 | E | 96.4 | Very high | 94.6 | Very high | 54 Ų | 54 | 69.1 Ų | 69.1 | 25% | 0.252 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -56.3 | -45.9 | 179 | -71.6 | 168.6 | -172.5 | 0 | 0 | 111.7 | A22 C23 C28 L29 E30 K68 T71 | A22-E26 WeakPolarHBondContact O-CG 3.23Å; A22-E26 PolarHBondContact O-N 3.36Å; C23-E26 PolarHBondContact O-N 3.3Å; E26-C28 VanDerWaalsContact C-N 3.31Å; E26-C28 PolarHBondContact O-N 3.34Å; E26-L29 WeakPolarHBondContact O-CB 3.44Å; E26-L29 PolarHBondContact O-N 3.1Å; E26-L29 VanDerWaalsContact O-N 3.15Å; E26-E30 WeakPolarHBondContact O-CG 3.31Å; E26-E30 PolarHBondContact O-N 2.98Å; E26-K68 IonicContact OE1-NZ 2.73Å; E26-K68 PolarHBondContact OE1-NZ 2.82Å; E26-K68 IonicContact OE2-NZ 2.86Å; E26-T71 HydrophobicContact CG-CG2 4.23Å |
| 27 | C | 96 | Very high | 94.6 | Very high | 50 Ų | 50 | 65.6 Ų | 65.6 | 34% | 0.338 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -61.3 | -35.2 | 174.3 | -71.2 | 0 | 0 | 0 | 0 | 113.6 | C23 Q24 M25 K31 | C23-C27 PolarHBondContact O-N 3.14Å; C23-C27 PolarHBondContact O-SG 2.93Å; C23-C27 VanDerWaalsContact O-SG 3.34Å; Q24-C27 PolarHBondContact O-N 3.29Å; M25-C27 PolarHBondContact O-N 3.49Å; C27-K31 WeakPolarHBondContact O-CG 3.37Å; C27-K31 PolarHBondContact O-N 3.14Å |
| 28 | C | 95.5 | Very high | 94.5 | Very high | 18 Ų | 18 | 64.4 Ų | 64.4 | 12% | 0.122 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -72 | -35.7 | 175.6 | -68.6 | 0 | 0 | 0 | 0 | 111.6 | Q24 M25 E26 K31 R32 Y33 D36 A37 | Q24-C28 WeakPolarHBondContact O-CB 3.47Å; Q24-C28 PolarHBondContact O-N 3.3Å; Q24-C28 PolarHBondContact O-SG 3.29Å; M25-C28 WeakPolarHBondContact O-CA 3.5Å; M25-C28 WeakPolarHBondContact O-CB 3.38Å; M25-C28 PolarHBondContact O-N 2.82Å; E26-C28 VanDerWaalsContact C-N 3.31Å; E26-C28 PolarHBondContact O-N 3.34Å; C28-K31 CarbonylContact O-C 3.5Å; C28-K31 PolarHBondContact O-N 3.4Å; C28-R32 PolarHBondContact O-N 3.45Å; C28-Y33 PolarHBondContact O-N 3.37Å; C28-D36 HydrophobicContact CB-CB 4.49Å; C28-A37 HydrophobicContact CB-CB 3.77Å |
| 29 | L | 93.4 | Very high | 94.5 | Very high | 7 Ų | 7 | 69.3 Ų | 69.3 | 4% | 0.037 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -64.2 | -44.5 | 174.7 | -64 | 177.8 | 0 | 0 | 0 | 111.2 | M25 E26 K31 R32 L34 A37 L72 Y75 | M25-L29 HydrophobicContact CG-CD1 4.21Å; M25-L29 HydrophobicContact CG-CG 4.42Å; M25-L29 WeakPolarHBondContact O-CG 3.37Å; M25-L29 PolarHBondContact O-N 2.87Å; E26-L29 WeakPolarHBondContact O-CB 3.44Å; E26-L29 PolarHBondContact O-N 3.1Å; E26-L29 VanDerWaalsContact O-N 3.15Å; L29-K31 VanDerWaalsContact C-N 3.27Å; L29-K31 PolarHBondContact O-N 2.87Å; L29-R32 PolarHBondContact O-N 2.97Å; L29-L34 HydrophobicContact CD2-CD1 4.24Å; L29-A37 HydrophobicContact CD2-CB 3.41Å; L29-A37 VanDerWaalsContact CD2-CB 3.41Å; L29-A37 HydrophobicContact CG-CB 3.86Å; L29-L72 HydrophobicContact CD1-CD1 4.18Å; L29-L72 HydrophobicContact CD2-CD1 3.79Å; L29-Y75 HydrophobicContact CB-CD2 3.86Å; L29-Y75 HydrophobicContact CB-CE2 3.88Å; L29-Y75 HydrophobicContact CB-CG 4.17Å; L29-Y75 HydrophobicContact CD1-CG 4.18Å; L29-Y75 HydrophobicContact CD2-CD1 3.54Å; L29-Y75 HydrophobicContact CD2-CD2 4.4Å; L29-Y75 HydrophobicContact CD2-CE1 3.67Å; L29-Y75 HydrophobicContact CD2-CG 3.91Å; L29-Y75 HydrophobicContact CG-CD1 4.4Å; L29-Y75 HydrophobicContact CG-CD2 4.49Å; L29-Y75 HydrophobicContact CG-CG 4.29Å; L29-Y75 WeakPolarHBondContact O-CE2 3.5Å; L29-Y75 PolarHBondContact O-OH 3.27Å; L29-Y75 VanDerWaalsContact O-OH 3.07Å |
| 30 | E | 93.1 | Very high | 94.5 | Very high | 158 Ų | 158 | 65.6 Ų | 65.6 | 74% | 0.738 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -57.5 | -39.9 | 174 | -71.8 | 176 | 177 | 0 | 0 | 112.2 | E26 R32 | E26-E30 WeakPolarHBondContact O-CG 3.31Å; E26-E30 PolarHBondContact O-N 2.98Å; E30-R32 VanDerWaalsContact C-N 3.27Å; E30-R32 PolarHBondContact O-N 3.03Å |
| 31 | K | 93.6 | Very high | 94.5 | Very high | 137 Ų | 137 | 60.2 Ų | 60.2 | 60% | 0.596 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.3 | -0.8 | 176.9 | -66.4 | 174.8 | -174.4 | 175.6 | 0 | 114 | C27 C28 L29 Y33 | C27-K31 WeakPolarHBondContact O-CG 3.37Å; C27-K31 PolarHBondContact O-N 3.14Å; C28-K31 CarbonylContact O-C 3.5Å; C28-K31 PolarHBondContact O-N 3.4Å; L29-K31 VanDerWaalsContact C-N 3.27Å; L29-K31 PolarHBondContact O-N 2.87Å; K31-Y33 VanDerWaalsContact C-N 3.29Å; K31-Y33 HydrophobicContact CB-CD2 3.93Å; K31-Y33 HydrophobicContact CB-CE2 4.03Å; K31-Y33 HydrophobicContact CB-CG 4.31Å; K31-Y33 HydrophobicContact CD-CD2 4.48Å; K31-Y33 HydrophobicContact CD-CE2 4.27Å; K31-Y33 PolarHBondContact O-N 2.9Å |
| 32 | R | 89.9 | Confident | 94.4 | Very high | 147 Ų | 147 | 57.1 Ų | 57.1 | 56% | 0.555 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.4 | 27.5 | -176.6 | -54.8 | -174 | 168.8 | -170.7 | -7.2 | 115.5 | C28 L29 E30 L34 Y75 E79 | C28-R32 PolarHBondContact O-N 3.45Å; L29-R32 PolarHBondContact O-N 2.97Å; E30-R32 VanDerWaalsContact C-N 3.27Å; E30-R32 PolarHBondContact O-N 3.03Å; R32-L34 PolarHBondContact O-N 2.96Å; R32-Y75 WeakPolarHBondContact CA-OH 3.35Å; R32-E79 IonicContact CZ-OE1 4Å; R32-E79 IonicContact NE-OE1 3.99Å; R32-E79 IonicContact NH2-OE1 3.2Å |
| 33 | Y | 92.2 | Very high | 94.4 | Very high | 139 Ų | 139 | 59.3 Ų | 59.3 | 55% | 0.545 | 29% | 0.289 | S | S | . | . | trans | -91.7 | 76 | 173.8 | -60.5 | -25.1 | 0 | 0 | 0 | 110.6 | C28 K31 V35 D36 A37 | C28-Y33 PolarHBondContact O-N 3.37Å; K31-Y33 VanDerWaalsContact C-N 3.29Å; K31-Y33 HydrophobicContact CB-CD2 3.93Å; K31-Y33 HydrophobicContact CB-CE2 4.03Å; K31-Y33 HydrophobicContact CB-CG 4.31Å; K31-Y33 HydrophobicContact CD-CD2 4.48Å; K31-Y33 HydrophobicContact CD-CE2 4.27Å; K31-Y33 PolarHBondContact O-N 2.9Å; Y33-V35 PolarHBondContact O-N 3.17Å; Y33-D36 PolarHBondContact O-N 2.95Å; Y33-A37 WeakPolarHBondContact O-CB 3.29Å; Y33-A37 PolarHBondContact O-N 3.16Å | ||
| 34 | L | 90.7 | Very high | 94.4 | Very high | 18 Ų | 18 | 56 Ų | 56 | 9% | 0.094 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -64 | -40.7 | -171 | -179.1 | 60.5 | 0 | 0 | 0 | 113.8 | L29 R32 A37 I38 L72 Y75 L76 V86 L89 | L29-L34 HydrophobicContact CD2-CD1 4.24Å; R32-L34 PolarHBondContact O-N 2.96Å; L34-A37 PolarHBondContact O-N 3.17Å; L34-I38 HydrophobicContact CD1-CD1 4.11Å; L34-I38 HydrophobicContact CD1-CG1 4.3Å; L34-I38 HydrophobicContact CG-CD1 4.03Å; L34-I38 WeakPolarHBondContact O-CG1 3.29Å; L34-I38 PolarHBondContact O-N 3.5Å; L34-L72 HydrophobicContact CD1-CD1 4.45Å; L34-Y75 HydrophobicContact CD1-CE1 4.26Å; L34-L76 HydrophobicContact CD1-CD2 3.74Å; L34-L76 HydrophobicContact CD2-CD2 3.98Å; L34-V86 HydrophobicContact CD2-CB 4.39Å; L34-V86 HydrophobicContact CD2-CG1 3.79Å; L34-V86 HydrophobicContact CD2-CG2 3.96Å; L34-L89 HydrophobicContact CD2-CD1 4.1Å; L34-L89 HydrophobicContact CD2-CD2 4.3Å; L34-L89 HydrophobicContact CG-CD1 4.49Å |
| 35 | V | 90.5 | Very high | 94.4 | Very high | 90 Ų | 90 | 52.9 Ų | 52.9 | 55% | 0.545 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -64.4 | -43.9 | -179.9 | 179.4 | 0 | 0 | 0 | 0 | 110.6 | Y33 I38 Q39 | Y33-V35 PolarHBondContact O-N 3.17Å; V35-I38 PolarHBondContact O-N 3.41Å; V35-Q39 PolarHBondContact O-N 2.98Å |
| 36 | D | 93.4 | Very high | 94.3 | Very high | 86 Ų | 86 | 55.9 Ų | 55.9 | 46% | 0.46 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -64.8 | -41.5 | 176.3 | -61 | -41.8 | 0 | 0 | 0 | 111 | C28 Y33 I38 Q39 H40 | C28-D36 HydrophobicContact CB-CB 4.49Å; Y33-D36 PolarHBondContact O-N 2.95Å; D36-I38 VanDerWaalsContact C-N 3.33Å; D36-I38 PolarHBondContact O-N 3.3Å; D36-Q39 WeakPolarHBondContact O-CB 3.42Å; D36-Q39 PolarHBondContact O-N 3.43Å; D36-Q39 VanDerWaalsContact O-N 3.14Å; D36-H40 PolarHBondContact O-CD2 3.24Å; D36-H40 PolarHBondContact O-N 3.11Å |
| 37 | A | 95.2 | Very high | 94.2 | Very high | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -59.1 | -42.8 | 175 | 0 | 0 | 0 | 0 | 0 | 112.1 | M25 C28 L29 Y33 L34 Q39 H40 A41 | M25-A37 HydrophobicContact CG-CB 4.18Å; M25-A37 WeakPolarHBondContact CG-O 3.46Å; C28-A37 HydrophobicContact CB-CB 3.77Å; L29-A37 HydrophobicContact CD2-CB 3.41Å; L29-A37 VanDerWaalsContact CD2-CB 3.41Å; L29-A37 HydrophobicContact CG-CB 3.86Å; Y33-A37 WeakPolarHBondContact O-CB 3.29Å; Y33-A37 PolarHBondContact O-N 3.16Å; L34-A37 PolarHBondContact O-N 3.17Å; A37-Q39 VanDerWaalsContact C-N 3.34Å; A37-H40 PolarHBondContact O-N 3.31Å; A37-A41 WeakPolarHBondContact O-CB 3.47Å; A37-A41 PolarHBondContact O-N 3.37Å |
| 38 | I | 93.8 | Very high | 94.1 | Very high | 10 Ų | 10 | 53 Ų | 53 | 5% | 0.051 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -65.3 | -38.6 | 175.8 | -70.4 | 169.2 | 0 | 0 | 0 | 111.2 | L34 V35 D36 A41 A42 L89 V93 I96 L105 | L34-I38 HydrophobicContact CD1-CD1 4.11Å; L34-I38 HydrophobicContact CD1-CG1 4.3Å; L34-I38 HydrophobicContact CG-CD1 4.03Å; L34-I38 WeakPolarHBondContact O-CG1 3.29Å; L34-I38 PolarHBondContact O-N 3.5Å; V35-I38 PolarHBondContact O-N 3.41Å; D36-I38 VanDerWaalsContact C-N 3.33Å; D36-I38 PolarHBondContact O-N 3.3Å; I38-A41 WeakPolarHBondContact O-CB 3.12Å; I38-A41 PolarHBondContact O-N 2.83Å; I38-A42 WeakPolarHBondContact O-CB 3.28Å; I38-A42 PolarHBondContact O-N 3.31Å; I38-L89 HydrophobicContact CD1-CD1 3.2Å; I38-L89 HydrophobicContact CD1-CD2 4.05Å; I38-L89 HydrophobicContact CD1-CG 3.9Å; I38-V93 HydrophobicContact CG2-CG2 4.25Å; I38-I96 HydrophobicContact CG2-CD1 4.32Å; I38-L105 HydrophobicContact CG2-CD1 4.27Å |
| 39 | Q | 94.9 | Very high | 94 | Very high | 102 Ų | 102 | 57.1 Ų | 57.1 | 48% | 0.477 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -64.5 | -41.5 | 175.4 | -173.5 | 59.7 | 44.3 | 0 | 0 | 111.5 | V35 D36 A37 A42 N43 | V35-Q39 PolarHBondContact O-N 2.98Å; D36-Q39 WeakPolarHBondContact O-CB 3.42Å; D36-Q39 PolarHBondContact O-N 3.43Å; D36-Q39 VanDerWaalsContact O-N 3.14Å; A37-Q39 VanDerWaalsContact C-N 3.34Å; Q39-A42 PolarHBondContact O-N 2.95Å; Q39-N43 PolarHBondContact NE2-OD1 3.5Å; Q39-N43 VanDerWaalsContact NE2-OD1 3.16Å; Q39-N43 PolarHBondContact O-N 3.01Å; Q39-N43 PolarHBondContact O-ND2 2.95Å; Q39-N43 PolarHBondContact O-OD1 3.1Å |
| 40 | H | 96.3 | Very high | 93.6 | Very high | 42 Ų | 42 | 58.4 Ų | 58.4 | 19% | 0.194 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -64.6 | -39.7 | 173.6 | -71 | -65 | 0 | 0 | 0 | 112 | Y21 Q24 M25 D36 A37 A42 N43 M44 | Y21-H40 AromaticContact CD1-ND1 3.97Å; Q24-H40 HydrophobicContact CB-CB 4.41Å; Q24-H40 PolarHBondContact OE1-CE1 3.44Å; Q24-H40 PolarHBondContact OE1-ND1 3.05Å; M25-H40 HydrophobicContact CB-CB 3.97Å; D36-H40 PolarHBondContact O-CD2 3.24Å; D36-H40 PolarHBondContact O-N 3.11Å; A37-H40 PolarHBondContact O-N 3.31Å; H40-A42 VanDerWaalsContact C-N 3.34Å; H40-A42 PolarHBondContact O-N 3.32Å; H40-N43 PolarHBondContact O-N 3.33Å; H40-M44 WeakPolarHBondContact O-CB 3.35Å; H40-M44 PolarHBondContact O-N 3.39Å |
| 41 | A | 96.5 | Very high | 92.9 | Very high | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -62.8 | -40.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | M25 A37 I38 M44 L45 L72 L105 | M25-A41 HydrophobicContact CG-CB 4.4Å; M25-A41 HydrophobicContact SD-CB 3.63Å; A37-A41 WeakPolarHBondContact O-CB 3.47Å; A37-A41 PolarHBondContact O-N 3.37Å; I38-A41 WeakPolarHBondContact O-CB 3.12Å; I38-A41 PolarHBondContact O-N 2.83Å; A41-M44 WeakPolarHBondContact O-CB 3.21Å; A41-M44 PolarHBondContact O-N 3.43Å; A41-L45 WeakPolarHBondContact O-CB 3.04Å; A41-L45 WeakPolarHBondContact O-CG 3.47Å; A41-L45 PolarHBondContact O-N 2.89Å; A41-L72 HydrophobicContact CB-CD2 4.12Å; A41-L105 HydrophobicContact CB-CD2 3.86Å |
| 42 | A | 96.2 | Very high | 92.3 | Very high | 5 Ų | 5 | 55 Ų | 55 | 4% | 0.041 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -64.7 | -40.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | I38 Q39 H40 L45 M46 I96 L105 | I38-A42 WeakPolarHBondContact O-CB 3.28Å; I38-A42 PolarHBondContact O-N 3.31Å; Q39-A42 PolarHBondContact O-N 2.95Å; H40-A42 VanDerWaalsContact C-N 3.34Å; H40-A42 PolarHBondContact O-N 3.32Å; A42-L45 PolarHBondContact O-N 3.5Å; A42-M46 PolarHBondContact O-N 2.97Å; A42-I96 HydrophobicContact CB-CD1 3.94Å; A42-I96 HydrophobicContact CB-CG2 4.38Å; A42-L105 HydrophobicContact CB-CD1 3.83Å |
| 43 | N | 95.7 | Very high | 92.2 | Very high | 47 Ų | 47 | 48.6 Ų | 48.6 | 25% | 0.251 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -66.4 | -43 | 175.1 | -66.4 | -19.4 | 0 | 0 | 0 | 111.5 | Y21 Q39 H40 L45 M46 | Y21-N43 HydrophobicContact CD1-CB 3.8Å; Y21-N43 HydrophobicContact CD2-CB 4.2Å; Y21-N43 HydrophobicContact CE1-CB 3.73Å; Y21-N43 HydrophobicContact CE2-CB 4.12Å; Y21-N43 HydrophobicContact CG-CB 4.05Å; Q39-N43 PolarHBondContact NE2-OD1 3.5Å; Q39-N43 VanDerWaalsContact NE2-OD1 3.16Å; Q39-N43 PolarHBondContact O-N 3.01Å; Q39-N43 PolarHBondContact O-ND2 2.95Å; Q39-N43 PolarHBondContact O-OD1 3.1Å; H40-N43 PolarHBondContact O-N 3.33Å; N43-L45 VanDerWaalsContact C-N 3.27Å; N43-L45 PolarHBondContact O-N 3.33Å; N43-M46 VanDerWaalsContact O-CB 3.23Å; N43-M46 WeakPolarHBondContact O-CB 3.46Å; N43-M46 PolarHBondContact O-N 3.44Å |
| 44 | M | 96 | Very high | 91.9 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -54.8 | -44.6 | 172.5 | -179.9 | -173.4 | 69.3 | 0 | 0 | 111.5 | V18 A22 H40 A41 M46 E47 V65 K68 L69 | V18-M44 HydrophobicContact CB-CG 4.12Å; V18-M44 HydrophobicContact CG1-CG 3.77Å; V18-M44 HydrophobicContact CG1-SD 3.96Å; V18-M44 HydrophobicContact CG2-CG 4.03Å; A22-M44 HydrophobicContact CB-SD 3.87Å; H40-M44 WeakPolarHBondContact O-CB 3.35Å; H40-M44 PolarHBondContact O-N 3.39Å; A41-M44 WeakPolarHBondContact O-CB 3.21Å; A41-M44 PolarHBondContact O-N 3.43Å; M44-M46 PolarHBondContact O-N 3.49Å; M44-E47 PolarHBondContact O-N 3.4Å; M44-V65 HydrophobicContact CE-CG1 4.29Å; M44-K68 HydrophobicContact CE-CB 4Å; M44-K68 HydrophobicContact SD-CB 3.76Å; M44-K68 HydrophobicContact SD-CG 4.27Å; M44-L69 HydrophobicContact CE-CD2 3.99Å; M44-L69 HydrophobicContact CE-CG 4.23Å |
| 45 | L | 96.7 | Very high | 91.7 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 21% | 0.211 | C | C | . | . | G | 310 helix | trans | -70 | -9.8 | -179.7 | -78.1 | 164.1 | 0 | 0 | 0 | 114.3 | A41 A42 N43 E47 M48 V65 L69 P101 Y104 L105 | A41-L45 WeakPolarHBondContact O-CB 3.04Å; A41-L45 WeakPolarHBondContact O-CG 3.47Å; A41-L45 PolarHBondContact O-N 2.89Å; A42-L45 PolarHBondContact O-N 3.5Å; N43-L45 VanDerWaalsContact C-N 3.27Å; N43-L45 PolarHBondContact O-N 3.33Å; L45-E47 PolarHBondContact O-N 3.49Å; L45-M48 HydrophobicContact CD2-CG 4.12Å; L45-M48 WeakPolarHBondContact O-CB 3.43Å; L45-M48 PolarHBondContact O-N 3.06Å; L45-V65 HydrophobicContact CD2-CG1 3.41Å; L45-V65 VanDerWaalsContact CD2-CG1 3.41Å; L45-V65 HydrophobicContact CG-CG1 4.36Å; L45-L69 HydrophobicContact CD1-CD1 4.4Å; L45-L69 HydrophobicContact CD1-CD2 4.06Å; L45-L69 HydrophobicContact CD2-CD1 4.15Å; L45-P101 HydrophobicContact CB-CB 3.71Å; L45-P101 HydrophobicContact CB-CG 3.97Å; L45-P101 HydrophobicContact CD1-CB 4.43Å; L45-Y104 HydrophobicContact CD2-CD1 4.23Å; L45-Y104 HydrophobicContact CD2-CD2 3.93Å; L45-Y104 HydrophobicContact CD2-CG 3.7Å; L45-L105 HydrophobicContact CD1-CD1 4.15Å; L45-L105 HydrophobicContact CD1-CD2 4.16Å; L45-L105 HydrophobicContact CD1-CG 3.68Å |
| 46 | M | 95.1 | Very high | 91.5 | Very high | 63 Ų | 63 | 45 Ų | 45 | 31% | 0.31 | 21% | 0.212 | S | C | . | . | G | 310 helix | trans | -63 | -31 | 174.1 | -70.3 | -72.8 | -75.2 | 0 | 0 | 111.8 | A42 N43 M44 M48 R49 N98 P101 | A42-M46 PolarHBondContact O-N 2.97Å; N43-M46 VanDerWaalsContact O-CB 3.23Å; N43-M46 WeakPolarHBondContact O-CB 3.46Å; N43-M46 PolarHBondContact O-N 3.44Å; M44-M46 PolarHBondContact O-N 3.49Å; M46-M48 PolarHBondContact O-N 3.28Å; M46-R49 WeakPolarHBondContact O-CB 3.26Å; M46-R49 WeakPolarHBondContact O-CG 3.37Å; M46-R49 PolarHBondContact O-N 3.44Å; M46-N98 HydrophobicContact SD-CB 4Å; M46-N98 PolarHBondContact SD-ND2 3.31Å; M46-N98 VanDerWaalsContact SD-ND2 3.37Å; M46-P101 HydrophobicContact CG-CG 4.39Å; M46-P101 HydrophobicContact SD-CG 3.92Å |
| 47 | E | 94.1 | Very high | 91.3 | Very high | 44 Ų | 44 | 41.2 Ų | 41.2 | 21% | 0.206 | 19% | 0.193 | C | C | . | . | G | 310 helix | trans | -63.3 | -27.8 | 177.6 | -62.5 | -48.9 | 128.5 | 0 | 0 | 112.6 | C14 T17 V18 M44 L45 R49 N50 L61 | C14-E47 HydrophobicContact CB-CB 4.42Å; T17-E47 HydrophobicContact CG2-CG 4.01Å; V18-E47 HydrophobicContact CG2-CB 3.91Å; V18-E47 HydrophobicContact CG2-CG 3.92Å; M44-E47 PolarHBondContact O-N 3.4Å; L45-E47 PolarHBondContact O-N 3.49Å; E47-R49 PolarHBondContact O-N 3.14Å; E47-N50 VanDerWaalsContact O-CB 3.32Å; E47-N50 WeakPolarHBondContact O-CB 3.38Å; E47-N50 PolarHBondContact O-N 3.26Å; E47-L61 HydrophobicContact CB-CD2 4.31Å |
| 48 | M | 93.5 | Very high | 91.2 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 19% | 0.193 | C | C | . | . | G | 310 helix | trans | -65.4 | -10.9 | 174.3 | -63.6 | -63.2 | -77.6 | 0 | 0 | 113 | L45 M46 Y58 L61 Y62 V65 L100 Y104 | L45-M48 HydrophobicContact CD2-CG 4.12Å; L45-M48 WeakPolarHBondContact O-CB 3.43Å; L45-M48 PolarHBondContact O-N 3.06Å; M46-M48 PolarHBondContact O-N 3.28Å; M48-Y58 HydrophobicContact CE-CD1 4.5Å; M48-Y58 HydrophobicContact CE-CE1 3.58Å; M48-Y58 WeakPolarHBondContact CE-OH 3.44Å; M48-Y58 VanDerWaalsContact O-CE2 3.31Å; M48-Y58 WeakPolarHBondContact O-CE2 3.48Å; M48-Y58 PolarHBondContact O-OH 3.25Å; M48-L61 HydrophobicContact SD-CD2 3.91Å; M48-L61 HydrophobicContact SD-CG 3.84Å; M48-Y62 HydrophobicContact CE-CD2 3.93Å; M48-Y62 HydrophobicContact CE-CG 4.49Å; M48-V65 HydrophobicContact CG-CG1 4.04Å; M48-V65 HydrophobicContact CG-CG2 4.21Å; M48-V65 HydrophobicContact SD-CB 4.19Å; M48-V65 HydrophobicContact SD-CG1 4.27Å; M48-V65 HydrophobicContact SD-CG2 3.93Å; M48-L100 HydrophobicContact CB-CD2 3.8Å; M48-L100 WeakPolarHBondContact O-CD2 3.16Å; M48-Y104 HydrophobicContact CE-CE2 4.28Å; M48-Y104 WeakPolarHBondContact CE-OH 3.29Å |
| 49 | R | 92.8 | Very high | 91.2 | Very high | 105 Ų | 105 | 46.1 Ų | 46.1 | 40% | 0.396 | 21% | 0.212 | S | C | . | . | G | 310 helix | trans | -88.2 | 0.4 | 174 | -56.6 | 176.7 | 61.3 | -153.4 | -1.3 | 113.2 | M46 E47 Y51 N98 L100 R140 | M46-R49 WeakPolarHBondContact O-CB 3.26Å; M46-R49 WeakPolarHBondContact O-CG 3.37Å; M46-R49 PolarHBondContact O-N 3.44Å; E47-R49 PolarHBondContact O-N 3.14Å; R49-Y51 PolarHBondContact O-N 2.58Å; R49-N98 PolarHBondContact NH1-OD1 3.38Å; R49-L100 HydrophobicContact CG-CB 4.28Å; R49-L100 HydrophobicContact CG-CD2 3.92Å; R49-R140 VanDerWaalsContact C-NH2 3.29Å; R49-R140 PolarHBondContact O-NH1 3.43Å; R49-R140 PolarHBondContact O-NH2 3.43Å |
| 50 | N | 85.2 | Confident | 91.1 | Very high | 34 Ų | 34 | 45.2 Ų | 45.2 | 18% | 0.182 | 21% | 0.207 | C | C | . | . | trans | -64.6 | 126.1 | 175.5 | -162.9 | -25.6 | 0 | 0 | 0 | 109.7 | C14 E47 S52 L53 R140 | C14-N50 PolarHBondContact SG-ND2 3.08Å; E47-N50 VanDerWaalsContact O-CB 3.32Å; E47-N50 WeakPolarHBondContact O-CB 3.38Å; E47-N50 PolarHBondContact O-N 3.26Å; N50-S52 VanDerWaalsContact OD1-CB 3.29Å; N50-S52 WeakPolarHBondContact OD1-CB 3.14Å; N50-S52 PolarHBondContact OD1-N 3.3Å; N50-L53 HydrophobicContact CB-CD1 4.11Å; N50-L53 HydrophobicContact CB-CG 4.26Å; N50-R140 PolarHBondContact O-NH2 3.05Å | ||
| 51 | Y | 78.1 | Confident | 91 | Very high | 190 Ų | 190 | 43.2 Ų | 43.2 | 75% | 0.745 | 20% | 0.198 | S | C | * | . | S | Bend | trans | -95.1 | -12.5 | 179.4 | 55.8 | -89.3 | 0 | 0 | 0 | 112.1 | R49 L53 | R49-Y51 PolarHBondContact O-N 2.58Å; Y51-L53 VanDerWaalsContact C-N 3.34Å |
| 52 | S | 82.6 | Confident | 91 | Very high | 32 Ų | 32 | 43.4 Ų | 43.4 | 22% | 0.224 | 20% | 0.199 | C | C | . | . | S | Bend | trans | -80.1 | -19 | -175.1 | -57.6 | 0 | 0 | 0 | 0 | 112.3 | Q7 N50 | Q7-S52 PolarHBondContact NE2-O 2.95Å; N50-S52 VanDerWaalsContact OD1-CB 3.29Å; N50-S52 WeakPolarHBondContact OD1-CB 3.14Å; N50-S52 PolarHBondContact OD1-N 3.3Å |
| 53 | L | 87.3 | Confident | 90.9 | Very high | 13 Ų | 13 | 46.9 Ų | 46.9 | 7% | 0.068 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -73.5 | 132 | -179.2 | -63.5 | 174.6 | 0 | 0 | 0 | 111.6 | L10 L11 N50 Y51 A57 Y58 L61 | L10-L53 HydrophobicContact CB-CD2 4.14Å; L11-L53 HydrophobicContact CB-CD2 4.31Å; N50-L53 HydrophobicContact CB-CD1 4.11Å; N50-L53 HydrophobicContact CB-CG 4.26Å; Y51-L53 VanDerWaalsContact C-N 3.34Å; L53-A57 HydrophobicContact CB-CB 4.33Å; L53-A57 HydrophobicContact CD2-CB 4.07Å; L53-Y58 HydrophobicContact CB-CD2 4.45Å; L53-Y58 HydrophobicContact CD1-CD2 4.47Å; L53-L61 HydrophobicContact CD1-CD2 3.63Å |
| 54 | S | 85.3 | Confident | 90.9 | Very high | 30 Ų | 30 | 46.5 Ų | 46.5 | 21% | 0.21 | 22% | 0.215 | C | C | . | . | trans | -61.2 | 156.2 | 166.6 | 63.6 | 0 | 0 | 0 | 0 | 110.5 | Q7 K56 A57 Y58 | Q7-S54 PolarHBondContact OE1-OG 3.3Å; S54-K56 PolarHBondContact O-N 2.95Å; S54-K56 VanDerWaalsContact O-N 3.16Å; S54-A57 PolarHBondContact O-N 2.77Å; S54-A57 VanDerWaalsContact O-N 3.15Å; S54-A57 WeakPolarHBondContact OG-CB 2.83Å; S54-A57 PolarHBondContact OG-N 3.23Å; S54-Y58 WeakPolarHBondContact O-CB 3.38Å; S54-Y58 PolarHBondContact O-N 3.24Å | ||
| 55 | P | 86.5 | Confident | 90.9 | Very high | 10 Ų | 10 | 46.5 Ų | 46.5 | 7% | 0.065 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -57.2 | -32.8 | -179.7 | -27.1 | 36.1 | 0 | 0 | 0 | 114.5 | Y59 T139 M240 E255 L259 | P55-Y59 PolarHBondContact O-N 2.97Å; P55-T139 HydrophobicContact CB-CG2 4.38Å; P55-M240 HydrophobicContact CG-CE 4.24Å; P55-E255 WeakPolarHBondContact CD-OE2 3.43Å; P55-E255 HydrophobicContact CG-CB 4.18Å; P55-E255 HydrophobicContact CG-CG 4.33Å; P55-L259 HydrophobicContact CB-CD1 3.99Å; P55-L259 HydrophobicContact CB-CD2 4.49Å; P55-L259 HydrophobicContact CB-CG 4.48Å |
| 56 | K | 86.9 | Confident | 90.8 | Very high | 131 Ų | 131 | 46.8 Ų | 46.8 | 57% | 0.57 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -67.5 | -50.4 | 175.3 | -172 | -177.6 | 176.1 | -172.5 | 0 | 111.9 | S54 Y58 Y59 E60 | S54-K56 PolarHBondContact O-N 2.95Å; S54-K56 VanDerWaalsContact O-N 3.16Å; K56-Y58 VanDerWaalsContact C-N 3.25Å; K56-Y58 PolarHBondContact O-N 3.02Å; K56-Y59 WeakPolarHBondContact O-CB 3.44Å; K56-Y59 PolarHBondContact O-N 3.21Å; K56-Y59 VanDerWaalsContact O-N 3.09Å; K56-E60 PolarHBondContact O-N 3.13Å; K56-E60 VanDerWaalsContact O-N 3.14Å |
| 57 | A | 89.5 | Confident | 90.8 | Very high | 7 Ų | 7 | 47.8 Ų | 47.8 | 6% | 0.058 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61.9 | -37.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | L11 L53 S54 Y59 E60 L61 | L11-A57 HydrophobicContact CB-CB 4.35Å; L11-A57 HydrophobicContact CD1-CB 4.3Å; L11-A57 VanDerWaalsContact CD1-O 3.3Å; L11-A57 WeakPolarHBondContact CD1-O 3.48Å; L11-A57 HydrophobicContact CD2-CB 4.06Å; L11-A57 HydrophobicContact CG-CB 4.47Å; L53-A57 HydrophobicContact CB-CB 4.33Å; L53-A57 HydrophobicContact CD2-CB 4.07Å; S54-A57 PolarHBondContact O-N 2.77Å; S54-A57 VanDerWaalsContact O-N 3.15Å; S54-A57 WeakPolarHBondContact OG-CB 2.83Å; S54-A57 PolarHBondContact OG-N 3.23Å; A57-Y59 VanDerWaalsContact C-N 3.31Å; A57-Y59 PolarHBondContact O-N 3.04Å; A57-E60 PolarHBondContact O-N 2.97Å; A57-L61 PolarHBondContact O-N 2.67Å |
| 58 | Y | 93.3 | Very high | 90.9 | Very high | 3 Ų | 3 | 48 Ų | 48 | 1% | 0.012 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.7 | -37.3 | 174.4 | -162.9 | -81.7 | 0 | 0 | 0 | 112.1 | M48 L53 S54 K56 Y62 T139 R140 F143 | M48-Y58 HydrophobicContact CE-CD1 4.5Å; M48-Y58 HydrophobicContact CE-CE1 3.58Å; M48-Y58 WeakPolarHBondContact CE-OH 3.44Å; M48-Y58 VanDerWaalsContact O-CE2 3.31Å; M48-Y58 WeakPolarHBondContact O-CE2 3.48Å; M48-Y58 PolarHBondContact O-OH 3.25Å; L53-Y58 HydrophobicContact CB-CD2 4.45Å; L53-Y58 HydrophobicContact CD1-CD2 4.47Å; S54-Y58 WeakPolarHBondContact O-CB 3.38Å; S54-Y58 PolarHBondContact O-N 3.24Å; K56-Y58 VanDerWaalsContact C-N 3.25Å; K56-Y58 PolarHBondContact O-N 3.02Å; Y58-Y62 WeakPolarHBondContact O-CB 3.3Å; Y58-Y62 PolarHBondContact O-N 3.44Å; Y58-T139 HydrophobicContact CD1-CG2 4.08Å; Y58-T139 HydrophobicContact CG-CG2 4.01Å; Y58-R140 HydrophobicContact CE2-CG 4.04Å; Y58-R140 WeakPolarHBondContact OH-CG 3.38Å; Y58-F143 HydrophobicContact CD1-CB 4.33Å; Y58-F143 AromaticContact CD1-CD2 3.19Å; Y58-F143 HydrophobicContact CD1-CD2 3.19Å; Y58-F143 AromaticContact CD1-CE2 3.55Å; Y58-F143 HydrophobicContact CD1-CE2 3.55Å; Y58-F143 AromaticContact CD1-CG 3.81Å; Y58-F143 HydrophobicContact CD1-CG 3.81Å; Y58-F143 HydrophobicContact CD1-CZ 4.43Å; Y58-F143 HydrophobicContact CE1-CB 3.75Å; Y58-F143 AromaticContact CE1-CD2 3.44Å; Y58-F143 HydrophobicContact CE1-CD2 3.44Å; Y58-F143 VanDerWaalsContact CE1-CD2 3.44Å; Y58-F143 HydrophobicContact CE1-CE2 4.27Å; Y58-F143 AromaticContact CE1-CG 3.75Å; Y58-F143 HydrophobicContact CE1-CG 3.75Å; Y58-F143 HydrophobicContact CG-CD2 4.32Å; Y58-F143 HydrophobicContact CG-CE2 4.4Å |
| 59 | Y | 92.5 | Very high | 91 | Very high | 111 Ų | 111 | 48 Ų | 48 | 44% | 0.435 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -64.4 | -41.9 | 174.7 | 178.9 | -123.1 | 0 | 0 | 0 | 112.3 | P55 K56 A57 Y62 I63 F143 | P55-Y59 PolarHBondContact O-N 2.97Å; K56-Y59 WeakPolarHBondContact O-CB 3.44Å; K56-Y59 PolarHBondContact O-N 3.21Å; K56-Y59 VanDerWaalsContact O-N 3.09Å; A57-Y59 VanDerWaalsContact C-N 3.31Å; A57-Y59 PolarHBondContact O-N 3.04Å; Y59-Y62 HydrophobicContact CD2-CD1 4.16Å; Y59-Y62 HydrophobicContact CE2-CD1 4.36Å; Y59-Y62 WeakPolarHBondContact O-CB 3.48Å; Y59-Y62 PolarHBondContact O-N 3.13Å; Y59-I63 HydrophobicContact CD1-CD1 3.99Å; Y59-I63 HydrophobicContact CD2-CD1 4.37Å; Y59-I63 HydrophobicContact CD2-CG1 4.32Å; Y59-I63 HydrophobicContact CE1-CD1 3.56Å; Y59-I63 HydrophobicContact CE1-CG1 4.43Å; Y59-I63 HydrophobicContact CE2-CD1 4.01Å; Y59-I63 HydrophobicContact CE2-CG1 3.99Å; Y59-I63 HydrophobicContact CG-CD1 4.4Å; Y59-I63 WeakPolarHBondContact O-CG1 3.47Å; Y59-I63 PolarHBondContact O-N 2.78Å; Y59-F143 AromaticContact CD2-CE1 3.54Å; Y59-F143 HydrophobicContact CD2-CE1 3.54Å; Y59-F143 HydrophobicContact CD2-CZ 4.05Å; Y59-F143 HydrophobicContact CE2-CE1 4.42Å; Y59-F143 HydrophobicContact CG-CE1 4.29Å; Y59-F143 HydrophobicContact CG-CZ 4.36Å |
| 60 | E | 92.8 | Very high | 91.1 | Very high | 82 Ų | 82 | 48.1 Ų | 48.1 | 38% | 0.383 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -63.8 | -44.5 | 176.7 | -68.7 | 179.3 | -154 | 0 | 0 | 111.5 | L11 K56 A57 Y62 I63 V64 | L11-E60 HydrophobicContact CD2-CB 4.1Å; L11-E60 VanDerWaalsContact CD2-OE2 3.29Å; L11-E60 WeakPolarHBondContact CD2-OE2 3.43Å; K56-E60 PolarHBondContact O-N 3.13Å; K56-E60 VanDerWaalsContact O-N 3.14Å; A57-E60 PolarHBondContact O-N 2.97Å; E60-Y62 VanDerWaalsContact C-N 3.35Å; E60-Y62 PolarHBondContact O-N 3.46Å; E60-I63 PolarHBondContact O-N 3.42Å; E60-V64 PolarHBondContact O-N 3.4Å |
| 61 | L | 94.9 | Very high | 91.5 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -59.6 | -45.4 | 172 | -177.2 | 63.8 | 0 | 0 | 0 | 111.6 | L11 C14 L15 V18 E47 M48 L53 A57 I63 V64 V65 | L11-L61 HydrophobicContact CD1-CB 4.04Å; C14-L61 HydrophobicContact CB-CD1 4.05Å; C14-L61 HydrophobicContact CB-CD2 4.26Å; L15-L61 HydrophobicContact CD2-CD1 3.91Å; L15-L61 HydrophobicContact CG-CD1 4.46Å; V18-L61 HydrophobicContact CG2-CD1 3.76Å; E47-L61 HydrophobicContact CB-CD2 4.31Å; M48-L61 HydrophobicContact SD-CD2 3.91Å; M48-L61 HydrophobicContact SD-CG 3.84Å; L53-L61 HydrophobicContact CD1-CD2 3.63Å; A57-L61 PolarHBondContact O-N 2.67Å; L61-I63 PolarHBondContact O-N 3.4Å; L61-V64 PolarHBondContact O-N 3.39Å; L61-V65 HydrophobicContact CD1-CG2 4.16Å; L61-V65 HydrophobicContact CG-CG2 4.28Å; L61-V65 WeakPolarHBondContact O-CB 3.47Å; L61-V65 WeakPolarHBondContact O-CG2 3.43Å; L61-V65 PolarHBondContact O-N 3.24Å |
| 62 | Y | 95.3 | Very high | 92.2 | Very high | 4 Ų | 4 | 40 Ų | 40 | 2% | 0.016 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -57.4 | -44.4 | 178.8 | 167.6 | -90.4 | 0 | 0 | 0 | 112.3 | M48 Y58 Y59 E60 V64 V65 T66 Y104 F143 Y147 Q150 | M48-Y62 HydrophobicContact CE-CD2 3.93Å; M48-Y62 HydrophobicContact CE-CG 4.49Å; Y58-Y62 WeakPolarHBondContact O-CB 3.3Å; Y58-Y62 PolarHBondContact O-N 3.44Å; Y59-Y62 HydrophobicContact CD2-CD1 4.16Å; Y59-Y62 HydrophobicContact CE2-CD1 4.36Å; Y59-Y62 WeakPolarHBondContact O-CB 3.48Å; Y59-Y62 PolarHBondContact O-N 3.13Å; E60-Y62 VanDerWaalsContact C-N 3.35Å; E60-Y62 PolarHBondContact O-N 3.46Å; Y62-V64 PolarHBondContact O-N 3.43Å; Y62-V65 PolarHBondContact O-N 3.21Å; Y62-T66 HydrophobicContact CD1-CG2 4.49Å; Y62-T66 HydrophobicContact CD2-CG2 3.87Å; Y62-T66 HydrophobicContact CE1-CG2 4.17Å; Y62-T66 HydrophobicContact CE2-CG2 3.54Å; Y62-T66 HydrophobicContact CG-CG2 4.34Å; Y62-T66 WeakPolarHBondContact O-CB 3.37Å; Y62-T66 VanDerWaalsContact O-CG2 3.3Å; Y62-T66 WeakPolarHBondContact O-CG2 3.33Å; Y62-T66 PolarHBondContact O-N 2.8Å; Y62-T66 PolarHBondContact O-OG1 3.33Å; Y62-Y104 HydrophobicContact CE2-CE1 4.34Å; Y62-F143 AromaticContact CD1-CD1 3.94Å; Y62-F143 HydrophobicContact CD1-CD1 3.94Å; Y62-F143 HydrophobicContact CD1-CE1 4.3Å; Y62-F143 HydrophobicContact CD2-CB 3.77Å; Y62-F143 AromaticContact CD2-CD1 3.7Å; Y62-F143 HydrophobicContact CD2-CD1 3.7Å; Y62-F143 HydrophobicContact CD2-CG 4.05Å; Y62-F143 HydrophobicContact CE1-CD1 4.31Å; Y62-F143 HydrophobicContact CE2-CB 4.03Å; Y62-F143 HydrophobicContact CE2-CD1 4.04Å; Y62-F143 VanDerWaalsContact CE2-O 3.29Å; Y62-F143 WeakPolarHBondContact CE2-O 3.36Å; Y62-F143 HydrophobicContact CG-CB 4.49Å; Y62-F143 AromaticContact CG-CD1 3.64Å; Y62-F143 HydrophobicContact CG-CD1 3.64Å; Y62-F143 HydrophobicContact CG-CE1 4.27Å; Y62-F143 HydrophobicContact CG-CG 4.29Å; Y62-Y147 VanDerWaalsContact OH-CA 3.32Å; Y62-Y147 WeakPolarHBondContact OH-CA 3.45Å; Y62-Y147 PolarHBondContact OH-N 3.4Å; Y62-Q150 PolarHBondContact OH-OE1 3.36Å |
| 63 | I | 94.7 | Very high | 92.7 | Very high | 78 Ų | 78 | 39.3 Ų | 39.3 | 40% | 0.4 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -58.8 | -49.8 | 178.7 | -70.2 | 164.8 | 0 | 0 | 0 | 110.1 | Y59 E60 L61 T66 D67 | Y59-I63 HydrophobicContact CD1-CD1 3.99Å; Y59-I63 HydrophobicContact CD2-CD1 4.37Å; Y59-I63 HydrophobicContact CD2-CG1 4.32Å; Y59-I63 HydrophobicContact CE1-CD1 3.56Å; Y59-I63 HydrophobicContact CE1-CG1 4.43Å; Y59-I63 HydrophobicContact CE2-CD1 4.01Å; Y59-I63 HydrophobicContact CE2-CG1 3.99Å; Y59-I63 HydrophobicContact CG-CD1 4.4Å; Y59-I63 WeakPolarHBondContact O-CG1 3.47Å; Y59-I63 PolarHBondContact O-N 2.78Å; E60-I63 PolarHBondContact O-N 3.42Å; L61-I63 PolarHBondContact O-N 3.4Å; I63-T66 PolarHBondContact O-N 3.11Å; I63-T66 PolarHBondContact O-OG1 3.36Å; I63-D67 WeakPolarHBondContact O-CB 3.37Å; I63-D67 PolarHBondContact O-N 3.27Å |
| 64 | V | 95.8 | Very high | 93 | Very high | 40 Ų | 40 | 41.5 Ų | 41.5 | 24% | 0.242 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -65.1 | -45.8 | -177.5 | 179 | 0 | 0 | 0 | 0 | 111 | L15 V18 E60 L61 Y62 T66 D67 K68 | L15-V64 HydrophobicContact CD2-CB 3.95Å; L15-V64 HydrophobicContact CD2-CG1 4.23Å; L15-V64 HydrophobicContact CD2-CG2 3.77Å; V18-V64 HydrophobicContact CG1-CG1 3.92Å; E60-V64 PolarHBondContact O-N 3.4Å; L61-V64 PolarHBondContact O-N 3.39Å; Y62-V64 PolarHBondContact O-N 3.43Å; V64-T66 PolarHBondContact O-N 3.49Å; V64-D67 PolarHBondContact O-N 3.33Å; V64-K68 WeakPolarHBondContact O-CG 3.48Å; V64-K68 PolarHBondContact O-N 3.27Å; V64-K68 VanDerWaalsContact O-N 3.12Å |
| 65 | V | 96.2 | Very high | 93.4 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61.4 | -46.1 | 179.3 | 167 | 0 | 0 | 0 | 0 | 111.3 | V18 M44 L45 M48 L61 Y62 K68 L69 | V18-V65 HydrophobicContact CG1-CG2 3.91Å; V18-V65 HydrophobicContact CG2-CG2 3.77Å; M44-V65 HydrophobicContact CE-CG1 4.29Å; L45-V65 HydrophobicContact CD2-CG1 3.41Å; L45-V65 VanDerWaalsContact CD2-CG1 3.41Å; L45-V65 HydrophobicContact CG-CG1 4.36Å; M48-V65 HydrophobicContact CG-CG1 4.04Å; M48-V65 HydrophobicContact CG-CG2 4.21Å; M48-V65 HydrophobicContact SD-CB 4.19Å; M48-V65 HydrophobicContact SD-CG1 4.27Å; M48-V65 HydrophobicContact SD-CG2 3.93Å; L61-V65 HydrophobicContact CD1-CG2 4.16Å; L61-V65 HydrophobicContact CG-CG2 4.28Å; L61-V65 WeakPolarHBondContact O-CB 3.47Å; L61-V65 WeakPolarHBondContact O-CG2 3.43Å; L61-V65 PolarHBondContact O-N 3.24Å; Y62-V65 PolarHBondContact O-N 3.21Å; V65-K68 PolarHBondContact O-N 3Å; V65-L69 HydrophobicContact CG1-CD1 4.5Å; V65-L69 WeakPolarHBondContact O-CG 3.3Å; V65-L69 PolarHBondContact O-N 3.35Å |
| 66 | T | 95.1 | Very high | 93.6 | Very high | 5 Ų | 5 | 41.2 Ų | 41.2 | 3% | 0.031 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -71.3 | -31.7 | -178.2 | 55.6 | 0 | 0 | 0 | 0 | 113 | Y62 I63 V64 L69 R70 Y104 Y147 | Y62-T66 HydrophobicContact CD1-CG2 4.49Å; Y62-T66 HydrophobicContact CD2-CG2 3.87Å; Y62-T66 HydrophobicContact CE1-CG2 4.17Å; Y62-T66 HydrophobicContact CE2-CG2 3.54Å; Y62-T66 HydrophobicContact CG-CG2 4.34Å; Y62-T66 WeakPolarHBondContact O-CB 3.37Å; Y62-T66 VanDerWaalsContact O-CG2 3.3Å; Y62-T66 WeakPolarHBondContact O-CG2 3.33Å; Y62-T66 PolarHBondContact O-N 2.8Å; Y62-T66 PolarHBondContact O-OG1 3.33Å; I63-T66 PolarHBondContact O-N 3.11Å; I63-T66 PolarHBondContact O-OG1 3.36Å; V64-T66 PolarHBondContact O-N 3.49Å; T66-L69 PolarHBondContact O-N 3.47Å; T66-R70 WeakPolarHBondContact O-CG 3.46Å; T66-R70 PolarHBondContact O-N 3.05Å; T66-R70 VanDerWaalsContact O-N 3.1Å; T66-Y104 HydrophobicContact CG2-CE1 4.3Å; T66-Y147 HydrophobicContact CG2-CD2 3.34Å; T66-Y147 HydrophobicContact CG2-CE2 3.73Å; T66-Y147 HydrophobicContact CG2-CG 4.07Å |
| 67 | D | 95.1 | Very high | 93.7 | Very high | 84 Ų | 84 | 36.2 Ų | 36.2 | 45% | 0.449 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -59.9 | -46 | 169.7 | -173.8 | 61.4 | 0 | 0 | 0 | 111.2 | I63 V64 L69 R70 T71 | I63-D67 WeakPolarHBondContact O-CB 3.37Å; I63-D67 PolarHBondContact O-N 3.27Å; V64-D67 PolarHBondContact O-N 3.33Å; D67-L69 PolarHBondContact O-N 2.84Å; D67-R70 WeakPolarHBondContact O-CB 3.33Å; D67-R70 PolarHBondContact O-N 3.39Å; D67-R70 VanDerWaalsContact O-N 3.1Å; D67-T71 PolarHBondContact O-N 3.4Å |
| 68 | K | 95.6 | Very high | 93.8 | Very high | 48 Ų | 48 | 42 Ų | 42 | 21% | 0.209 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -65.4 | -35.8 | 176.1 | -64 | -52 | -169.5 | 175.6 | 0 | 113.5 | A22 M25 E26 M44 V64 V65 R70 T71 L72 | A22-K68 HydrophobicContact CB-CB 4.21Å; A22-K68 HydrophobicContact CB-CD 3.89Å; A22-K68 HydrophobicContact CB-CG 3.68Å; M25-K68 HydrophobicContact CE-CB 4.47Å; M25-K68 WeakPolarHBondContact CE-O 3.49Å; E26-K68 IonicContact OE1-NZ 2.73Å; E26-K68 PolarHBondContact OE1-NZ 2.82Å; E26-K68 IonicContact OE2-NZ 2.86Å; M44-K68 HydrophobicContact CE-CB 4Å; M44-K68 HydrophobicContact SD-CB 3.76Å; M44-K68 HydrophobicContact SD-CG 4.27Å; V64-K68 WeakPolarHBondContact O-CG 3.48Å; V64-K68 PolarHBondContact O-N 3.27Å; V64-K68 VanDerWaalsContact O-N 3.12Å; V65-K68 PolarHBondContact O-N 3Å; K68-R70 VanDerWaalsContact C-N 3.28Å; K68-R70 PolarHBondContact O-N 3.16Å; K68-T71 WeakPolarHBondContact O-CB 3.43Å; K68-T71 PolarHBondContact O-N 3.39Å; K68-L72 PolarHBondContact O-N 3.43Å |
| 69 | L | 96.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -65.4 | -29.7 | 172.6 | -69.2 | 179.9 | 0 | 0 | 0 | 113.1 | M44 L45 V65 T66 D67 T71 L72 E73 Y104 L105 Y147 | M44-L69 HydrophobicContact CE-CD2 3.99Å; M44-L69 HydrophobicContact CE-CG 4.23Å; L45-L69 HydrophobicContact CD1-CD1 4.4Å; L45-L69 HydrophobicContact CD1-CD2 4.06Å; L45-L69 HydrophobicContact CD2-CD1 4.15Å; V65-L69 HydrophobicContact CG1-CD1 4.5Å; V65-L69 WeakPolarHBondContact O-CG 3.3Å; V65-L69 PolarHBondContact O-N 3.35Å; T66-L69 PolarHBondContact O-N 3.47Å; D67-L69 PolarHBondContact O-N 2.84Å; L69-T71 VanDerWaalsContact C-N 3.3Å; L69-T71 PolarHBondContact O-N 3.45Å; L69-L72 WeakPolarHBondContact O-CB 3.37Å; L69-L72 PolarHBondContact O-N 3.16Å; L69-E73 PolarHBondContact O-N 3.07Å; L69-Y104 HydrophobicContact CD1-CD1 3.89Å; L69-Y104 HydrophobicContact CD1-CG 4.37Å; L69-L105 HydrophobicContact CD2-CD2 4.05Å; L69-Y147 WeakPolarHBondContact CB-OH 3.03Å; L69-Y147 HydrophobicContact CD1-CE1 4.02Å; L69-Y147 HydrophobicContact CD1-CE2 4.44Å |
| 70 | R | 94 | Very high | 93.3 | Very high | 109 Ų | 109 | 39 Ų | 39 | 41% | 0.411 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -67.1 | -32.5 | 174 | -70 | 170.6 | -176 | 173.1 | 3.8 | 112 | T66 D67 K68 L72 E73 S74 | T66-R70 WeakPolarHBondContact O-CG 3.46Å; T66-R70 PolarHBondContact O-N 3.05Å; T66-R70 VanDerWaalsContact O-N 3.1Å; D67-R70 WeakPolarHBondContact O-CB 3.33Å; D67-R70 PolarHBondContact O-N 3.39Å; D67-R70 VanDerWaalsContact O-N 3.1Å; K68-R70 VanDerWaalsContact C-N 3.28Å; K68-R70 PolarHBondContact O-N 3.16Å; R70-L72 VanDerWaalsContact C-N 3.34Å; R70-E73 PolarHBondContact O-N 3.15Å; R70-S74 WeakPolarHBondContact O-CB 3.36Å; R70-S74 PolarHBondContact O-N 2.82Å; R70-S74 PolarHBondContact O-OG 3.38Å |
| 71 | T | 93.5 | Very high | 93 | Very high | 54 Ų | 54 | 43.1 Ų | 43.1 | 33% | 0.331 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -60 | -46.1 | 171.6 | -51.5 | 0 | 0 | 0 | 0 | 111 | E26 D67 K68 L69 S74 Y75 | E26-T71 HydrophobicContact CG-CG2 4.23Å; D67-T71 PolarHBondContact O-N 3.4Å; K68-T71 WeakPolarHBondContact O-CB 3.43Å; K68-T71 PolarHBondContact O-N 3.39Å; L69-T71 VanDerWaalsContact C-N 3.3Å; L69-T71 PolarHBondContact O-N 3.45Å; T71-S74 PolarHBondContact O-N 3.2Å; T71-Y75 WeakPolarHBondContact O-CB 3.46Å; T71-Y75 PolarHBondContact O-N 3.37Å |
| 72 | L | 94.2 | Very high | 92.7 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -62 | -45.7 | 175.8 | 178.8 | 62.8 | 0 | 0 | 0 | 111.7 | M25 L29 L34 A41 K68 L69 R70 S74 Y75 L76 L105 | M25-L72 HydrophobicContact SD-CB 4.15Å; M25-L72 HydrophobicContact SD-CD2 4.48Å; L29-L72 HydrophobicContact CD1-CD1 4.18Å; L29-L72 HydrophobicContact CD2-CD1 3.79Å; L34-L72 HydrophobicContact CD1-CD1 4.45Å; A41-L72 HydrophobicContact CB-CD2 4.12Å; K68-L72 PolarHBondContact O-N 3.43Å; L69-L72 WeakPolarHBondContact O-CB 3.37Å; L69-L72 PolarHBondContact O-N 3.16Å; R70-L72 VanDerWaalsContact C-N 3.34Å; L72-S74 VanDerWaalsContact C-N 3.33Å; L72-S74 PolarHBondContact O-N 2.94Å; L72-Y75 PolarHBondContact O-N 3.3Å; L72-L76 HydrophobicContact CG-CD1 4.42Å; L72-L76 VanDerWaalsContact O-CG 3.32Å; L72-L76 WeakPolarHBondContact O-CG 3.45Å; L72-L76 PolarHBondContact O-N 3.32Å; L72-L105 HydrophobicContact CD2-CD2 3.81Å |
| 73 | E | 93.1 | Very high | 92.1 | Very high | 17 Ų | 17 | 49.6 Ų | 49.6 | 8% | 0.079 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -56.9 | -46.5 | 175.4 | -170.7 | -165.7 | 144.5 | 0 | 0 | 111.8 | L69 R70 L76 I77 T108 K115 | L69-E73 PolarHBondContact O-N 3.07Å; R70-E73 PolarHBondContact O-N 3.15Å; E73-L76 PolarHBondContact O-N 3.31Å; E73-I77 HydrophobicContact CG-CD1 4.07Å; E73-I77 WeakPolarHBondContact O-CG1 3.5Å; E73-I77 PolarHBondContact O-N 3.39Å; E73-T108 HydrophobicContact CB-CG2 3.82Å; E73-T108 HydrophobicContact CG-CG2 4.45Å; E73-K115 IonicContact OE1-NZ 3.59Å; E73-K115 PolarHBondContact OE1-NZ 3.45Å |
| 74 | S | 92.5 | Very high | 91.5 | Very high | 59 Ų | 59 | 52 Ų | 52 | 41% | 0.413 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -65.3 | -43.2 | -176.6 | -57.1 | 0 | 0 | 0 | 0 | 110.9 | R70 T71 L72 L76 I77 E78 | R70-S74 WeakPolarHBondContact O-CB 3.36Å; R70-S74 PolarHBondContact O-N 2.82Å; R70-S74 PolarHBondContact O-OG 3.38Å; T71-S74 PolarHBondContact O-N 3.2Å; L72-S74 VanDerWaalsContact C-N 3.33Å; L72-S74 PolarHBondContact O-N 2.94Å; S74-L76 PolarHBondContact O-N 3.33Å; S74-I77 PolarHBondContact O-N 3.39Å; S74-E78 WeakPolarHBondContact O-CG 3.32Å; S74-E78 PolarHBondContact O-N 3.15Å |
| 75 | Y | 93.6 | Very high | 90.7 | Very high | 32 Ų | 32 | 56 Ų | 56 | 13% | 0.125 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -58 | -45.6 | 173 | 176.7 | -90.3 | 0 | 0 | 0 | 112.4 | L29 R32 L34 T71 L72 I77 E78 E79 | L29-Y75 HydrophobicContact CB-CD2 3.86Å; L29-Y75 HydrophobicContact CB-CE2 3.88Å; L29-Y75 HydrophobicContact CB-CG 4.17Å; L29-Y75 HydrophobicContact CD1-CG 4.18Å; L29-Y75 HydrophobicContact CD2-CD1 3.54Å; L29-Y75 HydrophobicContact CD2-CD2 4.4Å; L29-Y75 HydrophobicContact CD2-CE1 3.67Å; L29-Y75 HydrophobicContact CD2-CG 3.91Å; L29-Y75 HydrophobicContact CG-CD1 4.4Å; L29-Y75 HydrophobicContact CG-CD2 4.49Å; L29-Y75 HydrophobicContact CG-CG 4.29Å; L29-Y75 WeakPolarHBondContact O-CE2 3.5Å; L29-Y75 PolarHBondContact O-OH 3.27Å; L29-Y75 VanDerWaalsContact O-OH 3.07Å; R32-Y75 WeakPolarHBondContact CA-OH 3.35Å; L34-Y75 HydrophobicContact CD1-CE1 4.26Å; T71-Y75 WeakPolarHBondContact O-CB 3.46Å; T71-Y75 PolarHBondContact O-N 3.37Å; L72-Y75 PolarHBondContact O-N 3.3Å; Y75-I77 VanDerWaalsContact C-N 3.31Å; Y75-I77 PolarHBondContact O-N 3.02Å; Y75-E78 PolarHBondContact O-N 3.31Å; Y75-E79 HydrophobicContact CD1-CG 4.11Å; Y75-E79 HydrophobicContact CE1-CG 3.57Å; Y75-E79 HydrophobicContact CE2-CG 4.07Å; Y75-E79 PolarHBondContact O-N 3.02Å |
| 76 | L | 91.5 | Very high | 89.8 | Confident | 2 Ų | 2 | 56.3 Ų | 56.3 | 1% | 0.01 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61.4 | -40.3 | 178.5 | -70.8 | 174 | 0 | 0 | 0 | 112 | L34 L72 E73 S74 H80 L89 V109 Y112 | L34-L76 HydrophobicContact CD1-CD2 3.74Å; L34-L76 HydrophobicContact CD2-CD2 3.98Å; L72-L76 HydrophobicContact CG-CD1 4.42Å; L72-L76 VanDerWaalsContact O-CG 3.32Å; L72-L76 WeakPolarHBondContact O-CG 3.45Å; L72-L76 PolarHBondContact O-N 3.32Å; E73-L76 PolarHBondContact O-N 3.31Å; S74-L76 PolarHBondContact O-N 3.33Å; L76-H80 WeakPolarHBondContact O-CB 3.29Å; L76-H80 PolarHBondContact O-N 2.87Å; L76-L89 HydrophobicContact CD1-CD2 3.85Å; L76-L89 HydrophobicContact CD2-CD2 3.63Å; L76-L89 HydrophobicContact CG-CD2 4.42Å; L76-V109 HydrophobicContact CD1-CG2 4.21Å; L76-Y112 HydrophobicContact CB-CD2 3.72Å; L76-Y112 HydrophobicContact CB-CE2 4.07Å; L76-Y112 HydrophobicContact CB-CG 4.04Å; L76-Y112 HydrophobicContact CD1-CG 4.39Å; L76-Y112 VanDerWaalsContact O-CE2 3.32Å; L76-Y112 WeakPolarHBondContact O-CE2 3.48Å |
| 77 | I | 89.3 | Confident | 88.9 | Confident | 26 Ų | 26 | 60 Ų | 60 | 13% | 0.133 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -65.5 | -42.2 | 176.3 | -66.3 | 165.4 | 0 | 0 | 0 | 110.8 | E73 S74 Y75 H80 K81 Y112 K115 | E73-I77 HydrophobicContact CG-CD1 4.07Å; E73-I77 WeakPolarHBondContact O-CG1 3.5Å; E73-I77 PolarHBondContact O-N 3.39Å; S74-I77 PolarHBondContact O-N 3.39Å; Y75-I77 VanDerWaalsContact C-N 3.31Å; Y75-I77 PolarHBondContact O-N 3.02Å; I77-H80 PolarHBondContact O-N 3.4Å; I77-K81 HydrophobicContact CG2-CD 4.29Å; I77-K81 WeakPolarHBondContact O-CG 3.43Å; I77-K81 PolarHBondContact O-N 2.91Å; I77-Y112 HydrophobicContact CG1-CD2 4.29Å; I77-K115 HydrophobicContact CD1-CD 3.68Å |
| 78 | E | 90.4 | Very high | 88.4 | Confident | 129 Ų | 129 | 61.9 Ų | 61.9 | 60% | 0.603 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -66.1 | -44.6 | 177.9 | -73.6 | -178.3 | 175.8 | 0 | 0 | 112.6 | S74 Y75 H80 K81 S82 | S74-E78 WeakPolarHBondContact O-CG 3.32Å; S74-E78 PolarHBondContact O-N 3.15Å; Y75-E78 PolarHBondContact O-N 3.31Å; E78-H80 VanDerWaalsContact C-N 3.31Å; E78-H80 PolarHBondContact O-N 3.44Å; E78-K81 WeakPolarHBondContact O-CB 3.44Å; E78-K81 PolarHBondContact O-N 2.85Å; E78-S82 PolarHBondContact O-N 2.93Å |
| 79 | E | 88.4 | Confident | 88.1 | Confident | 17 Ų | 17 | 59.7 Ų | 59.7 | 8% | 0.079 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -61.8 | -40 | 175 | -78.5 | -74.3 | 125 | 0 | 0 | 111.1 | R32 Y75 S82 G83 R84 | R32-E79 IonicContact CZ-OE1 4Å; R32-E79 IonicContact NE-OE1 3.99Å; R32-E79 IonicContact NH2-OE1 3.2Å; Y75-E79 HydrophobicContact CD1-CG 4.11Å; Y75-E79 HydrophobicContact CE1-CG 3.57Å; Y75-E79 HydrophobicContact CE2-CG 4.07Å; Y75-E79 PolarHBondContact O-N 3.02Å; E79-S82 WeakPolarHBondContact O-CB 3.31Å; E79-S82 PolarHBondContact O-N 2.84Å; E79-S82 PolarHBondContact O-OG 2.91Å; E79-G83 PolarHBondContact O-N 3.03Å; E79-R84 PolarHBondContact O-N 3.48Å; E79-R84 VanDerWaalsContact OE2-CD 3.25Å; E79-R84 WeakPolarHBondContact OE2-CD 3.42Å; E79-R84 IonicContact OE2-NH1 3.61Å |
| 80 | H | 87.5 | Confident | 87.7 | Confident | 34 Ų | 34 | 60.5 Ų | 60.5 | 16% | 0.157 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -64.1 | -42.4 | 174.1 | -179.7 | -74.8 | 0 | 0 | 0 | 112 | L76 I77 E78 S82 G83 K85 Y112 C116 D118 | L76-H80 WeakPolarHBondContact O-CB 3.29Å; L76-H80 PolarHBondContact O-N 2.87Å; I77-H80 PolarHBondContact O-N 3.4Å; E78-H80 VanDerWaalsContact C-N 3.31Å; E78-H80 PolarHBondContact O-N 3.44Å; H80-S82 PolarHBondContact O-N 2.98Å; H80-G83 WeakPolarHBondContact O-CA 3.31Å; H80-G83 PolarHBondContact O-N 3.05Å; H80-K85 WeakPolarHBondContact NE2-CE 3.21Å; H80-Y112 HydrophobicContact CB-CE2 3.77Å; H80-C116 VanDerWaalsContact CG-SG 3.51Å; H80-D118 IonicContact CD2-OD2 2.98Å; H80-D118 IonicContact NE2-OD1 3.86Å; H80-D118 IonicContact NE2-OD2 2.65Å |
| 81 | K | 86.6 | Confident | 87.5 | Confident | 167 Ų | 167 | 61.3 Ų | 61.3 | 73% | 0.726 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -61.6 | -30.3 | 173.9 | -74.2 | 174 | -178.9 | 177.4 | 0 | 112.4 | I77 E78 G83 | I77-K81 HydrophobicContact CG2-CD 4.29Å; I77-K81 WeakPolarHBondContact O-CG 3.43Å; I77-K81 PolarHBondContact O-N 2.91Å; E78-K81 WeakPolarHBondContact O-CB 3.44Å; E78-K81 PolarHBondContact O-N 2.85Å; K81-G83 PolarHBondContact O-N 2.85Å |
| 82 | S | 88.2 | Confident | 87.3 | Confident | 80 Ų | 80 | 61 Ų | 61 | 56% | 0.559 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.1 | -3.5 | 172.9 | 82.6 | 0 | 0 | 0 | 0 | 114.1 | E78 E79 H80 | E78-S82 PolarHBondContact O-N 2.93Å; E79-S82 WeakPolarHBondContact O-CB 3.31Å; E79-S82 PolarHBondContact O-N 2.84Å; E79-S82 PolarHBondContact O-OG 2.91Å; H80-S82 PolarHBondContact O-N 2.98Å |
| 83 | G | 82.9 | Confident | 87.2 | Confident | 61 Ų | 61 | 61 Ų | 61 | 63% | 0.629 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 99.7 | -2.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | E79 H80 K81 K85 | E79-G83 PolarHBondContact O-N 3.03Å; H80-G83 WeakPolarHBondContact O-CA 3.31Å; H80-G83 PolarHBondContact O-N 3.05Å; K81-G83 PolarHBondContact O-N 2.85Å; G83-K85 PolarHBondContact O-N 2.97Å |
| 84 | R | 82.9 | Confident | 87.1 | Confident | 128 Ų | 128 | 63.9 Ų | 63.9 | 48% | 0.483 | 33% | 0.328 | S | S | . | . | trans | -90.4 | 92.6 | -179.5 | -157.9 | -178.2 | -168.9 | -167 | 0.5 | 110.6 | E79 | E79-R84 PolarHBondContact O-N 3.48Å; E79-R84 VanDerWaalsContact OE2-CD 3.25Å; E79-R84 WeakPolarHBondContact OE2-CD 3.42Å; E79-R84 IonicContact OE2-NH1 3.61Å | ||
| 85 | K | 77.1 | Confident | 87.1 | Confident | 123 Ų | 123 | 70.5 Ų | 70.5 | 54% | 0.535 | 35% | 0.345 | S | S | . | . | trans | -76.4 | 132.5 | 176.5 | -61.8 | -165.9 | 166.5 | -141.8 | 0 | 111.3 | H80 G83 D118 | H80-K85 WeakPolarHBondContact NE2-CE 3.21Å; G83-K85 PolarHBondContact O-N 2.97Å; K85-D118 IonicContact NZ-OD1 3.76Å; K85-D118 PolarHBondContact NZ-OD1 3.09Å | ||
| 86 | V | 78.3 | Confident | 87.1 | Confident | 8 Ų | 8 | 70.1 Ų | 70.1 | 5% | 0.048 | 35% | 0.345 | C | S | . | . | trans | -116.9 | 62.9 | 178.1 | -158.2 | 0 | 0 | 0 | 0 | 109.7 | L34 Y88 L89 Y112 | L34-V86 HydrophobicContact CD2-CB 4.39Å; L34-V86 HydrophobicContact CD2-CG1 3.79Å; L34-V86 HydrophobicContact CD2-CG2 3.96Å; V86-Y88 VanDerWaalsContact C-N 3.31Å; V86-Y88 HydrophobicContact CG1-CD1 4.36Å; V86-Y88 HydrophobicContact CG1-CE1 3.83Å; V86-Y88 HydrophobicContact CG1-CE2 4.2Å; V86-Y88 PolarHBondContact O-N 3.28Å; V86-L89 HydrophobicContact CB-CB 4.31Å; V86-L89 HydrophobicContact CG1-CB 3.8Å; V86-L89 HydrophobicContact CG1-CD1 3.93Å; V86-L89 HydrophobicContact CG1-CD2 4.31Å; V86-L89 HydrophobicContact CG1-CG 4.25Å; V86-L89 VanDerWaalsContact O-CB 3.3Å; V86-L89 WeakPolarHBondContact O-CB 3.43Å; V86-L89 PolarHBondContact O-N 3.48Å; V86-Y112 PolarHBondContact N-OH 2.89Å | ||
| 87 | S | 75.8 | Confident | 87.1 | Confident | 82 Ų | 82 | 75.1 Ų | 75.1 | 57% | 0.573 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -32.5 | -175.5 | 51.4 | 0 | 0 | 0 | 0 | 114 | L89 | S87-L89 PolarHBondContact O-N 2.93Š|
| 88 | Y | 85.5 | Confident | 87.3 | Confident | 124 Ų | 124 | 76 Ų | 76 | 49% | 0.486 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | -5.2 | -179.4 | 64 | -90.5 | 0 | 0 | 0 | 113.7 | V86 Y90 E91 T92 | V86-Y88 VanDerWaalsContact C-N 3.31Å; V86-Y88 HydrophobicContact CG1-CD1 4.36Å; V86-Y88 HydrophobicContact CG1-CE1 3.83Å; V86-Y88 HydrophobicContact CG1-CE2 4.2Å; V86-Y88 PolarHBondContact O-N 3.28Å; Y88-Y90 VanDerWaalsContact C-N 3.33Å; Y88-Y90 PolarHBondContact O-N 2.98Å; Y88-E91 PolarHBondContact O-N 3.34Å; Y88-T92 WeakPolarHBondContact CD2-OG1 3.48Å; Y88-T92 PolarHBondContact O-N 2.98Å; Y88-T92 PolarHBondContact O-OG1 3.25Å; Y88-T92 VanDerWaalsContact O-OG1 3.14Å |
| 89 | L | 87.7 | Confident | 87.5 | Confident | 1 Ų | 1 | 73.1 Ų | 73.1 | 1% | 0.005 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -64.8 | -38.1 | -172.6 | -157.5 | 61.7 | 0 | 0 | 0 | 112.7 | L34 I38 L76 V86 S87 E91 T92 V93 V109 | L34-L89 HydrophobicContact CD2-CD1 4.1Å; L34-L89 HydrophobicContact CD2-CD2 4.3Å; L34-L89 HydrophobicContact CG-CD1 4.49Å; I38-L89 HydrophobicContact CD1-CD1 3.2Å; I38-L89 HydrophobicContact CD1-CD2 4.05Å; I38-L89 HydrophobicContact CD1-CG 3.9Å; L76-L89 HydrophobicContact CD1-CD2 3.85Å; L76-L89 HydrophobicContact CD2-CD2 3.63Å; L76-L89 HydrophobicContact CG-CD2 4.42Å; V86-L89 HydrophobicContact CB-CB 4.31Å; V86-L89 HydrophobicContact CG1-CB 3.8Å; V86-L89 HydrophobicContact CG1-CD1 3.93Å; V86-L89 HydrophobicContact CG1-CD2 4.31Å; V86-L89 HydrophobicContact CG1-CG 4.25Å; V86-L89 VanDerWaalsContact O-CB 3.3Å; V86-L89 WeakPolarHBondContact O-CB 3.43Å; V86-L89 PolarHBondContact O-N 3.48Å; S87-L89 PolarHBondContact O-N 2.93Å; L89-E91 VanDerWaalsContact C-N 3.29Å; L89-E91 PolarHBondContact O-N 3.36Å; L89-T92 PolarHBondContact O-N 3.34Å; L89-V93 WeakPolarHBondContact O-CG2 3.17Å; L89-V93 PolarHBondContact O-N 2.86Å; L89-V109 HydrophobicContact CB-CG1 3.87Å; L89-V109 HydrophobicContact CD2-CG1 3.96Å; L89-V109 HydrophobicContact CD2-CG2 3.79Å; L89-V109 HydrophobicContact CG-CG1 3.95Å; L89-V109 HydrophobicContact CG-CG2 4.1Å |
| 90 | Y | 88.7 | Confident | 87.8 | Confident | 17 Ų | 17 | 72.6 Ų | 72.6 | 7% | 0.067 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -57.9 | -43.5 | 177.8 | -160.4 | -101.9 | 0 | 0 | 0 | 111.2 | Y88 Q94 L106 V109 H113 D127 L128 | Y88-Y90 VanDerWaalsContact C-N 3.33Å; Y88-Y90 PolarHBondContact O-N 2.98Å; Y90-Q94 WeakPolarHBondContact O-CG 3.29Å; Y90-L106 HydrophobicContact CD2-CD2 4.3Å; Y90-L106 HydrophobicContact CE1-CD2 4.47Å; Y90-L106 HydrophobicContact CE2-CD2 4.17Å; Y90-L106 WeakPolarHBondContact O-CD2 3.47Å; Y90-V109 HydrophobicContact CD2-CG1 4.21Å; Y90-H113 AromaticContact CD2-CD2 3.94Å; Y90-D127 PolarHBondContact OH-OD2 3.37Å; Y90-L128 HydrophobicContact CE2-CD2 4.3Å; Y90-L128 WeakPolarHBondContact OH-CD2 3.38Å |
| 91 | E | 88.9 | Confident | 88.2 | Confident | 126 Ų | 126 | 71 Ų | 71 | 59% | 0.589 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -70.4 | -43.2 | 175.9 | -64.2 | -179 | 178.7 | 0 | 0 | 112 | Y88 L89 V93 Q94 Y95 | Y88-E91 PolarHBondContact O-N 3.34Å; L89-E91 VanDerWaalsContact C-N 3.29Å; L89-E91 PolarHBondContact O-N 3.36Å; E91-V93 VanDerWaalsContact C-N 3.3Å; E91-V93 PolarHBondContact O-N 3.29Å; E91-Q94 WeakPolarHBondContact O-CB 3.43Å; E91-Q94 PolarHBondContact O-N 3.32Å; E91-Y95 VanDerWaalsContact O-CD2 3.22Å; E91-Y95 WeakPolarHBondContact O-CD2 3.48Å; E91-Y95 WeakPolarHBondContact O-CE2 3.34Å |
| 92 | T | 89.7 | Confident | 88.7 | Confident | 48 Ų | 48 | 66.5 Ų | 66.5 | 29% | 0.294 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -56.9 | -43.2 | 179.3 | -63.3 | 0 | 0 | 0 | 0 | 112.2 | Y88 L89 Q94 Y95 | Y88-T92 WeakPolarHBondContact CD2-OG1 3.48Å; Y88-T92 PolarHBondContact O-N 2.98Å; Y88-T92 PolarHBondContact O-OG1 3.25Å; Y88-T92 VanDerWaalsContact O-OG1 3.14Å; L89-T92 PolarHBondContact O-N 3.34Å; T92-Q94 PolarHBondContact O-N 3.16Å; T92-Y95 PolarHBondContact O-N 2.78Å |
| 93 | V | 92.6 | Very high | 89.1 | Confident | 1 Ų | 1 | 63 Ų | 63 | 1% | 0.006 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -64.5 | -27.5 | 179 | 172.8 | 0 | 0 | 0 | 0 | 111.7 | I38 L89 E91 Y95 I96 L105 L106 V109 | I38-V93 HydrophobicContact CG2-CG2 4.25Å; L89-V93 WeakPolarHBondContact O-CG2 3.17Å; L89-V93 PolarHBondContact O-N 2.86Å; E91-V93 VanDerWaalsContact C-N 3.3Å; E91-V93 PolarHBondContact O-N 3.29Å; V93-Y95 PolarHBondContact O-N 3.17Å; V93-I96 HydrophobicContact CG1-CD1 3.99Å; V93-I96 WeakPolarHBondContact O-CB 3.34Å; V93-I96 WeakPolarHBondContact O-CG1 3.25Å; V93-I96 PolarHBondContact O-N 3.45Å; V93-I96 VanDerWaalsContact O-N 3.12Å; V93-L105 HydrophobicContact CG1-CB 3.43Å; V93-L105 VanDerWaalsContact CG1-CB 3.43Å; V93-L105 HydrophobicContact CG2-CB 4.4Å; V93-L106 HydrophobicContact CB-CD2 4.1Å; V93-L106 HydrophobicContact CG1-CD2 3.89Å; V93-L106 HydrophobicContact CG1-CG 3.82Å; V93-V109 HydrophobicContact CG2-CG2 4.04Å |
| 94 | Q | 91.7 | Very high | 89.8 | Confident | 77 Ų | 77 | 60.1 Ų | 60.1 | 36% | 0.36 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -64.5 | -24.5 | 178.5 | -64.6 | -177.8 | 18.2 | 0 | 0 | 113.4 | Y90 E91 T92 I96 R102 L106 | Y90-Q94 WeakPolarHBondContact O-CG 3.29Å; E91-Q94 WeakPolarHBondContact O-CB 3.43Å; E91-Q94 PolarHBondContact O-N 3.32Å; T92-Q94 PolarHBondContact O-N 3.16Å; Q94-I96 PolarHBondContact O-N 3.19Å; Q94-R102 VanDerWaalsContact O-CD 3.22Å; Q94-R102 WeakPolarHBondContact O-CD 3.48Å; Q94-R102 PolarHBondContact O-NH1 2.87Å; Q94-L106 HydrophobicContact CG-CD1 4.32Å; Q94-L106 HydrophobicContact CG-CD2 3.77Å |
| 95 | Y | 92.6 | Very high | 90.4 | Very high | 197 Ų | 197 | 54 Ų | 54 | 77% | 0.773 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.4 | -6.8 | 176.7 | -64.5 | -81.6 | 0 | 0 | 0 | 113.9 | E91 T92 V93 S97 | E91-Y95 VanDerWaalsContact O-CD2 3.22Å; E91-Y95 WeakPolarHBondContact O-CD2 3.48Å; E91-Y95 WeakPolarHBondContact O-CE2 3.34Å; T92-Y95 PolarHBondContact O-N 2.78Å; V93-Y95 PolarHBondContact O-N 3.17Å; Y95-S97 PolarHBondContact O-N 2.77Å |
| 96 | I | 93 | Very high | 91.3 | Very high | 24 Ų | 24 | 48.2 Ų | 48.2 | 12% | 0.123 | 24% | 0.239 | C | C | . | . | trans | -63.9 | 122.3 | 173 | -64.1 | 174.4 | 0 | 0 | 0 | 109.2 | I38 A42 V93 Q94 N98 P101 R102 L105 | I38-I96 HydrophobicContact CG2-CD1 4.32Å; A42-I96 HydrophobicContact CB-CD1 3.94Å; A42-I96 HydrophobicContact CB-CG2 4.38Å; V93-I96 HydrophobicContact CG1-CD1 3.99Å; V93-I96 WeakPolarHBondContact O-CB 3.34Å; V93-I96 WeakPolarHBondContact O-CG1 3.25Å; V93-I96 PolarHBondContact O-N 3.45Å; V93-I96 VanDerWaalsContact O-N 3.12Å; Q94-I96 PolarHBondContact O-N 3.19Å; I96-N98 PolarHBondContact O-N 2.73Å; I96-P101 HydrophobicContact CG2-CB 4.3Å; I96-R102 HydrophobicContact CB-CB 4.03Å; I96-R102 HydrophobicContact CB-CG 4.46Å; I96-R102 HydrophobicContact CG2-CB 4.14Å; I96-L105 HydrophobicContact CD1-CD1 3.29Å | ||
| 97 | S | 91.2 | Very high | 92.1 | Very high | 107 Ų | 107 | 47.9 Ų | 47.9 | 75% | 0.748 | 24% | 0.237 | S | C | * | . | S | Bend | trans | -65.3 | -37.3 | -171 | 57.3 | 0 | 0 | 0 | 0 | 113.9 | Y95 | Y95-S97 PolarHBondContact O-N 2.77Š|
| 98 | N | 93.3 | Very high | 93 | Very high | 44 Ų | 44 | 44 Ų | 44 | 24% | 0.235 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -87 | 123.9 | -178.1 | -70.2 | -73.3 | 0 | 0 | 0 | 111 | M46 R49 I96 L100 P101 R102 | M46-N98 HydrophobicContact SD-CB 4Å; M46-N98 PolarHBondContact SD-ND2 3.31Å; M46-N98 VanDerWaalsContact SD-ND2 3.37Å; R49-N98 PolarHBondContact NH1-OD1 3.38Å; I96-N98 PolarHBondContact O-N 2.73Å; N98-L100 PolarHBondContact O-N 3.39Å; N98-P101 HydrophobicContact CB-CG 3.94Å; N98-P101 WeakPolarHBondContact O-CD 3.29Å; N98-R102 VanDerWaalsContact O-CB 3.26Å; N98-R102 WeakPolarHBondContact O-CB 3.33Å; N98-R102 PolarHBondContact O-N 3.03Å; N98-R102 VanDerWaalsContact O-N 3.08Å |
| 99 | I | 94.3 | Very high | 93.3 | Very high | 69 Ų | 69 | 38.1 Ų | 38.1 | 35% | 0.354 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -59.9 | -41.9 | -173.9 | -169.4 | 164.9 | 0 | 0 | 0 | 113.7 | R102 L103 | I99-R102 WeakPolarHBondContact O-CB 3.41Å; I99-R102 PolarHBondContact O-N 3.49Å; I99-L103 HydrophobicContact CD1-CD1 4.41Å; I99-L103 HydrophobicContact CG1-CD1 3.78Å; I99-L103 HydrophobicContact CG1-CG 4.17Å; I99-L103 WeakPolarHBondContact O-CG 3.08Å; I99-L103 PolarHBondContact O-N 2.83Å |
| 100 | L | 95 | Very high | 93.5 | Very high | 7 Ų | 7 | 38 Ų | 38 | 4% | 0.037 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -69.4 | -52.3 | -174.8 | -174.3 | 71.2 | 0 | 0 | 0 | 112.1 | M48 R49 N98 R102 L103 Y104 V135 L144 | M48-L100 HydrophobicContact CB-CD2 3.8Å; M48-L100 WeakPolarHBondContact O-CD2 3.16Å; R49-L100 HydrophobicContact CG-CB 4.28Å; R49-L100 HydrophobicContact CG-CD2 3.92Å; N98-L100 PolarHBondContact O-N 3.39Å; L100-R102 VanDerWaalsContact C-N 3.27Å; L100-R102 PolarHBondContact O-N 2.98Å; L100-L103 PolarHBondContact O-N 3.09Å; L100-Y104 HydrophobicContact CD1-CD2 4.13Å; L100-Y104 HydrophobicContact CD1-CE2 3.8Å; L100-Y104 HydrophobicContact CG-CD2 4.18Å; L100-Y104 HydrophobicContact CG-CE2 4.08Å; L100-Y104 WeakPolarHBondContact O-CD2 3.43Å; L100-Y104 PolarHBondContact O-N 3.28Å; L100-Y104 VanDerWaalsContact O-N 3.16Å; L100-V135 HydrophobicContact CD1-CG1 4.11Å; L100-V135 HydrophobicContact CD1-CG2 3.94Å; L100-L144 HydrophobicContact CD1-CB 4.49Å; L100-L144 HydrophobicContact CD1-CD2 4.26Å |
| 101 | P | 96.1 | Very high | 93.7 | Very high | 1 Ų | 1 | 37.2 Ų | 37.2 | 1% | 0.006 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -53.7 | -43.4 | 170.4 | -28.1 | 34.9 | 0 | 0 | 0 | 113.5 | L45 M46 I96 N98 L103 Y104 L105 | L45-P101 HydrophobicContact CB-CB 3.71Å; L45-P101 HydrophobicContact CB-CG 3.97Å; L45-P101 HydrophobicContact CD1-CB 4.43Å; M46-P101 HydrophobicContact CG-CG 4.39Å; M46-P101 HydrophobicContact SD-CG 3.92Å; I96-P101 HydrophobicContact CG2-CB 4.3Å; N98-P101 HydrophobicContact CB-CG 3.94Å; N98-P101 WeakPolarHBondContact O-CD 3.29Å; P101-L103 PolarHBondContact O-N 3.21Å; P101-Y104 PolarHBondContact O-N 2.86Å; P101-L105 WeakPolarHBondContact O-CG 3.19Å; P101-L105 PolarHBondContact O-N 3.2Å; P101-L105 VanDerWaalsContact O-N 3.07Å |
| 102 | R | 96.4 | Very high | 93.7 | Very high | 72 Ų | 72 | 31.2 Ų | 31.2 | 27% | 0.272 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -56.5 | -48.7 | 177.3 | 178.3 | 173.3 | 66.4 | -172.3 | 5.4 | 111.6 | Q94 I96 N98 I99 L100 L105 L106 | Q94-R102 VanDerWaalsContact O-CD 3.22Å; Q94-R102 WeakPolarHBondContact O-CD 3.48Å; Q94-R102 PolarHBondContact O-NH1 2.87Å; I96-R102 HydrophobicContact CB-CB 4.03Å; I96-R102 HydrophobicContact CB-CG 4.46Å; I96-R102 HydrophobicContact CG2-CB 4.14Å; N98-R102 VanDerWaalsContact O-CB 3.26Å; N98-R102 WeakPolarHBondContact O-CB 3.33Å; N98-R102 PolarHBondContact O-N 3.03Å; N98-R102 VanDerWaalsContact O-N 3.08Å; I99-R102 WeakPolarHBondContact O-CB 3.41Å; I99-R102 PolarHBondContact O-N 3.49Å; L100-R102 VanDerWaalsContact C-N 3.27Å; L100-R102 PolarHBondContact O-N 2.98Å; R102-L105 PolarHBondContact O-N 3.28Å; R102-L106 HydrophobicContact CG-CD1 3.76Å; R102-L106 HydrophobicContact CG-CG 4.16Å; R102-L106 WeakPolarHBondContact O-CB 3.39Å; R102-L106 VanDerWaalsContact O-CG 3.26Å; R102-L106 WeakPolarHBondContact O-CG 3.15Å; R102-L106 PolarHBondContact O-N 3.38Å |
| 103 | L | 96.9 | Very high | 93.6 | Very high | 6 Ų | 6 | 29 Ų | 29 | 3% | 0.031 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -67.8 | -40.7 | -176.6 | -68.3 | 172.4 | 0 | 0 | 0 | 112.8 | I99 L100 P101 L105 L106 I107 M131 V135 L144 | I99-L103 HydrophobicContact CD1-CD1 4.41Å; I99-L103 HydrophobicContact CG1-CD1 3.78Å; I99-L103 HydrophobicContact CG1-CG 4.17Å; I99-L103 WeakPolarHBondContact O-CG 3.08Å; I99-L103 PolarHBondContact O-N 2.83Å; L100-L103 PolarHBondContact O-N 3.09Å; P101-L103 PolarHBondContact O-N 3.21Å; L103-L105 VanDerWaalsContact C-N 3.34Å; L103-L105 PolarHBondContact O-N 2.94Å; L103-L106 HydrophobicContact CD2-CD1 4.32Å; L103-L106 PolarHBondContact O-N 2.98Å; L103-I107 WeakPolarHBondContact O-CD1 3.28Å; L103-I107 VanDerWaalsContact O-CG1 3.24Å; L103-I107 WeakPolarHBondContact O-CG1 3.25Å; L103-I107 PolarHBondContact O-N 3.2Å; L103-M131 HydrophobicContact CD2-CB 3.6Å; L103-M131 HydrophobicContact CD2-SD 4.36Å; L103-V135 HydrophobicContact CD1-CG2 3.58Å; L103-L144 HydrophobicContact CB-CD1 3.91Å; L103-L144 HydrophobicContact CB-CD2 3.91Å; L103-L144 HydrophobicContact CD1-CD2 3.64Å; L103-L144 HydrophobicContact CG-CD2 4.42Å |
| 104 | Y | 97.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -58.9 | -47 | 173.7 | -88.6 | -81.9 | 0 | 0 | 0 | 111.2 | L45 M48 Y62 T66 L69 L100 P101 I107 T108 L144 Y147 | L45-Y104 HydrophobicContact CD2-CD1 4.23Å; L45-Y104 HydrophobicContact CD2-CD2 3.93Å; L45-Y104 HydrophobicContact CD2-CG 3.7Å; M48-Y104 HydrophobicContact CE-CE2 4.28Å; M48-Y104 WeakPolarHBondContact CE-OH 3.29Å; Y62-Y104 HydrophobicContact CE2-CE1 4.34Å; T66-Y104 HydrophobicContact CG2-CE1 4.3Å; L69-Y104 HydrophobicContact CD1-CD1 3.89Å; L69-Y104 HydrophobicContact CD1-CG 4.37Å; L100-Y104 HydrophobicContact CD1-CD2 4.13Å; L100-Y104 HydrophobicContact CD1-CE2 3.8Å; L100-Y104 HydrophobicContact CG-CD2 4.18Å; L100-Y104 HydrophobicContact CG-CE2 4.08Å; L100-Y104 WeakPolarHBondContact O-CD2 3.43Å; L100-Y104 PolarHBondContact O-N 3.28Å; L100-Y104 VanDerWaalsContact O-N 3.16Å; P101-Y104 PolarHBondContact O-N 2.86Å; Y104-I107 PolarHBondContact O-N 2.96Å; Y104-T108 PolarHBondContact O-N 3.35Å; Y104-T108 PolarHBondContact O-OG1 3.15Å; Y104-L144 HydrophobicContact CD1-CD1 4.26Å; Y104-L144 HydrophobicContact CD2-CD1 3.65Å; Y104-L144 HydrophobicContact CE1-CD1 4.29Å; Y104-L144 HydrophobicContact CE2-CB 4.24Å; Y104-L144 HydrophobicContact CE2-CD1 3.69Å; Y104-L144 HydrophobicContact CG-CD1 3.94Å; Y104-L144 PolarHBondContact OH-N 3.28Å; Y104-Y147 AromaticContact CD1-CD1 3.33Å; Y104-Y147 HydrophobicContact CD1-CD1 3.33Å; Y104-Y147 AromaticContact CD1-CE1 3.76Å; Y104-Y147 HydrophobicContact CD1-CE1 3.76Å; Y104-Y147 AromaticContact CD1-CG 3.83Å; Y104-Y147 HydrophobicContact CD1-CG 3.83Å; Y104-Y147 AromaticContact CE1-CD1 3.68Å; Y104-Y147 HydrophobicContact CE1-CD1 3.68Å; Y104-Y147 HydrophobicContact CE1-CD2 4.48Å; Y104-Y147 HydrophobicContact CE1-CE1 4.46Å; Y104-Y147 AromaticContact CE1-CG 3.69Å; Y104-Y147 HydrophobicContact CE1-CG 3.69Å; Y104-Y147 HydrophobicContact CG-CD1 4.37Å |
| 105 | L | 96.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -67.7 | -37 | 177.9 | -71.3 | 168 | 0 | 0 | 0 | 112.7 | I38 A41 A42 L45 L69 L72 V93 I96 P101 R102 L103 I107 T108 V109 | I38-L105 HydrophobicContact CG2-CD1 4.27Å; A41-L105 HydrophobicContact CB-CD2 3.86Å; A42-L105 HydrophobicContact CB-CD1 3.83Å; L45-L105 HydrophobicContact CD1-CD1 4.15Å; L45-L105 HydrophobicContact CD1-CD2 4.16Å; L45-L105 HydrophobicContact CD1-CG 3.68Å; L69-L105 HydrophobicContact CD2-CD2 4.05Å; L72-L105 HydrophobicContact CD2-CD2 3.81Å; V93-L105 HydrophobicContact CG1-CB 3.43Å; V93-L105 VanDerWaalsContact CG1-CB 3.43Å; V93-L105 HydrophobicContact CG2-CB 4.4Å; I96-L105 HydrophobicContact CD1-CD1 3.29Å; P101-L105 WeakPolarHBondContact O-CG 3.19Å; P101-L105 PolarHBondContact O-N 3.2Å; P101-L105 VanDerWaalsContact O-N 3.07Å; R102-L105 PolarHBondContact O-N 3.28Å; L103-L105 VanDerWaalsContact C-N 3.34Å; L103-L105 PolarHBondContact O-N 2.94Å; L105-I107 VanDerWaalsContact C-N 3.29Å; L105-I107 PolarHBondContact O-N 3.07Å; L105-T108 PolarHBondContact O-N 3.14Å; L105-V109 WeakPolarHBondContact O-CB 3.22Å; L105-V109 WeakPolarHBondContact O-CG2 3.31Å; L105-V109 PolarHBondContact O-N 3.38Å |
| 106 | L | 95.1 | Very high | 92.9 | Very high | 1 Ų | 1 | 20.5 Ų | 20.5 | 1% | 0.005 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -62.5 | -38.1 | 174.5 | -78.1 | 174 | 0 | 0 | 0 | 111.4 | Y90 V93 Q94 R102 L103 G110 L128 M131 | Y90-L106 HydrophobicContact CD2-CD2 4.3Å; Y90-L106 HydrophobicContact CE1-CD2 4.47Å; Y90-L106 HydrophobicContact CE2-CD2 4.17Å; Y90-L106 WeakPolarHBondContact O-CD2 3.47Å; V93-L106 HydrophobicContact CB-CD2 4.1Å; V93-L106 HydrophobicContact CG1-CD2 3.89Å; V93-L106 HydrophobicContact CG1-CG 3.82Å; Q94-L106 HydrophobicContact CG-CD1 4.32Å; Q94-L106 HydrophobicContact CG-CD2 3.77Å; R102-L106 HydrophobicContact CG-CD1 3.76Å; R102-L106 HydrophobicContact CG-CG 4.16Å; R102-L106 WeakPolarHBondContact O-CB 3.39Å; R102-L106 VanDerWaalsContact O-CG 3.26Å; R102-L106 WeakPolarHBondContact O-CG 3.15Å; R102-L106 PolarHBondContact O-N 3.38Å; L103-L106 HydrophobicContact CD2-CD1 4.32Å; L103-L106 PolarHBondContact O-N 2.98Å; L106-G110 WeakPolarHBondContact O-CA 3.36Å; L106-G110 PolarHBondContact O-N 3.37Å; L106-L128 HydrophobicContact CB-CD2 4.05Å; L106-L128 WeakPolarHBondContact O-CD2 3.47Å; L106-M131 HydrophobicContact CD1-CE 4.27Å; L106-M131 HydrophobicContact CD1-SD 3.59Å; L106-M131 VanDerWaalsContact CD1-SD 3.59Å |
| 107 | I | 95.7 | Very high | 91.9 | Very high | 1 Ų | 1 | 23.4 Ų | 23.4 | 1% | 0.005 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -64.1 | -50.1 | 173.2 | -66.9 | 163.4 | 0 | 0 | 0 | 109.9 | L103 Y104 L105 V109 G110 V111 L128 L144 Y147 L148 | L103-I107 WeakPolarHBondContact O-CD1 3.28Å; L103-I107 VanDerWaalsContact O-CG1 3.24Å; L103-I107 WeakPolarHBondContact O-CG1 3.25Å; L103-I107 PolarHBondContact O-N 3.2Å; Y104-I107 PolarHBondContact O-N 2.96Å; L105-I107 VanDerWaalsContact C-N 3.29Å; L105-I107 PolarHBondContact O-N 3.07Å; I107-V109 PolarHBondContact O-N 2.78Å; I107-G110 PolarHBondContact O-N 3.43Å; I107-V111 HydrophobicContact CG2-CG2 4.32Å; I107-V111 WeakPolarHBondContact O-CB 3.28Å; I107-V111 WeakPolarHBondContact O-CG2 3.49Å; I107-V111 PolarHBondContact O-N 2.87Å; I107-L128 HydrophobicContact CG1-CD2 4.26Å; I107-L144 HydrophobicContact CD1-CD1 3.69Å; I107-L144 HydrophobicContact CD1-CG 4.38Å; I107-Y147 HydrophobicContact CB-CD1 4.06Å; I107-Y147 HydrophobicContact CB-CE1 3.88Å; I107-Y147 HydrophobicContact CD1-CD1 3.95Å; I107-Y147 HydrophobicContact CG2-CD1 3.73Å; I107-Y147 HydrophobicContact CG2-CE1 3.6Å; I107-L148 HydrophobicContact CD1-CB 3.83Å; I107-L148 HydrophobicContact CD1-CD1 4.21Å; I107-L148 HydrophobicContact CG1-CB 4.41Å; I107-L148 HydrophobicContact CG1-CD1 3.87Å; I107-L148 HydrophobicContact CG2-CD1 4.29Å |
| 108 | T | 95.1 | Very high | 90.7 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -57.3 | -48 | 179.7 | -48.3 | 0 | 0 | 0 | 0 | 111.6 | E73 Y104 L105 Y112 Y147 | E73-T108 HydrophobicContact CB-CG2 3.82Å; E73-T108 HydrophobicContact CG-CG2 4.45Å; Y104-T108 PolarHBondContact O-N 3.35Å; Y104-T108 PolarHBondContact O-OG1 3.15Å; L105-T108 PolarHBondContact O-N 3.14Å; T108-Y112 PolarHBondContact O-N 3.36Å; T108-Y112 VanDerWaalsContact O-N 3.14Å; T108-Y147 PolarHBondContact OG1-OH 3.33Å |
| 109 | V | 92.5 | Very high | 89.7 | Confident | 1 Ų | 1 | 22 Ų | 22 | 1% | 0.006 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -73.3 | -36.1 | -179.5 | 176 | 0 | 0 | 0 | 0 | 111.7 | L76 L89 Y90 V93 L105 I107 Y112 H113 | L76-V109 HydrophobicContact CD1-CG2 4.21Å; L89-V109 HydrophobicContact CB-CG1 3.87Å; L89-V109 HydrophobicContact CD2-CG1 3.96Å; L89-V109 HydrophobicContact CD2-CG2 3.79Å; L89-V109 HydrophobicContact CG-CG1 3.95Å; L89-V109 HydrophobicContact CG-CG2 4.1Å; Y90-V109 HydrophobicContact CD2-CG1 4.21Å; V93-V109 HydrophobicContact CG2-CG2 4.04Å; L105-V109 WeakPolarHBondContact O-CB 3.22Å; L105-V109 WeakPolarHBondContact O-CG2 3.31Å; L105-V109 PolarHBondContact O-N 3.38Å; I107-V109 PolarHBondContact O-N 2.78Å; V109-Y112 HydrophobicContact CG1-CD1 4.4Å; V109-Y112 VanDerWaalsContact O-CB 3.31Å; V109-Y112 WeakPolarHBondContact O-CB 3.4Å; V109-Y112 PolarHBondContact O-N 2.85Å; V109-H113 PolarHBondContact O-CD2 2.95Å; V109-H113 PolarHBondContact O-N 3.3Å |
| 110 | G | 91.6 | Very high | 89.1 | Confident | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -63.8 | -41.6 | 175 | 0 | 0 | 0 | 0 | 0 | 112.5 | L106 I107 Y112 H113 I114 | L106-G110 WeakPolarHBondContact O-CA 3.36Å; L106-G110 PolarHBondContact O-N 3.37Å; I107-G110 PolarHBondContact O-N 3.43Å; G110-Y112 VanDerWaalsContact C-N 3.34Å; G110-H113 PolarHBondContact O-N 2.85Å; G110-I114 WeakPolarHBondContact O-CG1 3.36Å; G110-I114 PolarHBondContact O-N 3.15Å |
| 111 | V | 91.2 | Very high | 88.7 | Confident | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -63.8 | -41 | 174.2 | 170.6 | 0 | 0 | 0 | 0 | 111 | I107 I114 K115 L152 L156 | I107-V111 HydrophobicContact CG2-CG2 4.32Å; I107-V111 WeakPolarHBondContact O-CB 3.28Å; I107-V111 WeakPolarHBondContact O-CG2 3.49Å; I107-V111 PolarHBondContact O-N 2.87Å; V111-I114 PolarHBondContact O-N 2.92Å; V111-K115 HydrophobicContact CG1-CD 4.32Å; V111-K115 WeakPolarHBondContact O-CG 3.2Å; V111-K115 PolarHBondContact O-N 3.01Å; V111-L152 HydrophobicContact CG2-CD2 3.79Å; V111-L152 HydrophobicContact CG2-CG 4.06Å; V111-L156 HydrophobicContact CG1-CD1 4Å |
| 112 | Y | 90.1 | Very high | 88.2 | Confident | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -55.3 | -49.8 | 170.1 | 154.3 | -104.4 | 0 | 0 | 0 | 111.7 | L76 I77 H80 V86 T108 V109 G110 I114 K115 C116 | L76-Y112 HydrophobicContact CB-CD2 3.72Å; L76-Y112 HydrophobicContact CB-CE2 4.07Å; L76-Y112 HydrophobicContact CB-CG 4.04Å; L76-Y112 HydrophobicContact CD1-CG 4.39Å; L76-Y112 VanDerWaalsContact O-CE2 3.32Å; L76-Y112 WeakPolarHBondContact O-CE2 3.48Å; I77-Y112 HydrophobicContact CG1-CD2 4.29Å; H80-Y112 HydrophobicContact CB-CE2 3.77Å; V86-Y112 PolarHBondContact N-OH 2.89Å; T108-Y112 PolarHBondContact O-N 3.36Å; T108-Y112 VanDerWaalsContact O-N 3.14Å; V109-Y112 HydrophobicContact CG1-CD1 4.4Å; V109-Y112 VanDerWaalsContact O-CB 3.31Å; V109-Y112 WeakPolarHBondContact O-CB 3.4Å; V109-Y112 PolarHBondContact O-N 2.85Å; G110-Y112 VanDerWaalsContact C-N 3.34Å; Y112-I114 VanDerWaalsContact C-N 3.33Å; Y112-I114 PolarHBondContact O-N 3.47Å; Y112-K115 PolarHBondContact O-N 3.2Å; Y112-C116 HydrophobicContact CE2-CB 4.28Å; Y112-C116 WeakPolarHBondContact O-CB 3.24Å; Y112-C116 PolarHBondContact O-N 2.93Å |
| 113 | H | 87.6 | Confident | 87.8 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -64 | -35.9 | 179.2 | -75.6 | -61.7 | 0 | 0 | 0 | 113.4 | Y90 V109 G110 S117 D118 L119 I124 | Y90-H113 AromaticContact CD2-CD2 3.94Å; V109-H113 PolarHBondContact O-CD2 2.95Å; V109-H113 PolarHBondContact O-N 3.3Å; G110-H113 PolarHBondContact O-N 2.85Å; H113-S117 PolarHBondContact O-N 3.25Å; H113-D118 PolarHBondContact O-N 3.3Å; H113-L119 HydrophobicContact CB-CB 4.39Å; H113-L119 HydrophobicContact CB-CD1 4.02Å; H113-I124 HydrophobicContact CB-CD1 3.73Å |
| 114 | I | 88.4 | Confident | 87.5 | Confident | 5 Ų | 5 | 29 Ų | 29 | 3% | 0.026 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -64 | -45.5 | 174.5 | -70.2 | 167.1 | 0 | 0 | 0 | 110.7 | G110 V111 Y112 S117 R121 I124 L125 L152 L156 | G110-I114 WeakPolarHBondContact O-CG1 3.36Å; G110-I114 PolarHBondContact O-N 3.15Å; V111-I114 PolarHBondContact O-N 2.92Å; Y112-I114 VanDerWaalsContact C-N 3.33Å; Y112-I114 PolarHBondContact O-N 3.47Å; I114-S117 PolarHBondContact O-N 2.95Å; I114-R121 HydrophobicContact CG1-CG 4.26Å; I114-R121 HydrophobicContact CG2-CG 4Å; I114-I124 HydrophobicContact CD1-CB 4.24Å; I114-I124 HydrophobicContact CD1-CG2 3.7Å; I114-I124 HydrophobicContact CG1-CB 4.27Å; I114-I124 HydrophobicContact CG1-CD1 4.06Å; I114-I124 HydrophobicContact CG1-CG2 4.04Å; I114-L125 HydrophobicContact CD1-CD2 4.2Å; I114-L125 HydrophobicContact CD1-CG 4.41Å; I114-L152 HydrophobicContact CD1-CD2 3.53Å; I114-L156 HydrophobicContact CG2-CB 4.17Å; I114-L156 HydrophobicContact CG2-CD2 4.45Å |
| 115 | K | 87.4 | Confident | 87.2 | Confident | 79 Ų | 79 | 29.2 Ų | 29.2 | 34% | 0.343 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -66.9 | -36.4 | 180 | -76.7 | 178.9 | 178 | 179 | 0 | 113.3 | E73 I77 V111 Y112 L156 | E73-K115 IonicContact OE1-NZ 3.59Å; E73-K115 PolarHBondContact OE1-NZ 3.45Å; I77-K115 HydrophobicContact CD1-CD 3.68Å; V111-K115 HydrophobicContact CG1-CD 4.32Å; V111-K115 WeakPolarHBondContact O-CG 3.2Å; V111-K115 PolarHBondContact O-N 3.01Å; Y112-K115 PolarHBondContact O-N 3.2Å; K115-L156 HydrophobicContact CD-CD2 4.41Å; K115-L156 HydrophobicContact CG-CD1 4.23Å; K115-L156 HydrophobicContact CG-CD2 3.55Å |
| 116 | C | 85.7 | Confident | 86.9 | Confident | 13 Ų | 13 | 35.5 Ų | 35.5 | 9% | 0.088 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -90.3 | -2 | -178.4 | -67.5 | 0 | 0 | 0 | 0 | 113.4 | H80 Y112 D118 | H80-C116 VanDerWaalsContact CG-SG 3.51Å; Y112-C116 HydrophobicContact CE2-CB 4.28Å; Y112-C116 WeakPolarHBondContact O-CB 3.24Å; Y112-C116 PolarHBondContact O-N 2.93Å; C116-D118 VanDerWaalsContact C-N 3.25Å; C116-D118 PolarHBondContact O-N 2.75Å |
| 117 | S | 71.9 | Confident | 86.8 | Confident | 86 Ų | 86 | 37.7 Ų | 37.7 | 60% | 0.601 | 18% | 0.181 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.6 | 27.7 | 177.3 | 62.6 | 0 | 0 | 0 | 0 | 115.6 | H113 I114 | H113-S117 PolarHBondContact O-N 3.25Å; I114-S117 PolarHBondContact O-N 2.95Å |
| 118 | D | 66.9 | Low | 86.7 | Confident | 44 Ų | 44 | 37.8 Ų | 37.8 | 24% | 0.235 | 18% | 0.181 | C | C | . | . | trans | -79.7 | -21.8 | -178.4 | -77.9 | -30.8 | 0 | 0 | 0 | 113.2 | H80 K85 H113 C116 | H80-D118 IonicContact CD2-OD2 2.98Å; H80-D118 IonicContact NE2-OD1 3.86Å; H80-D118 IonicContact NE2-OD2 2.65Å; K85-D118 IonicContact NZ-OD1 3.76Å; K85-D118 PolarHBondContact NZ-OD1 3.09Å; H113-D118 PolarHBondContact O-N 3.3Å; C116-D118 VanDerWaalsContact C-N 3.25Å; C116-D118 PolarHBondContact O-N 2.75Å | ||
| 119 | L | 71.9 | Confident | 86.7 | Confident | 76 Ų | 76 | 38.1 Ų | 38.1 | 40% | 0.398 | 18% | 0.183 | S | C | . | . | S | Bend | trans | -135.1 | 164.7 | -175.3 | -74.6 | 170.8 | 0 | 0 | 0 | 110.6 | H113 R121 I124 | H113-L119 HydrophobicContact CB-CB 4.39Å; H113-L119 HydrophobicContact CB-CD1 4.02Å; L119-R121 PolarHBondContact O-N 3.32Å; L119-I124 HydrophobicContact CB-CD1 3.5Å; L119-I124 HydrophobicContact CB-CG1 4.3Å; L119-I124 HydrophobicContact CD1-CD1 4.05Å; L119-I124 HydrophobicContact CG-CD1 4.44Å |
| 120 | S | 81.8 | Confident | 86.8 | Confident | 20 Ų | 20 | 42.7 Ų | 42.7 | 14% | 0.14 | 20% | 0.204 | C | C | . | . | trans | -69.1 | 122.9 | 178.9 | 90.5 | 0 | 0 | 0 | 0 | 110.3 | R122 E123 I124 S215 | S120-R122 VanDerWaalsContact C-N 3.26Å; S120-R122 PolarHBondContact O-N 2.95Å; S120-E123 PolarHBondContact O-N 2.94Å; S120-E123 WeakPolarHBondContact OG-CB 3.4Å; S120-E123 WeakPolarHBondContact OG-CG 3.26Å; S120-E123 PolarHBondContact OG-N 3.23Å; S120-E123 PolarHBondContact OG-OE2 3.47Å; S120-I124 WeakPolarHBondContact O-CG1 3.19Å; S120-I124 PolarHBondContact O-N 2.86Å; S120-S215 WeakPolarHBondContact CA-O 3.31Å; S120-S215 WeakPolarHBondContact CB-O 3.3Å | ||
| 121 | R | 85.9 | Confident | 86.9 | Confident | 50 Ų | 50 | 45 Ų | 45 | 19% | 0.189 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -61.3 | -40.4 | -178.2 | -178.9 | -174.5 | -61.1 | -164.3 | -1.3 | 110.8 | I114 L119 I124 L125 L156 S215 Q216 | I114-R121 HydrophobicContact CG1-CG 4.26Å; I114-R121 HydrophobicContact CG2-CG 4Å; L119-R121 PolarHBondContact O-N 3.32Å; R121-I124 PolarHBondContact O-N 3.18Å; R121-L125 HydrophobicContact CG-CD1 4.06Å; R121-L125 HydrophobicContact CG-CG 4.46Å; R121-L125 WeakPolarHBondContact O-CB 3.29Å; R121-L125 VanDerWaalsContact O-CG 3.27Å; R121-L125 WeakPolarHBondContact O-CG 3.47Å; R121-L125 PolarHBondContact O-N 3.49Å; R121-L156 VanDerWaalsContact CD-O 3.28Å; R121-L156 WeakPolarHBondContact CD-O 3.29Å; R121-L156 PolarHBondContact NH1-O 3.05Å; R121-S215 PolarHBondContact N-O 3.41Å; R121-Q216 WeakPolarHBondContact CD-O 3.37Å |
| 122 | R | 86.4 | Confident | 87.1 | Confident | 115 Ų | 115 | 45 Ų | 45 | 43% | 0.434 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -60.3 | -47.5 | 179.3 | -174 | -179.4 | -176.8 | -160.1 | -0.8 | 112.8 | S120 L125 R126 D221 | S120-R122 VanDerWaalsContact C-N 3.26Å; S120-R122 PolarHBondContact O-N 2.95Å; R122-L125 PolarHBondContact O-N 3.3Å; R122-R126 PolarHBondContact O-N 3.41Å; R122-R126 VanDerWaalsContact O-N 3.12Å; R122-D221 WeakPolarHBondContact CD-OD2 3.09Å; R122-D221 HydrophobicContact CG-CB 4.42Å; R122-D221 IonicContact CZ-OD1 3.62Å; R122-D221 IonicContact NE-OD1 3.11Å; R122-D221 PolarHBondContact NE-OD1 3.21Å; R122-D221 IonicContact NE-OD2 3.03Å; R122-D221 PolarHBondContact NE-OD2 2.89Å; R122-D221 IonicContact NH2-OD1 2.81Å; R122-D221 PolarHBondContact NH2-OD1 2.84Å |
| 123 | E | 88.3 | Confident | 87.3 | Confident | 111 Ų | 111 | 47.4 Ų | 47.4 | 52% | 0.519 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -69.3 | -40.3 | -179.1 | -65.2 | 166.2 | 156.1 | 0 | 0 | 111 | S120 L125 R126 D127 | S120-E123 PolarHBondContact O-N 2.94Å; S120-E123 WeakPolarHBondContact OG-CB 3.4Å; S120-E123 WeakPolarHBondContact OG-CG 3.26Å; S120-E123 PolarHBondContact OG-N 3.23Å; S120-E123 PolarHBondContact OG-OE2 3.47Å; E123-L125 PolarHBondContact O-N 3.38Å; E123-R126 PolarHBondContact O-N 2.86Å; E123-D127 WeakPolarHBondContact O-CB 3.38Å; E123-D127 PolarHBondContact O-N 3.31Å |
| 124 | I | 89.3 | Confident | 87.5 | Confident | 7 Ų | 7 | 49.4 Ų | 49.4 | 4% | 0.036 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -60.7 | -45.8 | 176.4 | -67 | 171.1 | 0 | 0 | 0 | 110.8 | H113 I114 L119 S120 R121 D127 L128 | H113-I124 HydrophobicContact CB-CD1 3.73Å; I114-I124 HydrophobicContact CD1-CB 4.24Å; I114-I124 HydrophobicContact CD1-CG2 3.7Å; I114-I124 HydrophobicContact CG1-CB 4.27Å; I114-I124 HydrophobicContact CG1-CD1 4.06Å; I114-I124 HydrophobicContact CG1-CG2 4.04Å; L119-I124 HydrophobicContact CB-CD1 3.5Å; L119-I124 HydrophobicContact CB-CG1 4.3Å; L119-I124 HydrophobicContact CD1-CD1 4.05Å; L119-I124 HydrophobicContact CG-CD1 4.44Å; S120-I124 WeakPolarHBondContact O-CG1 3.19Å; S120-I124 PolarHBondContact O-N 2.86Å; R121-I124 PolarHBondContact O-N 3.18Å; I124-D127 PolarHBondContact O-N 2.98Å; I124-L128 HydrophobicContact CG2-CD1 3.59Å; I124-L128 HydrophobicContact CG2-CG 3.93Å; I124-L128 VanDerWaalsContact O-CB 3.31Å; I124-L128 WeakPolarHBondContact O-CB 3.34Å; I124-L128 VanDerWaalsContact O-CG 3.22Å; I124-L128 WeakPolarHBondContact O-CG 3.39Å; I124-L128 PolarHBondContact O-N 2.84Å |
| 125 | L | 91.4 | Very high | 87.8 | Confident | 4 Ų | 4 | 49.7 Ų | 49.7 | 2% | 0.021 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -61.4 | -46.8 | 179.7 | -73.2 | 174.9 | 0 | 0 | 0 | 111.9 | I114 R121 R122 E123 V129 L152 L157 P158 F225 | I114-L125 HydrophobicContact CD1-CD2 4.2Å; I114-L125 HydrophobicContact CD1-CG 4.41Å; R121-L125 HydrophobicContact CG-CD1 4.06Å; R121-L125 HydrophobicContact CG-CG 4.46Å; R121-L125 WeakPolarHBondContact O-CB 3.29Å; R121-L125 VanDerWaalsContact O-CG 3.27Å; R121-L125 WeakPolarHBondContact O-CG 3.47Å; R121-L125 PolarHBondContact O-N 3.49Å; R122-L125 PolarHBondContact O-N 3.3Å; E123-L125 PolarHBondContact O-N 3.38Å; L125-V129 WeakPolarHBondContact O-CB 3.37Å; L125-V129 WeakPolarHBondContact O-CG1 3.18Å; L125-V129 PolarHBondContact O-N 2.96Å; L125-V129 VanDerWaalsContact O-N 3.14Å; L125-L152 HydrophobicContact CD2-CD1 3.51Å; L125-L152 HydrophobicContact CD2-CD2 3.81Å; L125-L152 HydrophobicContact CD2-CG 4.24Å; L125-L157 HydrophobicContact CD1-CD2 4.19Å; L125-L157 HydrophobicContact CD2-CD2 4.07Å; L125-P158 VanDerWaalsContact CD1-CD 3.47Å; L125-P158 HydrophobicContact CD1-CG 4.01Å; L125-F225 HydrophobicContact CB-CD2 4.17Å; L125-F225 HydrophobicContact CD2-CD2 4.24Å; L125-F225 HydrophobicContact CD2-CE2 4.14Å; L125-F225 HydrophobicContact CD2-CZ 4.38Å |
| 126 | R | 91 | Very high | 88 | Confident | 133 Ų | 133 | 49.5 Ų | 49.5 | 50% | 0.502 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -60.7 | -48.9 | 176.4 | -176.1 | -172.6 | 67.2 | -152 | -5.7 | 111 | R122 E123 V129 E130 | R122-R126 PolarHBondContact O-N 3.41Å; R122-R126 VanDerWaalsContact O-N 3.12Å; E123-R126 PolarHBondContact O-N 2.86Å; R126-V129 WeakPolarHBondContact O-CG1 3.49Å; R126-V129 PolarHBondContact O-N 3.41Å; R126-E130 HydrophobicContact CG-CG 4.48Å; R126-E130 VanDerWaalsContact CG-OE1 3.25Å; R126-E130 WeakPolarHBondContact CG-OE1 3.3Å; R126-E130 WeakPolarHBondContact O-CB 3.38Å; R126-E130 VanDerWaalsContact O-CG 3.29Å; R126-E130 WeakPolarHBondContact O-CG 3.36Å; R126-E130 PolarHBondContact O-N 3.03Å |
| 127 | D | 92.6 | Very high | 88.3 | Confident | 47 Ų | 47 | 52 Ų | 52 | 25% | 0.251 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -64 | -49.3 | -177 | -167.9 | 27.4 | 0 | 0 | 0 | 111.3 | Y90 E123 I124 V129 E130 M131 | Y90-D127 PolarHBondContact OH-OD2 3.37Å; E123-D127 WeakPolarHBondContact O-CB 3.38Å; E123-D127 PolarHBondContact O-N 3.31Å; I124-D127 PolarHBondContact O-N 2.98Å; D127-V129 PolarHBondContact O-N 3.25Å; D127-E130 PolarHBondContact O-N 2.84Å; D127-M131 VanDerWaalsContact O-CB 3.28Å; D127-M131 WeakPolarHBondContact O-CB 3.46Å; D127-M131 WeakPolarHBondContact O-CG 3.38Å; D127-M131 PolarHBondContact O-N 3.29Å; D127-M131 WeakPolarHBondContact OD1-CE 3.47Å; D127-M131 WeakPolarHBondContact OD2-CE 3.46Å |
| 128 | L | 94.1 | Very high | 89.3 | Confident | 3 Ų | 3 | 48 Ų | 48 | 2% | 0.016 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -60.2 | -42.8 | 179.3 | -71.1 | 180 | 0 | 0 | 0 | 112.8 | Y90 L106 I107 I124 C132 L148 | Y90-L128 HydrophobicContact CE2-CD2 4.3Å; Y90-L128 WeakPolarHBondContact OH-CD2 3.38Å; L106-L128 HydrophobicContact CB-CD2 4.05Å; L106-L128 WeakPolarHBondContact O-CD2 3.47Å; I107-L128 HydrophobicContact CG1-CD2 4.26Å; I124-L128 HydrophobicContact CG2-CD1 3.59Å; I124-L128 HydrophobicContact CG2-CG 3.93Å; I124-L128 VanDerWaalsContact O-CB 3.31Å; I124-L128 WeakPolarHBondContact O-CB 3.34Å; I124-L128 VanDerWaalsContact O-CG 3.22Å; I124-L128 WeakPolarHBondContact O-CG 3.39Å; I124-L128 PolarHBondContact O-N 2.84Å; L128-C132 PolarHBondContact O-N 2.94Å; L128-C132 PolarHBondContact O-SG 2.87Å; L128-L148 HydrophobicContact CB-CD1 3.81Å; L128-L148 HydrophobicContact CD1-CD1 4.11Å |
| 129 | V | 94.4 | Very high | 90.4 | Very high | 7 Ų | 7 | 46.6 Ų | 46.6 | 4% | 0.042 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -71.9 | -35.6 | -178.8 | 82.1 | 0 | 0 | 0 | 0 | 112.2 | L125 R126 D127 L148 F225 F228 N229 | L125-V129 WeakPolarHBondContact O-CB 3.37Å; L125-V129 WeakPolarHBondContact O-CG1 3.18Å; L125-V129 PolarHBondContact O-N 2.96Å; L125-V129 VanDerWaalsContact O-N 3.14Å; R126-V129 WeakPolarHBondContact O-CG1 3.49Å; R126-V129 PolarHBondContact O-N 3.41Å; D127-V129 PolarHBondContact O-N 3.25Å; V129-L148 HydrophobicContact CB-CD2 4.24Å; V129-L148 HydrophobicContact CG2-CD2 4.01Å; V129-F225 HydrophobicContact CB-CD2 3.67Å; V129-F225 HydrophobicContact CB-CE2 3.7Å; V129-F225 HydrophobicContact CG1-CD2 4.02Å; V129-F225 HydrophobicContact CG2-CD2 3.96Å; V129-F225 HydrophobicContact CG2-CE2 3.91Å; V129-F228 HydrophobicContact CB-CD1 4.26Å; V129-F228 HydrophobicContact CG1-CD1 3.76Å; V129-F228 HydrophobicContact CG1-CE1 4.22Å; V129-F228 HydrophobicContact CG2-CD1 3.63Å; V129-F228 HydrophobicContact CG2-CE1 4.26Å; V129-N229 HydrophobicContact CG2-CB 3.9Å |
| 130 | E | 94.2 | Very high | 91.4 | Very high | 97 Ų | 97 | 44.8 Ų | 44.8 | 45% | 0.453 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -68.8 | -46.3 | 173.4 | -75.3 | 178.1 | -168.6 | 0 | 0 | 111.1 | R126 D127 C132 S133 | R126-E130 HydrophobicContact CG-CG 4.48Å; R126-E130 VanDerWaalsContact CG-OE1 3.25Å; R126-E130 WeakPolarHBondContact CG-OE1 3.3Å; R126-E130 WeakPolarHBondContact O-CB 3.38Å; R126-E130 VanDerWaalsContact O-CG 3.29Å; R126-E130 WeakPolarHBondContact O-CG 3.36Å; R126-E130 PolarHBondContact O-N 3.03Å; D127-E130 PolarHBondContact O-N 2.84Å; E130-C132 VanDerWaalsContact C-N 3.27Å; E130-C132 PolarHBondContact O-N 3.38Å; E130-S133 WeakPolarHBondContact O-CB 3.48Å; E130-S133 PolarHBondContact O-N 3.31Å; E130-S133 PolarHBondContact O-OG 3.43Å |
| 131 | M | 94.3 | Very high | 92 | Very high | 47 Ų | 47 | 43.9 Ų | 43.9 | 23% | 0.232 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -61.8 | -33.5 | 178.3 | -73.6 | -146 | -149.5 | 0 | 0 | 112.7 | L103 L106 D127 S133 G134 | L103-M131 HydrophobicContact CD2-CB 3.6Å; L103-M131 HydrophobicContact CD2-SD 4.36Å; L106-M131 HydrophobicContact CD1-CE 4.27Å; L106-M131 HydrophobicContact CD1-SD 3.59Å; L106-M131 VanDerWaalsContact CD1-SD 3.59Å; D127-M131 VanDerWaalsContact O-CB 3.28Å; D127-M131 WeakPolarHBondContact O-CB 3.46Å; D127-M131 WeakPolarHBondContact O-CG 3.38Å; D127-M131 PolarHBondContact O-N 3.29Å; D127-M131 WeakPolarHBondContact OD1-CE 3.47Å; D127-M131 WeakPolarHBondContact OD2-CE 3.46Å; M131-S133 PolarHBondContact O-N 2.94Å; M131-S133 VanDerWaalsContact O-N 3.13Å; M131-G134 PolarHBondContact O-N 3.09Å |
| 132 | C | 96.2 | Very high | 92.5 | Very high | 1 Ų | 1 | 41.5 Ų | 41.5 | 1% | 0.007 | 20% | 0.203 | C | C | . | . | G | 310 helix | trans | -60.2 | -19.4 | 173.4 | -75.1 | 0 | 0 | 0 | 0 | 113.3 | L128 E130 G134 V135 L144 R145 | L128-C132 PolarHBondContact O-N 2.94Å; L128-C132 PolarHBondContact O-SG 2.87Å; E130-C132 VanDerWaalsContact C-N 3.27Å; E130-C132 PolarHBondContact O-N 3.38Å; C132-G134 PolarHBondContact O-N 2.83Å; C132-V135 PolarHBondContact O-N 2.78Å; C132-L144 HydrophobicContact CB-CD2 4.48Å; C132-R145 HydrophobicContact CB-CG 4.15Å |
| 133 | S | 92.9 | Very high | 92.9 | Very high | 51 Ų | 51 | 36 Ų | 36 | 36% | 0.357 | 18% | 0.182 | S | C | . | . | G | 310 helix | trans | -64.7 | -16.5 | 172 | 75.7 | 0 | 0 | 0 | 0 | 113.4 | E130 M131 V135 Q136 | E130-S133 WeakPolarHBondContact O-CB 3.48Å; E130-S133 PolarHBondContact O-N 3.31Å; E130-S133 PolarHBondContact O-OG 3.43Å; M131-S133 PolarHBondContact O-N 2.94Å; M131-S133 VanDerWaalsContact O-N 3.13Å; S133-V135 PolarHBondContact O-N 3.47Å; S133-Q136 PolarHBondContact O-NE2 3.47Å |
| 134 | G | 92.4 | Very high | 93.4 | Very high | 41 Ų | 41 | 30.7 Ų | 30.7 | 42% | 0.423 | 16% | 0.158 | S | C | . | . | G | 310 helix | trans | -66.2 | -16.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | M131 C132 | M131-G134 PolarHBondContact O-N 3.09Å; C132-G134 PolarHBondContact O-N 2.83Å |
| 135 | V | 94.6 | Very high | 93.7 | Very high | 11 Ų | 11 | 30.4 Ų | 30.4 | 7% | 0.067 | 16% | 0.156 | C | C | . | . | trans | -110 | 95.2 | 178.5 | -179.3 | 0 | 0 | 0 | 0 | 110.3 | L100 L103 C132 S133 R140 L144 | L100-V135 HydrophobicContact CD1-CG1 4.11Å; L100-V135 HydrophobicContact CD1-CG2 3.94Å; L103-V135 HydrophobicContact CD1-CG2 3.58Å; C132-V135 PolarHBondContact O-N 2.78Å; S133-V135 PolarHBondContact O-N 3.47Å; V135-R140 HydrophobicContact CG1-CB 3.94Å; V135-L144 HydrophobicContact CB-CD2 3.97Å; V135-L144 HydrophobicContact CG2-CD2 3.82Å | ||
| 136 | Q | 92.4 | Very high | 93.9 | Very high | 76 Ų | 76 | 30.2 Ų | 30.2 | 36% | 0.355 | 16% | 0.155 | S | C | . | . | trans | -94.6 | -2.5 | -176.6 | -68.7 | -64.2 | -32.9 | 0 | 0 | 114.4 | S133 P138 L236 R239 | S133-Q136 PolarHBondContact O-NE2 3.47Å; Q136-P138 WeakPolarHBondContact O-CD 3.32Å; Q136-L236 WeakPolarHBondContact O-CD2 3.35Å; Q136-R239 PolarHBondContact O-NH1 2.85Å | ||
| 137 | H | 91.9 | Very high | 94.2 | Very high | 65 Ų | 65 | 24 Ų | 24 | 30% | 0.301 | 13% | 0.132 | S | C | . | . | trans | -67.8 | 123.8 | 173.1 | -175.6 | -67.5 | 0 | 0 | 0 | 109.2 | T139 R140 G141 | H137-T139 PolarHBondContact ND1-N 3.49Å; H137-T139 PolarHBondContact O-N 2.92Å; H137-R140 HydrophobicContact CB-CB 4.31Å; H137-R140 HydrophobicContact CB-CG 4.38Å; H137-R140 PolarHBondContact O-N 3.48Å; H137-G141 WeakPolarHBondContact O-CA 3.34Å; H137-G141 PolarHBondContact O-N 3.14Å | ||
| 138 | P | 91.8 | Very high | 94.3 | Very high | 2 Ų | 2 | 21.8 Ų | 21.8 | 1% | 0.013 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -51.9 | -57.7 | -171.5 | -34.2 | 41.4 | 0 | 0 | 0 | 115.6 | Q136 L142 L236 R239 M240 Q243 | Q136-P138 WeakPolarHBondContact O-CD 3.32Å; P138-L142 WeakPolarHBondContact O-CB 3.36Å; P138-L142 PolarHBondContact O-N 3.46Å; P138-L236 WeakPolarHBondContact CB-O 3.25Å; P138-R239 HydrophobicContact CG-CB 4.12Å; P138-R239 HydrophobicContact CG-CG 4.02Å; P138-M240 HydrophobicContact CB-CB 4.43Å; P138-M240 HydrophobicContact CB-CG 3.31Å; P138-M240 HydrophobicContact CB-SD 4.33Å; P138-M240 HydrophobicContact CG-CG 4.31Å; P138-Q243 VanDerWaalsContact CG-CD 3.48Å; P138-Q243 HydrophobicContact CG-CG 4.31Å |
| 139 | T | 90.8 | Very high | 94.4 | Very high | 14 Ų | 14 | 21.8 Ų | 21.8 | 9% | 0.086 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -60.1 | -54.9 | -179 | -44 | 0 | 0 | 0 | 0 | 111.8 | P55 Y58 H137 G141 L142 F143 | P55-T139 HydrophobicContact CB-CG2 4.38Å; Y58-T139 HydrophobicContact CD1-CG2 4.08Å; Y58-T139 HydrophobicContact CG-CG2 4.01Å; H137-T139 PolarHBondContact ND1-N 3.49Å; H137-T139 PolarHBondContact O-N 2.92Å; T139-G141 PolarHBondContact O-N 3.37Å; T139-L142 PolarHBondContact O-N 3.48Å; T139-F143 HydrophobicContact CG2-CD2 3.86Å; T139-F143 HydrophobicContact CG2-CE2 3.77Å; T139-F143 WeakPolarHBondContact O-CD2 3.46Å; T139-F143 PolarHBondContact O-N 3.26Å |
| 140 | R | 93.2 | Very high | 94.3 | Very high | 39 Ų | 39 | 24.8 Ų | 24.8 | 15% | 0.147 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -63.7 | -43.2 | -177.3 | -53.2 | -177.6 | -175.5 | 159 | 1.6 | 113 | R49 N50 Y58 V135 H137 L142 F143 L144 | R49-R140 VanDerWaalsContact C-NH2 3.29Å; R49-R140 PolarHBondContact O-NH1 3.43Å; R49-R140 PolarHBondContact O-NH2 3.43Å; N50-R140 PolarHBondContact O-NH2 3.05Å; Y58-R140 HydrophobicContact CE2-CG 4.04Å; Y58-R140 WeakPolarHBondContact OH-CG 3.38Å; V135-R140 HydrophobicContact CG1-CB 3.94Å; H137-R140 HydrophobicContact CB-CB 4.31Å; H137-R140 HydrophobicContact CB-CG 4.38Å; H137-R140 PolarHBondContact O-N 3.48Å; R140-L142 VanDerWaalsContact C-N 3.32Å; R140-F143 PolarHBondContact O-N 2.95Å; R140-L144 WeakPolarHBondContact O-CB 3.3Å; R140-L144 PolarHBondContact O-N 3.26Å |
| 141 | G | 94.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -64.6 | -39.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111 | H137 T139 R145 | H137-G141 WeakPolarHBondContact O-CA 3.34Å; H137-G141 PolarHBondContact O-N 3.14Å; T139-G141 PolarHBondContact O-N 3.37Å; G141-R145 VanDerWaalsContact O-CB 3.28Å; G141-R145 WeakPolarHBondContact O-CB 3.44Å; G141-R145 VanDerWaalsContact O-CG 3.25Å; G141-R145 WeakPolarHBondContact O-CG 3.18Å; G141-R145 PolarHBondContact O-N 3.4Å |
| 142 | L | 95.1 | Very high | 94 | Very high | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -64.1 | -46.3 | 176.1 | -168.9 | 70.5 | 0 | 0 | 0 | 111.4 | P138 T139 R140 S146 M233 L259 L262 V263 | P138-L142 WeakPolarHBondContact O-CB 3.36Å; P138-L142 PolarHBondContact O-N 3.46Å; T139-L142 PolarHBondContact O-N 3.48Å; R140-L142 VanDerWaalsContact C-N 3.32Å; L142-S146 VanDerWaalsContact O-CB 3.28Å; L142-S146 WeakPolarHBondContact O-CB 3.48Å; L142-S146 PolarHBondContact O-N 2.95Å; L142-M233 HydrophobicContact CD1-CB 3.91Å; L142-M233 HydrophobicContact CD1-CE 3.54Å; L142-M233 HydrophobicContact CD1-CG 4.19Å; L142-M233 HydrophobicContact CG-CE 4.16Å; L142-M233 WeakPolarHBondContact O-CE 3.46Å; L142-L259 HydrophobicContact CD2-CB 4.02Å; L142-L259 HydrophobicContact CD2-CD1 4.01Å; L142-L262 HydrophobicContact CD1-CB 4.46Å; L142-L262 HydrophobicContact CD2-CB 4.33Å; L142-L262 HydrophobicContact CD2-CD1 3.81Å; L142-L262 HydrophobicContact CG-CB 4.17Å; L142-L262 HydrophobicContact CG-CD1 3.96Å; L142-V263 HydrophobicContact CD1-CG2 3.76Å |
| 143 | F | 96 | Very high | 93.6 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -69.3 | -38.9 | 177.2 | -79.9 | -68.3 | 0 | 0 | 0 | 113.4 | Y58 Y59 Y62 T139 R140 S146 Y147 L259 L262 | Y58-F143 HydrophobicContact CD1-CB 4.33Å; Y58-F143 AromaticContact CD1-CD2 3.19Å; Y58-F143 HydrophobicContact CD1-CD2 3.19Å; Y58-F143 AromaticContact CD1-CE2 3.55Å; Y58-F143 HydrophobicContact CD1-CE2 3.55Å; Y58-F143 AromaticContact CD1-CG 3.81Å; Y58-F143 HydrophobicContact CD1-CG 3.81Å; Y58-F143 HydrophobicContact CD1-CZ 4.43Å; Y58-F143 HydrophobicContact CE1-CB 3.75Å; Y58-F143 AromaticContact CE1-CD2 3.44Å; Y58-F143 HydrophobicContact CE1-CD2 3.44Å; Y58-F143 VanDerWaalsContact CE1-CD2 3.44Å; Y58-F143 HydrophobicContact CE1-CE2 4.27Å; Y58-F143 AromaticContact CE1-CG 3.75Å; Y58-F143 HydrophobicContact CE1-CG 3.75Å; Y58-F143 HydrophobicContact CG-CD2 4.32Å; Y58-F143 HydrophobicContact CG-CE2 4.4Å; Y59-F143 AromaticContact CD2-CE1 3.54Å; Y59-F143 HydrophobicContact CD2-CE1 3.54Å; Y59-F143 HydrophobicContact CD2-CZ 4.05Å; Y59-F143 HydrophobicContact CE2-CE1 4.42Å; Y59-F143 HydrophobicContact CG-CE1 4.29Å; Y59-F143 HydrophobicContact CG-CZ 4.36Å; Y62-F143 AromaticContact CD1-CD1 3.94Å; Y62-F143 HydrophobicContact CD1-CD1 3.94Å; Y62-F143 HydrophobicContact CD1-CE1 4.3Å; Y62-F143 HydrophobicContact CD2-CB 3.77Å; Y62-F143 AromaticContact CD2-CD1 3.7Å; Y62-F143 HydrophobicContact CD2-CD1 3.7Å; Y62-F143 HydrophobicContact CD2-CG 4.05Å; Y62-F143 HydrophobicContact CE1-CD1 4.31Å; Y62-F143 HydrophobicContact CE2-CB 4.03Å; Y62-F143 HydrophobicContact CE2-CD1 4.04Å; Y62-F143 VanDerWaalsContact CE2-O 3.29Å; Y62-F143 WeakPolarHBondContact CE2-O 3.36Å; Y62-F143 HydrophobicContact CG-CB 4.49Å; Y62-F143 AromaticContact CG-CD1 3.64Å; Y62-F143 HydrophobicContact CG-CD1 3.64Å; Y62-F143 HydrophobicContact CG-CE1 4.27Å; Y62-F143 HydrophobicContact CG-CG 4.29Å; T139-F143 HydrophobicContact CG2-CD2 3.86Å; T139-F143 HydrophobicContact CG2-CE2 3.77Å; T139-F143 WeakPolarHBondContact O-CD2 3.46Å; T139-F143 PolarHBondContact O-N 3.26Å; R140-F143 PolarHBondContact O-N 2.95Å; F143-S146 WeakPolarHBondContact O-CB 3.5Å; F143-S146 PolarHBondContact O-N 3.42Å; F143-Y147 PolarHBondContact O-N 2.95Å; F143-L259 HydrophobicContact CE2-CD2 4.06Å; F143-L259 HydrophobicContact CZ-CD2 3.61Å; F143-L262 HydrophobicContact CD1-CD1 3.97Å; F143-L262 HydrophobicContact CE1-CD1 3.55Å; F143-L262 HydrophobicContact CE1-CD2 4.46Å; F143-L262 HydrophobicContact CE2-CD1 4.46Å; F143-L262 HydrophobicContact CZ-CD1 3.85Å |
| 144 | L | 96.9 | Very high | 93 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -61 | -47.1 | 174.5 | 175.4 | 67.9 | 0 | 0 | 0 | 111.1 | L100 L103 Y104 I107 C132 V135 R140 S146 Y147 L148 | L100-L144 HydrophobicContact CD1-CB 4.49Å; L100-L144 HydrophobicContact CD1-CD2 4.26Å; L103-L144 HydrophobicContact CB-CD1 3.91Å; L103-L144 HydrophobicContact CB-CD2 3.91Å; L103-L144 HydrophobicContact CD1-CD2 3.64Å; L103-L144 HydrophobicContact CG-CD2 4.42Å; Y104-L144 HydrophobicContact CD1-CD1 4.26Å; Y104-L144 HydrophobicContact CD2-CD1 3.65Å; Y104-L144 HydrophobicContact CE1-CD1 4.29Å; Y104-L144 HydrophobicContact CE2-CB 4.24Å; Y104-L144 HydrophobicContact CE2-CD1 3.69Å; Y104-L144 HydrophobicContact CG-CD1 3.94Å; Y104-L144 PolarHBondContact OH-N 3.28Å; I107-L144 HydrophobicContact CD1-CD1 3.69Å; I107-L144 HydrophobicContact CD1-CG 4.38Å; C132-L144 HydrophobicContact CB-CD2 4.48Å; V135-L144 HydrophobicContact CB-CD2 3.97Å; V135-L144 HydrophobicContact CG2-CD2 3.82Å; R140-L144 WeakPolarHBondContact O-CB 3.3Å; R140-L144 PolarHBondContact O-N 3.26Å; L144-S146 VanDerWaalsContact C-N 3.33Å; L144-Y147 WeakPolarHBondContact O-CB 3.34Å; L144-Y147 PolarHBondContact O-N 3.42Å; L144-Y147 VanDerWaalsContact O-N 3.15Å; L144-L148 PolarHBondContact O-N 3.28Å |
| 145 | R | 96.9 | Very high | 92.4 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -69.2 | -31.4 | 177.5 | -72.2 | 177.9 | 172.9 | -83.4 | 4.3 | 112.6 | C132 G141 Y147 L148 L149 N229 E232 M233 | C132-R145 HydrophobicContact CB-CG 4.15Å; G141-R145 VanDerWaalsContact O-CB 3.28Å; G141-R145 WeakPolarHBondContact O-CB 3.44Å; G141-R145 VanDerWaalsContact O-CG 3.25Å; G141-R145 WeakPolarHBondContact O-CG 3.18Å; G141-R145 PolarHBondContact O-N 3.4Å; R145-Y147 VanDerWaalsContact C-N 3.34Å; R145-L148 WeakPolarHBondContact O-CB 3.31Å; R145-L148 PolarHBondContact O-N 3.12Å; R145-L149 WeakPolarHBondContact O-CB 3.4Å; R145-L149 PolarHBondContact O-N 2.81Å; R145-N229 WeakPolarHBondContact CB-OD1 3.49Å; R145-N229 WeakPolarHBondContact CG-OD1 3.32Å; R145-N229 PolarHBondContact NH1-OD1 2.98Å; R145-N229 PolarHBondContact O-ND2 3.04Å; R145-E232 VanDerWaalsContact NH2-CB 3.29Å; R145-E232 IonicContact NH2-OE2 3.84Å; R145-M233 HydrophobicContact CB-CE 4.3Å; R145-M233 HydrophobicContact CB-CG 3.51Å; R145-M233 HydrophobicContact CB-SD 3.64Å; R145-M233 HydrophobicContact CG-CG 4.22Å |
| 146 | S | 95.2 | Very high | 91.9 | Very high | 1 Ų | 1 | 27.5 Ų | 27.5 | 1% | 0.007 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -65.1 | -38.9 | 169 | -175.9 | 0 | 0 | 0 | 0 | 111.4 | L142 F143 L144 L149 Q150 L262 | L142-S146 VanDerWaalsContact O-CB 3.28Å; L142-S146 WeakPolarHBondContact O-CB 3.48Å; L142-S146 PolarHBondContact O-N 2.95Å; F143-S146 WeakPolarHBondContact O-CB 3.5Å; F143-S146 PolarHBondContact O-N 3.42Å; L144-S146 VanDerWaalsContact C-N 3.33Å; S146-L149 PolarHBondContact O-N 3.12Å; S146-Q150 VanDerWaalsContact O-CB 3.31Å; S146-Q150 WeakPolarHBondContact O-CB 3.4Å; S146-Q150 WeakPolarHBondContact O-CG 3.16Å; S146-Q150 PolarHBondContact O-N 3.43Å; S146-Q150 PolarHBondContact OG-NE2 3.21Å; S146-Q150 VanDerWaalsContact OG-NE2 3.14Å; S146-L262 WeakPolarHBondContact OG-CD2 3.19Å |
| 147 | Y | 96.6 | Very high | 91.7 | Very high | 2 Ų | 2 | 24 Ų | 24 | 1% | 0.008 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -66.8 | -40.9 | 175.3 | -179.6 | -115 | 0 | 0 | 0 | 112.2 | Y62 T66 L69 Y104 I107 T108 F143 L144 R145 L149 Q150 S151 | Y62-Y147 VanDerWaalsContact OH-CA 3.32Å; Y62-Y147 WeakPolarHBondContact OH-CA 3.45Å; Y62-Y147 PolarHBondContact OH-N 3.4Å; T66-Y147 HydrophobicContact CG2-CD2 3.34Å; T66-Y147 HydrophobicContact CG2-CE2 3.73Å; T66-Y147 HydrophobicContact CG2-CG 4.07Å; L69-Y147 WeakPolarHBondContact CB-OH 3.03Å; L69-Y147 HydrophobicContact CD1-CE1 4.02Å; L69-Y147 HydrophobicContact CD1-CE2 4.44Å; Y104-Y147 AromaticContact CD1-CD1 3.33Å; Y104-Y147 HydrophobicContact CD1-CD1 3.33Å; Y104-Y147 AromaticContact CD1-CE1 3.76Å; Y104-Y147 HydrophobicContact CD1-CE1 3.76Å; Y104-Y147 AromaticContact CD1-CG 3.83Å; Y104-Y147 HydrophobicContact CD1-CG 3.83Å; Y104-Y147 AromaticContact CE1-CD1 3.68Å; Y104-Y147 HydrophobicContact CE1-CD1 3.68Å; Y104-Y147 HydrophobicContact CE1-CD2 4.48Å; Y104-Y147 HydrophobicContact CE1-CE1 4.46Å; Y104-Y147 AromaticContact CE1-CG 3.69Å; Y104-Y147 HydrophobicContact CE1-CG 3.69Å; Y104-Y147 HydrophobicContact CG-CD1 4.37Å; I107-Y147 HydrophobicContact CB-CD1 4.06Å; I107-Y147 HydrophobicContact CB-CE1 3.88Å; I107-Y147 HydrophobicContact CD1-CD1 3.95Å; I107-Y147 HydrophobicContact CG2-CD1 3.73Å; I107-Y147 HydrophobicContact CG2-CE1 3.6Å; T108-Y147 PolarHBondContact OG1-OH 3.33Å; F143-Y147 PolarHBondContact O-N 2.95Å; L144-Y147 WeakPolarHBondContact O-CB 3.34Å; L144-Y147 PolarHBondContact O-N 3.42Å; L144-Y147 VanDerWaalsContact O-N 3.15Å; R145-Y147 VanDerWaalsContact C-N 3.34Å; Y147-L149 VanDerWaalsContact C-N 3.33Å; Y147-L149 PolarHBondContact O-N 3.07Å; Y147-Q150 PolarHBondContact O-N 3.07Å; Y147-S151 WeakPolarHBondContact CD2-OG 3.45Å; Y147-S151 WeakPolarHBondContact CE2-OG 3.46Å; Y147-S151 VanDerWaalsContact CZ-OG 3.31Å; Y147-S151 VanDerWaalsContact O-CB 3.26Å; Y147-S151 WeakPolarHBondContact O-CB 3.4Å; Y147-S151 PolarHBondContact O-N 3.43Å; Y147-S151 PolarHBondContact O-OG 3.42Å |
| 148 | L | 96.2 | Very high | 91.4 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -53.4 | -52.4 | 171.6 | 176.4 | 67.6 | 0 | 0 | 0 | 110.4 | I107 L128 V129 L144 R145 S151 L152 F225 | I107-L148 HydrophobicContact CD1-CB 3.83Å; I107-L148 HydrophobicContact CD1-CD1 4.21Å; I107-L148 HydrophobicContact CG1-CB 4.41Å; I107-L148 HydrophobicContact CG1-CD1 3.87Å; I107-L148 HydrophobicContact CG2-CD1 4.29Å; L128-L148 HydrophobicContact CB-CD1 3.81Å; L128-L148 HydrophobicContact CD1-CD1 4.11Å; V129-L148 HydrophobicContact CB-CD2 4.24Å; V129-L148 HydrophobicContact CG2-CD2 4.01Å; L144-L148 PolarHBondContact O-N 3.28Å; R145-L148 WeakPolarHBondContact O-CB 3.31Å; R145-L148 PolarHBondContact O-N 3.12Å; L148-S151 PolarHBondContact O-N 2.78Å; L148-L152 HydrophobicContact CD1-CD1 3.49Å; L148-L152 VanDerWaalsContact CD1-CD1 3.49Å; L148-L152 HydrophobicContact CD1-CG 4.47Å; L148-L152 HydrophobicContact CG-CD1 4.07Å; L148-L152 WeakPolarHBondContact O-CB 3.1Å; L148-L152 WeakPolarHBondContact O-CG 3.28Å; L148-L152 PolarHBondContact O-N 3Å; L148-F225 HydrophobicContact CD1-CE2 4.39Å; L148-F225 HydrophobicContact CD1-CZ 4.36Å; L148-F225 HydrophobicContact CD2-CE2 3.93Å; L148-F225 HydrophobicContact CD2-CZ 4Å; L148-F225 HydrophobicContact CG-CE2 4.23Å; L148-F225 HydrophobicContact CG-CZ 3.94Å |
| 149 | L | 95.4 | Very high | 90.9 | Very high | 4 Ų | 4 | 23 Ų | 23 | 2% | 0.021 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -65.1 | -40.1 | -179.9 | -176.8 | 69.6 | 0 | 0 | 0 | 113.3 | R145 S146 Y147 L226 A265 N266 R269 | R145-L149 WeakPolarHBondContact O-CB 3.4Å; R145-L149 PolarHBondContact O-N 2.81Å; S146-L149 PolarHBondContact O-N 3.12Å; Y147-L149 VanDerWaalsContact C-N 3.33Å; Y147-L149 PolarHBondContact O-N 3.07Å; L149-L226 HydrophobicContact CD1-CD2 3.48Å; L149-L226 VanDerWaalsContact CD1-CD2 3.48Å; L149-A265 HydrophobicContact CD2-CB 3.67Å; L149-N266 HydrophobicContact CD2-CB 4.35Å; L149-R269 HydrophobicContact CD1-CB 3.94Å; L149-R269 HydrophobicContact CD1-CG 3.98Å; L149-R269 PolarHBondContact O-NH1 3.24Å |
| 150 | Q | 93.3 | Very high | 90.3 | Very high | 69 Ų | 69 | 26.6 Ų | 26.6 | 32% | 0.322 | 13% | 0.13 | S | C | . | . | H | α-helix | trans | -70.4 | -35.6 | 180 | -75.7 | 173 | 9 | 0 | 0 | 112.2 | Y62 S146 Y147 | Y62-Q150 PolarHBondContact OH-OE1 3.36Å; S146-Q150 VanDerWaalsContact O-CB 3.31Å; S146-Q150 WeakPolarHBondContact O-CB 3.4Å; S146-Q150 WeakPolarHBondContact O-CG 3.16Å; S146-Q150 PolarHBondContact O-N 3.43Å; S146-Q150 PolarHBondContact OG-NE2 3.21Å; S146-Q150 VanDerWaalsContact OG-NE2 3.14Å; Y147-Q150 PolarHBondContact O-N 3.07Å |
| 151 | S | 92.2 | Very high | 89.3 | Confident | 10 Ų | 10 | 30.7 Ų | 30.7 | 7% | 0.07 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -75.5 | -34.9 | 178.8 | -52.7 | 0 | 0 | 0 | 0 | 111.8 | Y147 L148 R153 | Y147-S151 WeakPolarHBondContact CD2-OG 3.45Å; Y147-S151 WeakPolarHBondContact CE2-OG 3.46Å; Y147-S151 VanDerWaalsContact CZ-OG 3.31Å; Y147-S151 VanDerWaalsContact O-CB 3.26Å; Y147-S151 WeakPolarHBondContact O-CB 3.4Å; Y147-S151 PolarHBondContact O-N 3.43Å; Y147-S151 PolarHBondContact O-OG 3.42Å; L148-S151 PolarHBondContact O-N 2.78Å; S151-R153 PolarHBondContact O-N 3.37Å |
| 152 | L | 90.1 | Very high | 88.1 | Confident | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 17% | 0.168 | C | C | . | . | S | Bend | trans | -89.5 | 73.7 | 175.4 | -68 | 167.5 | 0 | 0 | 0 | 111.6 | V111 I114 L125 L148 F225 R269 | V111-L152 HydrophobicContact CG2-CD2 3.79Å; V111-L152 HydrophobicContact CG2-CG 4.06Å; I114-L152 HydrophobicContact CD1-CD2 3.53Å; L125-L152 HydrophobicContact CD2-CD1 3.51Å; L125-L152 HydrophobicContact CD2-CD2 3.81Å; L125-L152 HydrophobicContact CD2-CG 4.24Å; L148-L152 HydrophobicContact CD1-CD1 3.49Å; L148-L152 VanDerWaalsContact CD1-CD1 3.49Å; L148-L152 HydrophobicContact CD1-CG 4.47Å; L148-L152 HydrophobicContact CG-CD1 4.07Å; L148-L152 WeakPolarHBondContact O-CB 3.1Å; L148-L152 WeakPolarHBondContact O-CG 3.28Å; L148-L152 PolarHBondContact O-N 3Å; L152-F225 HydrophobicContact CD1-CE1 4.15Å; L152-F225 HydrophobicContact CD1-CE2 3.87Å; L152-F225 HydrophobicContact CD1-CZ 3.38Å; L152-R269 PolarHBondContact O-NH1 3.35Å |
| 153 | R | 85.8 | Confident | 86.2 | Confident | 134 Ų | 134 | 37.1 Ų | 37.1 | 51% | 0.506 | 19% | 0.191 | S | C | . | . | trans | -58.4 | 162.9 | 176.2 | -63.7 | -177 | -172 | 176.2 | 1.8 | 112.5 | S151 D155 L156 L157 R269 | S151-R153 PolarHBondContact O-N 3.37Å; R153-D155 VanDerWaalsContact C-N 3.26Å; R153-D155 WeakPolarHBondContact CB-OD1 3.22Å; R153-D155 PolarHBondContact O-N 2.93Å; R153-L156 WeakPolarHBondContact O-CB 3.29Å; R153-L156 PolarHBondContact O-N 3.02Å; R153-L157 PolarHBondContact O-N 3.41Å; R153-R269 VanDerWaalsContact CA-NH1 3.35Å | ||
| 154 | S | 80.4 | Confident | 83.7 | Confident | 45 Ų | 45 | 42.7 Ų | 42.7 | 32% | 0.315 | 23% | 0.227 | S | C | . | . | G | 310 helix | trans | -55.7 | -38.9 | -177.1 | 43.6 | 0 | 0 | 0 | 0 | 112.8 | L156 L157 | S154-L156 PolarHBondContact O-N 3.26Å; S154-L156 VanDerWaalsContact O-N 3.16Å; S154-L157 PolarHBondContact O-N 3.43Å; S154-L157 VanDerWaalsContact O-N 3.12Å |
| 155 | D | 80.8 | Confident | 81 | Confident | 107 Ų | 107 | 48 Ų | 48 | 57% | 0.572 | 27% | 0.265 | S | S | * | . | G | 310 helix | trans | -63.1 | -19.3 | 176.9 | 59.6 | -61.5 | 0 | 0 | 0 | 114.3 | R153 | R153-D155 VanDerWaalsContact C-N 3.26Å; R153-D155 WeakPolarHBondContact CB-OD1 3.22Å; R153-D155 PolarHBondContact O-N 2.93Å |
| 156 | L | 84.8 | Confident | 78 | Confident | 9 Ų | 9 | 55.1 Ų | 55.1 | 5% | 0.047 | 30% | 0.301 | C | S | . | . | G | 310 helix | trans | -96.1 | -13.2 | 179.4 | -55 | 179.6 | 0 | 0 | 0 | 112.8 | V111 I114 K115 R121 R153 S154 | V111-L156 HydrophobicContact CG1-CD1 4Å; I114-L156 HydrophobicContact CG2-CB 4.17Å; I114-L156 HydrophobicContact CG2-CD2 4.45Å; K115-L156 HydrophobicContact CD-CD2 4.41Å; K115-L156 HydrophobicContact CG-CD1 4.23Å; K115-L156 HydrophobicContact CG-CD2 3.55Å; R121-L156 VanDerWaalsContact CD-O 3.28Å; R121-L156 WeakPolarHBondContact CD-O 3.29Å; R121-L156 PolarHBondContact NH1-O 3.05Å; R153-L156 WeakPolarHBondContact O-CB 3.29Å; R153-L156 PolarHBondContact O-N 3.02Å; S154-L156 PolarHBondContact O-N 3.26Å; S154-L156 VanDerWaalsContact O-N 3.16Å |
| 157 | L | 88.1 | Confident | 75 | Confident | 3 Ų | 3 | 60.8 Ų | 60.8 | 2% | 0.016 | 34% | 0.337 | C | S | . | . | S | Bend | trans | -81.5 | 139.2 | 175.5 | -67.1 | 175 | 0 | 0 | 0 | 109.1 | L125 R153 S154 D159 F225 L226 R269 L273 | L125-L157 HydrophobicContact CD1-CD2 4.19Å; L125-L157 HydrophobicContact CD2-CD2 4.07Å; R153-L157 PolarHBondContact O-N 3.41Å; S154-L157 PolarHBondContact O-N 3.43Å; S154-L157 VanDerWaalsContact O-N 3.12Å; L157-D159 PolarHBondContact O-N 2.86Å; L157-F225 HydrophobicContact CD2-CD1 3.92Å; L157-F225 HydrophobicContact CD2-CE1 4.03Å; L157-L226 HydrophobicContact CD1-CD1 4.06Å; L157-L226 HydrophobicContact CD1-CD2 4.27Å; L157-L226 HydrophobicContact CD1-CG 4.34Å; L157-R269 HydrophobicContact CD1-CG 3.94Å; L157-L273 HydrophobicContact CB-CD2 4.13Å; L157-L273 HydrophobicContact CD1-CD2 4.16Å |
| 158 | P | 84.7 | Confident | 72.1 | Confident | 2 Ų | 2 | 66.7 Ų | 66.7 | 1% | 0.013 | 37% | 0.373 | C | S | . | . | trans | -62.3 | 121.6 | 173.1 | 9.6 | -12 | 0 | 0 | 0 | 111 | L125 Q216 G217 I219 S222 | L125-P158 VanDerWaalsContact CD1-CD 3.47Å; L125-P158 HydrophobicContact CD1-CG 4.01Å; P158-Q216 WeakPolarHBondContact CB-O 3.41Å; P158-G217 VanDerWaalsContact CB-C 3.4Å; P158-G217 VanDerWaalsContact CB-O 3.27Å; P158-G217 WeakPolarHBondContact CB-O 3.35Å; P158-I219 WeakPolarHBondContact O-CA 3.49Å; P158-S222 WeakPolarHBondContact CD-OG 3.4Å; P158-S222 WeakPolarHBondContact CG-OG 3.3Å; P158-S222 WeakPolarHBondContact O-CB 3.46Å; P158-S222 PolarHBondContact O-OG 3.1Å | ||
| 159 | D | 80.9 | Confident | 69.1 | Low | 45 Ų | 45 | 70.8 Ų | 70.8 | 24% | 0.241 | 41% | 0.408 | C | S | . | . | trans | -123.5 | 37.1 | -179.1 | -157.7 | 0.9 | 0 | 0 | 0 | 110.4 | L157 I219 E274 S275 | L157-D159 PolarHBondContact O-N 2.86Å; D159-I219 WeakPolarHBondContact OD1-CD1 3.27Å; D159-E274 PolarHBondContact OD2-N 3.48Å; D159-S275 PolarHBondContact O-OG 3.3Å; D159-S275 WeakPolarHBondContact OD1-CB 3.41Å; D159-S275 PolarHBondContact OD1-N 3.39Å; D159-S275 PolarHBondContact OD1-OG 3.43Å | ||
| 160 | I | 79.4 | Confident | 66.2 | Low | 88 Ų | 88 | 76.4 Ų | 76.4 | 45% | 0.451 | 44% | 0.442 | S | S | . | . | trans | -104.6 | 132.7 | 178.7 | -55.2 | 171.8 | 0 | 0 | 0 | 107.8 | T218 I219 | I160-T218 WeakPolarHBondContact O-CA 3.4Å; I160-T218 WeakPolarHBondContact O-CB 3.39Å; I160-I219 PolarHBondContact O-N 3.35Å | ||
| 161 | E | 72.3 | Confident | 63.3 | Low | 126 Ų | 126 | 80.2 Ų | 80.2 | 59% | 0.589 | 46% | 0.464 | S | S | * | . | trans | -59.7 | 150.7 | 175.7 | -69.4 | -174.4 | 173.6 | 0 | 0 | 112.3 | S163 | E161-S163 PolarHBondContact O-N 3.29Å; E161-S163 VanDerWaalsContact O-N 3.08Å | ||
| 162 | D | 69.1 | Low | 60.1 | Low | 66 Ų | 66 | 88 Ų | 88 | 35% | 0.353 | 50% | 0.5 | S | S | . | . | trans | -61.5 | 113.7 | 174.5 | -57.7 | -51.1 | 0 | 0 | 0 | 108.8 | T218 R280 | D162-T218 VanDerWaalsContact OD1-CB 3.25Å; D162-T218 WeakPolarHBondContact OD1-CB 3.5Å; D162-T218 PolarHBondContact OD1-OG1 2.83Å; D162-R280 IonicContact OD2-CZ 3.6Å; D162-R280 VanDerWaalsContact OD2-CZ 3.3Å; D162-R280 IonicContact OD2-NH1 3.77Å; D162-R280 PolarHBondContact OD2-NH1 3.38Å; D162-R280 IonicContact OD2-NH2 3.77Å; D162-R280 PolarHBondContact OD2-NH2 3.31Å | ||
| 163 | S | 54.9 | Low | 57.3 | Low | 69 Ų | 69 | 94.2 Ų | 94.2 | 48% | 0.483 | 54% | 0.538 | S | S | . | . | trans | -56.3 | 129.2 | 176.5 | -66.5 | 0 | 0 | 0 | 0 | 109.6 | E161 S165 | E161-S163 PolarHBondContact O-N 3.29Å; E161-S163 VanDerWaalsContact O-N 3.08Å; S163-S165 PolarHBondContact O-N 3.06Å | ||
| 164 | P | 44 | Very low | 54.5 | Low | 117 Ų | 117 | 96.4 Ų | 96.4 | 76% | 0.76 | 55% | 0.554 | S | S | * | * | trans | -62 | 116.3 | -175.8 | 22.6 | -31.2 | 0 | 0 | 0 | 109.2 | I166 | P164-I166 PolarHBondContact O-N 3.37Š| ||
| 165 | S | 38.9 | Very low | 51.7 | Low | 112 Ų | 112 | 100.2 Ų | 100.2 | 78% | 0.783 | 58% | 0.581 | S | S | * | * | trans | -56.4 | 105.2 | 172.2 | 49.7 | 0 | 0 | 0 | 0 | 109.1 | S163 P167 | S163-S165 PolarHBondContact O-N 3.06Å; S165-P167 WeakPolarHBondContact O-CD 3.24Å | ||
| 166 | I | 34 | Very low | 49.2 | Very low | 148 Ų | 148 | 99 Ų | 99 | 76% | 0.759 | 59% | 0.593 | S | S | * | * | trans | -59 | 121.4 | 166 | -61.3 | 170 | 0 | 0 | 0 | 106.1 | P164 V168 | P164-I166 PolarHBondContact O-N 3.37Å; I166-V168 PolarHBondContact O-N 3.29Å | ||
| 167 | P | 33.8 | Very low | 46.2 | Very low | 120 Ų | 120 | 104 Ų | 104 | 78% | 0.779 | 63% | 0.628 | S | S | * | * | trans | -68.6 | 103.3 | -177.1 | 26.8 | -31.1 | 0 | 0 | 0 | 108.6 | S165 A169 | S165-P167 WeakPolarHBondContact O-CD 3.24Å; P167-A169 PolarHBondContact O-N 3.12Å | ||
| 168 | V | 34.9 | Very low | 43.2 | Very low | 126 Ų | 126 | 111 Ų | 111 | 76% | 0.764 | 67% | 0.666 | S | S | * | * | trans | -70.9 | 115.3 | 170.6 | 178 | 0 | 0 | 0 | 0 | 107.2 | I166 V170 | I166-V168 PolarHBondContact O-N 3.29Å; V168-V170 PolarHBondContact O-N 3.3Å | ||
| 169 | A | 32.9 | Very low | 40.3 | Very low | 87 Ų | 87 | 119.7 Ų | 119.7 | 72% | 0.719 | 70% | 0.704 | S | S | * | * | trans | -54.5 | 110.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110 | P167 N171 | P167-A169 PolarHBondContact O-N 3.12Å; A169-N171 PolarHBondContact O-N 3.43Å; A169-N171 VanDerWaalsContact O-N 3.17Å | ||
| 170 | V | 35.6 | Very low | 37.7 | Very low | 122 Ų | 122 | 125.1 Ų | 125.1 | 74% | 0.739 | 73% | 0.733 | S | S | * | * | trans | -75.3 | 101 | 175.7 | -178.4 | 0 | 0 | 0 | 0 | 107.3 | V168 E172 | V168-V170 PolarHBondContact O-N 3.3Å; V170-E172 HydrophobicContact CG1-CG 4.42Å; V170-E172 PolarHBondContact O-N 2.96Å | ||
| 171 | N | 32.5 | Very low | 35 | Very low | 148 Ų | 148 | 126.5 Ų | 126.5 | 79% | 0.791 | 75% | 0.75 | S | S | * | * | trans | -74.8 | 99.6 | 161.8 | -78.7 | -18.8 | 0 | 0 | 0 | 107.7 | A169 T173 | A169-N171 PolarHBondContact O-N 3.43Å; A169-N171 VanDerWaalsContact O-N 3.17Å; N171-T173 PolarHBondContact O-N 2.8Å | ||
| 172 | E | 24.7 | Very low | 32.7 | Very low | 174 Ų | 174 | 123.9 Ų | 123.9 | 81% | 0.813 | 76% | 0.757 | S | S | * | * | trans | -59 | 115.1 | 166.9 | -64.1 | 179.1 | 156.9 | 0 | 0 | 109.7 | V170 | V170-E172 HydrophobicContact CG1-CG 4.42Å; V170-E172 PolarHBondContact O-N 2.96Å | ||
| 173 | T | 30.9 | Very low | 30.4 | Very low | 130 Ų | 130 | 129.9 Ų | 129.9 | 80% | 0.798 | 78% | 0.78 | S | S | * | * | trans | -147.1 | 89.4 | 152.3 | 21.3 | 0 | 0 | 0 | 0 | 108.4 | N171 | N171-T173 PolarHBondContact O-N 2.8Š| ||
| 174 | E | 26.5 | Very low | 28.9 | Very low | 180 Ų | 180 | 133.2 Ų | 133.2 | 84% | 0.841 | 79% | 0.792 | S | S | * | * | trans | 27.6 | 105.7 | 138.2 | -62.9 | -177.7 | 156.2 | 0 | 0 | 117 | ||||
| 175 | S | 22.8 | Very low | 27.9 | Very low | 126 Ų | 126 | 132.9 Ų | 132.9 | 88% | 0.881 | 79% | 0.792 | S | S | * | * | 70.1 | 92.2 | 93.9 | -63.9 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 176 | G | 27.1 | Very low | 28.2 | Very low | 81 Ų | 81 | 133.4 Ų | 133.4 | 84% | 0.835 | 79% | 0.793 | S | S | * | * | trans | -157.5 | 85.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 177 | S | 22.4 | Very low | 27.8 | Very low | 113 Ų | 113 | 130.1 Ų | 130.1 | 79% | 0.79 | 80% | 0.796 | S | S | * | * | trans | -65.5 | 131.5 | -178 | -20.3 | 0 | 0 | 0 | 0 | 114 | ||||
| 178 | N | 25.9 | Very low | 27.3 | Very low | 150 Ų | 150 | 132.1 Ų | 132.1 | 80% | 0.802 | 80% | 0.795 | S | S | * | * | trans | 168.9 | 105.5 | 134.9 | -101.7 | -22.6 | 0 | 0 | 0 | 109.3 | ||||
| 179 | K | 22.2 | Very low | 26.8 | Very low | 185 Ų | 185 | 132.4 Ų | 132.4 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | 31 | 99.4 | 94.9 | -73.2 | -171.4 | -179.8 | 179.4 | 0 | 113.3 | |||||
| 180 | N | 26.3 | Very low | 26.5 | Very low | 159 Ų | 159 | 137 Ų | 137 | 85% | 0.85 | 80% | 0.795 | S | S | * | * | -167.2 | 137.7 | 116.4 | -97.5 | -17.4 | 0 | 0 | 0 | 113.5 | |||||
| 181 | S | 22.7 | Very low | 25.9 | Very low | 117 Ų | 117 | 137.9 Ų | 137.9 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | trans | -57.3 | 149.2 | 171.6 | 51.1 | 0 | 0 | 0 | 0 | 115 | ||||
| 182 | G | 24.3 | Very low | 25.8 | Very low | 71 Ų | 71 | 138.1 Ų | 138.1 | 73% | 0.732 | 80% | 0.796 | S | S | * | * | trans | 156.7 | 87.7 | 160 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 183 | K | 22.2 | Very low | 25.8 | Very low | 192 Ų | 192 | 136.1 Ų | 136.1 | 84% | 0.835 | 79% | 0.791 | S | S | * | * | 64.3 | 122.6 | 99.3 | -115.7 | -168.6 | 169.9 | 174.7 | 0 | 115.3 | |||||
| 184 | L | 22.7 | Very low | 25.8 | Very low | 139 Ų | 139 | 137.6 Ų | 137.6 | 73% | 0.728 | 79% | 0.794 | S | S | * | * | trans | 91.2 | 103.2 | 143.7 | -63 | 159.7 | 0 | 0 | 0 | 119.9 | ||||
| 185 | S | 22.8 | Very low | 25.8 | Very low | 111 Ų | 111 | 135.4 Ų | 135.4 | 78% | 0.776 | 79% | 0.789 | S | S | * | * | 75.5 | 158.1 | 117 | -79.9 | 0 | 0 | 0 | 0 | 120.8 | |||||
| 186 | P | 45 | Very low | 26.2 | Very low | 123 Ų | 123 | 137 Ų | 137 | 80% | 0.799 | 79% | 0.787 | S | S | * | * | trans | -103.4 | 158.9 | -130.1 | 39.1 | -36 | 0 | 0 | 0 | 114.3 | ||||
| 187 | G | 26.1 | Very low | 26.2 | Very low | 79 Ų | 79 | 139.9 Ų | 139.9 | 81% | 0.814 | 78% | 0.782 | S | S | * | * | trans | -129.5 | 111.3 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 188 | E | 22.5 | Very low | 26.7 | Very low | 162 Ų | 162 | 142 Ų | 142 | 76% | 0.757 | 78% | 0.784 | S | S | * | * | trans | -64.9 | 166.7 | 174.8 | -55.7 | 168 | 144.9 | 0 | 0 | 113.1 | ||||
| 189 | N | 24.5 | Very low | 26.6 | Very low | 131 Ų | 131 | 142.1 Ų | 142.1 | 70% | 0.701 | 79% | 0.785 | S | S | * | * | trans | 112.9 | 134.1 | 132.8 | -72.6 | -39.3 | 0 | 0 | 0 | 120.2 | ||||
| 190 | K | 26.5 | Very low | 27 | Very low | 183 Ų | 183 | 140.8 Ų | 140.8 | 80% | 0.796 | 79% | 0.787 | S | S | * | * | trans | 93 | 106.3 | 156.1 | -70.4 | 166.3 | -179.6 | -176 | 0 | 116.2 | ||||
| 191 | L | 23.6 | Very low | 27 | Very low | 142 Ų | 142 | 141.1 Ų | 141.1 | 74% | 0.743 | 79% | 0.789 | S | S | * | * | 65.1 | 111 | 73.6 | -79.6 | 148.2 | 0 | 0 | 0 | 111.2 | |||||
| 192 | D | 30.3 | Very low | 27.2 | Very low | 152 Ų | 152 | 138.7 Ų | 138.7 | 81% | 0.813 | 78% | 0.782 | S | S | * | * | trans | -172.8 | 100.8 | 132.2 | -85.1 | -25.5 | 0 | 0 | 0 | 107.2 | ||||
| 193 | N | 25 | Very low | 27.3 | Very low | 132 Ų | 132 | 144.5 Ų | 144.5 | 71% | 0.706 | 79% | 0.79 | S | S | * | * | 45.2 | 105.6 | 97 | -96.9 | -6 | 0 | 0 | 0 | 114.1 | |||||
| 194 | N | 31.6 | Very low | 27.4 | Very low | 161 Ų | 161 | 144.4 Ų | 144.4 | 86% | 0.861 | 79% | 0.793 | S | S | * | * | -166.4 | 133.8 | 119 | -99.1 | -25 | 0 | 0 | 0 | 113.4 | |||||
| 195 | N | 25.8 | Very low | 27.6 | Very low | 135 Ų | 135 | 147.3 Ų | 147.3 | 72% | 0.722 | 80% | 0.8 | S | S | * | * | trans | -59 | 146.6 | 173.4 | -61.2 | -45.2 | 0 | 0 | 0 | 112 | ||||
| 196 | N | 31.9 | Very low | 27.9 | Very low | 159 Ų | 159 | 149.3 Ų | 149.3 | 85% | 0.85 | 80% | 0.8 | S | S | * | * | -163.2 | 112.5 | 127.6 | -98.1 | -16.5 | 0 | 0 | 0 | 110.9 | |||||
| 197 | I | 26.1 | Very low | 26.9 | Very low | 141 Ų | 141 | 149.2 Ų | 149.2 | 72% | 0.723 | 80% | 0.801 | S | S | * | * | trans | -64.7 | 131.9 | 161.5 | -67.5 | 160.8 | 0 | 0 | 0 | 107.3 | ||||
| 198 | N | 31.9 | Very low | 27.1 | Very low | 157 Ų | 157 | 153.9 Ų | 153.9 | 84% | 0.84 | 80% | 0.801 | S | S | * | * | trans | -156.8 | 99.4 | 150.7 | -86.1 | -30 | 0 | 0 | 0 | 107.2 | ||||
| 199 | D | 25.8 | Very low | 27.5 | Very low | 154 Ų | 154 | 155.3 Ų | 155.3 | 82% | 0.824 | 81% | 0.805 | S | S | * | * | trans | -63 | 125.1 | 158.4 | -64.1 | -55.9 | 0 | 0 | 0 | 108.6 | ||||
| 200 | D | 29.2 | Very low | 27.8 | Very low | 157 Ų | 157 | 154.7 Ų | 154.7 | 84% | 0.84 | 81% | 0.811 | S | S | * | * | trans | -161.4 | 135.5 | 141.4 | -156 | 11 | 0 | 0 | 0 | 110.2 | ||||
| 201 | D | 26.4 | Very low | 28.2 | Very low | 165 Ų | 165 | 150.4 Ų | 150.4 | 88% | 0.882 | 80% | 0.8 | S | S | * | * | trans | -71.1 | 126.9 | -171.3 | -74.5 | -56.6 | 0 | 0 | 0 | 112 | ||||
| 202 | G | 26.5 | Very low | 29.1 | Very low | 66 Ų | 66 | 147.8 Ų | 147.8 | 68% | 0.68 | 79% | 0.792 | S | S | * | * | trans | -171.6 | 90.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q204 | G202-Q204 PolarHBondContact O-N 3.31Š| ||
| 203 | E | 26.3 | Very low | 29.9 | Very low | 194 Ų | 194 | 143.7 Ų | 143.7 | 91% | 0.907 | 77% | 0.772 | S | S | * | * | trans | 27.4 | 88.9 | 156.2 | -66.1 | -177 | 159.1 | 0 | 0 | 116 | K205 | E203-K205 VanDerWaalsContact C-N 3.3Å; E203-K205 PolarHBondContact O-N 2.88Å | ||
| 204 | Q | 25.3 | Very low | 31.1 | Very low | 190 Ų | 190 | 146.1 Ų | 146.1 | 89% | 0.888 | 77% | 0.773 | S | S | * | * | trans | -62.4 | 89 | 172.3 | -75.4 | 179.3 | -2.5 | 0 | 0 | 111.1 | G202 I206 | G202-Q204 PolarHBondContact O-N 3.31Å; Q204-I206 PolarHBondContact O-N 3.11Å; Q204-I206 VanDerWaalsContact O-N 3.1Å | ||
| 205 | K | 26.9 | Very low | 32.6 | Very low | 200 Ų | 200 | 140.2 Ų | 140.2 | 87% | 0.87 | 74% | 0.744 | S | S | * | * | trans | -55.1 | 108.8 | 146.8 | -90.1 | 177.2 | 176.1 | 173.1 | 0 | 107 | E203 C207 | E203-K205 VanDerWaalsContact C-N 3.3Å; E203-K205 PolarHBondContact O-N 2.88Å; K205-C207 PolarHBondContact O-N 3.46Å | ||
| 206 | I | 28.2 | Very low | 34.8 | Very low | 152 Ų | 152 | 136.1 Ų | 136.1 | 78% | 0.779 | 72% | 0.72 | S | S | * | * | trans | -55.7 | 100.5 | 174.5 | -64.4 | 169.2 | 0 | 0 | 0 | 107.7 | Q204 Q208 | Q204-I206 PolarHBondContact O-N 3.11Å; Q204-I206 VanDerWaalsContact O-N 3.1Å; I206-Q208 PolarHBondContact O-N 2.9Å | ||
| 207 | C | 23.9 | Very low | 37.1 | Very low | 121 Ų | 121 | 128.6 Ų | 128.6 | 82% | 0.818 | 68% | 0.68 | S | S | * | * | trans | -71.1 | 98.3 | 173 | -157.9 | 0 | 0 | 0 | 0 | 106.5 | K205 K209 | K205-C207 PolarHBondContact O-N 3.46Å; C207-K209 PolarHBondContact O-N 3.39Å | ||
| 208 | Q | 30.3 | Very low | 40.1 | Very low | 177 Ų | 177 | 123 Ų | 123 | 83% | 0.827 | 65% | 0.653 | S | S | * | * | trans | -57.6 | 103.4 | 174.4 | -73.5 | 175.5 | -14.6 | 0 | 0 | 108.4 | I206 S210 | I206-Q208 PolarHBondContact O-N 2.9Å; Q208-S210 PolarHBondContact O-N 3.12Å; Q208-S210 VanDerWaalsContact O-N 3.14Å | ||
| 209 | K | 31.4 | Very low | 42.8 | Very low | 193 Ų | 193 | 115.6 Ų | 115.6 | 84% | 0.839 | 61% | 0.613 | S | S | * | * | trans | -56.2 | 117.8 | 163.5 | -83.5 | 177.5 | 174.2 | 176.1 | 0 | 107.3 | C207 T211 | C207-K209 PolarHBondContact O-N 3.39Å; K209-T211 VanDerWaalsContact C-N 3.3Å; K209-T211 PolarHBondContact O-N 3.47Å | ||
| 210 | S | 31 | Very low | 45.8 | Very low | 118 Ų | 118 | 109.3 Ų | 109.3 | 83% | 0.825 | 58% | 0.583 | S | S | * | * | trans | -64.3 | 87.6 | 174 | 41.9 | 0 | 0 | 0 | 0 | 109.9 | Q208 | Q208-S210 PolarHBondContact O-N 3.12Å; Q208-S210 VanDerWaalsContact O-N 3.14Å | ||
| 211 | T | 34.6 | Very low | 48.8 | Very low | 93 Ų | 93 | 103.3 Ų | 103.3 | 57% | 0.571 | 55% | 0.551 | S | S | * | * | trans | -63.2 | 125.1 | 168.2 | -35.6 | 0 | 0 | 0 | 0 | 107.3 | K209 V213 | K209-T211 VanDerWaalsContact C-N 3.3Å; K209-T211 PolarHBondContact O-N 3.47Å; T211-V213 PolarHBondContact O-N 3.19Å | ||
| 212 | P | 42.5 | Very low | 51.9 | Low | 86 Ų | 86 | 95.4 Ų | 95.4 | 56% | 0.558 | 51% | 0.509 | S | S | * | . | trans | -62.1 | 125.3 | -172.9 | 22.5 | -31.8 | 0 | 0 | 0 | 110.5 | Y214 S215 | P212-Y214 PolarHBondContact O-N 2.63Å; P212-S215 PolarHBondContact O-N 3.29Å; P212-S215 PolarHBondContact O-OG 3.49Å | ||
| 213 | V | 47.2 | Very low | 55.1 | Low | 67 Ų | 67 | 92.4 Ų | 92.4 | 41% | 0.406 | 48% | 0.477 | S | S | . | . | G | 310 helix | trans | -44.9 | -32.5 | -175 | 179.2 | 0 | 0 | 0 | 0 | 113.4 | T211 S215 Q216 | T211-V213 PolarHBondContact O-N 3.19Å; V213-S215 VanDerWaalsContact C-N 3.29Å; V213-S215 PolarHBondContact O-N 3.41Å; V213-Q216 PolarHBondContact O-N 3.45Å |
| 214 | Y | 51.3 | Low | 58.3 | Low | 182 Ų | 182 | 88 Ų | 88 | 71% | 0.714 | 46% | 0.46 | S | S | * | . | G | 310 helix | trans | -61.3 | -25.9 | -179.4 | -63.4 | -74.8 | 0 | 0 | 0 | 115.5 | P212 | P212-Y214 PolarHBondContact O-N 2.63Š|
| 215 | S | 62.1 | Low | 61.6 | Low | 37 Ų | 37 | 79.4 Ų | 79.4 | 26% | 0.259 | 42% | 0.419 | S | S | . | . | G | 310 helix | trans | -79.9 | -19.5 | 179.2 | 70.1 | 0 | 0 | 0 | 0 | 113.5 | S120 R121 P212 V213 | S120-S215 WeakPolarHBondContact CA-O 3.31Å; S120-S215 WeakPolarHBondContact CB-O 3.3Å; R121-S215 PolarHBondContact N-O 3.41Å; P212-S215 PolarHBondContact O-N 3.29Å; P212-S215 PolarHBondContact O-OG 3.49Å; V213-S215 VanDerWaalsContact C-N 3.29Å; V213-S215 PolarHBondContact O-N 3.41Å |
| 216 | Q | 71.6 | Confident | 64.9 | Low | 49 Ų | 49 | 70 Ų | 70 | 23% | 0.229 | 38% | 0.378 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | -16.9 | 179.7 | -66.5 | -64.2 | -23.4 | 0 | 0 | 112.8 | R121 P158 V213 | R121-Q216 WeakPolarHBondContact CD-O 3.37Å; P158-Q216 WeakPolarHBondContact CB-O 3.41Å; V213-Q216 PolarHBondContact O-N 3.45Å |
| 217 | G | 81.1 | Confident | 68.2 | Low | 1 Ų | 1 | 63.7 Ų | 63.7 | 1% | 0.01 | 35% | 0.346 | C | S | . | . | trans | 80.1 | 162.6 | -175.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | P158 D221 | P158-G217 VanDerWaalsContact CB-C 3.4Å; P158-G217 VanDerWaalsContact CB-O 3.27Å; P158-G217 WeakPolarHBondContact CB-O 3.35Å; G217-D221 VanDerWaalsContact CA-OD2 3.24Å; G217-D221 WeakPolarHBondContact CA-OD2 3.5Å | ||
| 218 | T | 88.7 | Confident | 71.6 | Confident | 25 Ų | 25 | 61.8 Ų | 61.8 | 15% | 0.153 | 32% | 0.324 | C | S | . | . | trans | -113.3 | 173.5 | 177.7 | 72.5 | 0 | 0 | 0 | 0 | 111.8 | I160 D162 A220 D221 S222 | I160-T218 WeakPolarHBondContact O-CA 3.4Å; I160-T218 WeakPolarHBondContact O-CB 3.39Å; D162-T218 VanDerWaalsContact OD1-CB 3.25Å; D162-T218 WeakPolarHBondContact OD1-CB 3.5Å; D162-T218 PolarHBondContact OD1-OG1 2.83Å; T218-A220 PolarHBondContact O-N 2.77Å; T218-A220 PolarHBondContact OG1-N 2.84Å; T218-D221 PolarHBondContact N-OD2 3.3Å; T218-D221 WeakPolarHBondContact O-CB 3.42Å; T218-D221 PolarHBondContact O-N 3.42Å; T218-S222 PolarHBondContact O-N 2.89Å | ||
| 219 | I | 88.8 | Confident | 74.7 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -53.3 | -33.1 | 172.1 | -173.1 | 57.2 | 0 | 0 | 0 | 112.5 | P158 D159 I160 D221 S222 I223 L273 I276 | P158-I219 WeakPolarHBondContact O-CA 3.49Å; D159-I219 WeakPolarHBondContact OD1-CD1 3.27Å; I160-I219 PolarHBondContact O-N 3.35Å; I219-D221 VanDerWaalsContact C-N 3.33Å; I219-D221 PolarHBondContact O-N 3.47Å; I219-S222 WeakPolarHBondContact O-CB 3.49Å; I219-S222 PolarHBondContact O-N 3.36Å; I219-I223 HydrophobicContact CG1-CD1 4.12Å; I219-I223 HydrophobicContact CG1-CG1 4.45Å; I219-I223 WeakPolarHBondContact O-CG1 3.36Å; I219-I223 PolarHBondContact O-N 2.82Å; I219-L273 HydrophobicContact CD1-CB 3.94Å; I219-L273 HydrophobicContact CD1-CD1 3.79Å; I219-L273 HydrophobicContact CD1-CD2 4.49Å; I219-L273 HydrophobicContact CD1-CG 4.29Å; I219-I276 HydrophobicContact CD1-CG1 4.2Å; I219-I276 HydrophobicContact CG1-CG1 4.38Å |
| 220 | A | 89.6 | Confident | 77.9 | Confident | 23 Ų | 23 | 44.2 Ų | 44.2 | 19% | 0.19 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -64.3 | -37.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | T218 S222 I223 N224 | T218-A220 PolarHBondContact O-N 2.77Å; T218-A220 PolarHBondContact OG1-N 2.84Å; A220-S222 VanDerWaalsContact C-N 3.34Å; A220-I223 PolarHBondContact O-N 3.16Å; A220-N224 WeakPolarHBondContact O-CB 3.45Å; A220-N224 VanDerWaalsContact O-CG 3.24Å; A220-N224 PolarHBondContact O-N 2.89Å; A220-N224 PolarHBondContact O-ND2 3.3Å |
| 221 | D | 90.9 | Very high | 81 | Confident | 30 Ų | 30 | 39.2 Ų | 39.2 | 16% | 0.16 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -65.6 | -39.5 | 175.1 | -64.3 | -57.9 | 0 | 0 | 0 | 110.8 | R122 G217 T218 I219 N224 F225 | R122-D221 WeakPolarHBondContact CD-OD2 3.09Å; R122-D221 HydrophobicContact CG-CB 4.42Å; R122-D221 IonicContact CZ-OD1 3.62Å; R122-D221 IonicContact NE-OD1 3.11Å; R122-D221 PolarHBondContact NE-OD1 3.21Å; R122-D221 IonicContact NE-OD2 3.03Å; R122-D221 PolarHBondContact NE-OD2 2.89Å; R122-D221 IonicContact NH2-OD1 2.81Å; R122-D221 PolarHBondContact NH2-OD1 2.84Å; G217-D221 VanDerWaalsContact CA-OD2 3.24Å; G217-D221 WeakPolarHBondContact CA-OD2 3.5Å; T218-D221 PolarHBondContact N-OD2 3.3Å; T218-D221 WeakPolarHBondContact O-CB 3.42Å; T218-D221 PolarHBondContact O-N 3.42Å; I219-D221 VanDerWaalsContact C-N 3.33Å; I219-D221 PolarHBondContact O-N 3.47Å; D221-N224 PolarHBondContact O-N 2.98Å; D221-F225 VanDerWaalsContact O-CB 3.27Å; D221-F225 WeakPolarHBondContact O-CB 3.46Å; D221-F225 PolarHBondContact O-N 2.94Å |
| 222 | S | 92.6 | Very high | 83.9 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -64.5 | -45.1 | 175.5 | -63.6 | 0 | 0 | 0 | 0 | 112.7 | P158 T218 I219 A220 F225 L226 | P158-S222 WeakPolarHBondContact CD-OG 3.4Å; P158-S222 WeakPolarHBondContact CG-OG 3.3Å; P158-S222 WeakPolarHBondContact O-CB 3.46Å; P158-S222 PolarHBondContact O-OG 3.1Å; T218-S222 PolarHBondContact O-N 2.89Å; I219-S222 WeakPolarHBondContact O-CB 3.49Å; I219-S222 PolarHBondContact O-N 3.36Å; A220-S222 VanDerWaalsContact C-N 3.34Å; S222-F225 PolarHBondContact O-N 3.17Å; S222-L226 WeakPolarHBondContact O-CB 3.4Å; S222-L226 WeakPolarHBondContact O-CG 3.15Å; S222-L226 PolarHBondContact O-N 3.41Å |
| 223 | I | 93.3 | Very high | 86.4 | Confident | 3 Ų | 3 | 31.7 Ų | 31.7 | 2% | 0.015 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -59.7 | -49.7 | 175.9 | -68.5 | 168 | 0 | 0 | 0 | 109.7 | I219 A220 F225 L226 L227 L270 I276 V285 | I219-I223 HydrophobicContact CG1-CD1 4.12Å; I219-I223 HydrophobicContact CG1-CG1 4.45Å; I219-I223 WeakPolarHBondContact O-CG1 3.36Å; I219-I223 PolarHBondContact O-N 2.82Å; A220-I223 PolarHBondContact O-N 3.16Å; I223-F225 PolarHBondContact O-N 2.95Å; I223-L226 PolarHBondContact O-N 3.43Å; I223-L227 HydrophobicContact CG2-CD1 3.6Å; I223-L227 HydrophobicContact CG2-CG 4.15Å; I223-L227 WeakPolarHBondContact O-CB 3.49Å; I223-L227 VanDerWaalsContact O-CG 3.29Å; I223-L227 WeakPolarHBondContact O-CG 3.34Å; I223-L227 PolarHBondContact O-N 3.48Å; I223-L270 HydrophobicContact CB-CD1 4.48Å; I223-L270 HydrophobicContact CG1-CD1 4.15Å; I223-I276 HydrophobicContact CD1-CD1 4.43Å; I223-I276 HydrophobicContact CD1-CG1 4.39Å; I223-I276 HydrophobicContact CG1-CD1 4.25Å; I223-V285 HydrophobicContact CD1-CG2 4.13Å; I223-V285 HydrophobicContact CG1-CG2 4.4Å; I223-V285 HydrophobicContact CG2-CG2 4.23Å |
| 224 | N | 93.7 | Very high | 88.8 | Confident | 101 Ų | 101 | 28.6 Ų | 28.6 | 54% | 0.54 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -60.7 | -43.6 | 179.1 | -74.6 | -38.1 | 0 | 0 | 0 | 112.1 | A220 D221 F228 | A220-N224 WeakPolarHBondContact O-CB 3.45Å; A220-N224 VanDerWaalsContact O-CG 3.24Å; A220-N224 PolarHBondContact O-N 2.89Å; A220-N224 PolarHBondContact O-ND2 3.3Å; D221-N224 PolarHBondContact O-N 2.98Å; N224-F228 WeakPolarHBondContact O-CB 3.45Å; N224-F228 PolarHBondContact O-N 3.06Å |
| 225 | F | 95 | Very high | 90.9 | Very high | 9 Ų | 9 | 24.3 Ų | 24.3 | 4% | 0.039 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -58.4 | -50 | 176.1 | 165.8 | -94.6 | 0 | 0 | 0 | 111.7 | L125 V129 L148 L152 L157 D221 S222 I223 N229 | L125-F225 HydrophobicContact CB-CD2 4.17Å; L125-F225 HydrophobicContact CD2-CD2 4.24Å; L125-F225 HydrophobicContact CD2-CE2 4.14Å; L125-F225 HydrophobicContact CD2-CZ 4.38Å; V129-F225 HydrophobicContact CB-CD2 3.67Å; V129-F225 HydrophobicContact CB-CE2 3.7Å; V129-F225 HydrophobicContact CG1-CD2 4.02Å; V129-F225 HydrophobicContact CG2-CD2 3.96Å; V129-F225 HydrophobicContact CG2-CE2 3.91Å; L148-F225 HydrophobicContact CD1-CE2 4.39Å; L148-F225 HydrophobicContact CD1-CZ 4.36Å; L148-F225 HydrophobicContact CD2-CE2 3.93Å; L148-F225 HydrophobicContact CD2-CZ 4Å; L148-F225 HydrophobicContact CG-CE2 4.23Å; L148-F225 HydrophobicContact CG-CZ 3.94Å; L152-F225 HydrophobicContact CD1-CE1 4.15Å; L152-F225 HydrophobicContact CD1-CE2 3.87Å; L152-F225 HydrophobicContact CD1-CZ 3.38Å; L157-F225 HydrophobicContact CD2-CD1 3.92Å; L157-F225 HydrophobicContact CD2-CE1 4.03Å; D221-F225 VanDerWaalsContact O-CB 3.27Å; D221-F225 WeakPolarHBondContact O-CB 3.46Å; D221-F225 PolarHBondContact O-N 2.94Å; S222-F225 PolarHBondContact O-N 3.17Å; I223-F225 PolarHBondContact O-N 2.95Å; F225-N229 WeakPolarHBondContact O-CB 3.42Å; F225-N229 PolarHBondContact O-N 3.32Å |
| 226 | L | 95.9 | Very high | 92.4 | Very high | 2 Ų | 2 | 22.5 Ų | 22.5 | 1% | 0.01 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -68.4 | -43.1 | -178 | -70.9 | 175.1 | 0 | 0 | 0 | 112.1 | L149 L157 S222 I223 N229 F230 R269 L270 L273 | L149-L226 HydrophobicContact CD1-CD2 3.48Å; L149-L226 VanDerWaalsContact CD1-CD2 3.48Å; L157-L226 HydrophobicContact CD1-CD1 4.06Å; L157-L226 HydrophobicContact CD1-CD2 4.27Å; L157-L226 HydrophobicContact CD1-CG 4.34Å; S222-L226 WeakPolarHBondContact O-CB 3.4Å; S222-L226 WeakPolarHBondContact O-CG 3.15Å; S222-L226 PolarHBondContact O-N 3.41Å; I223-L226 PolarHBondContact O-N 3.43Å; L226-N229 PolarHBondContact O-N 3.48Å; L226-F230 WeakPolarHBondContact O-CB 3.19Å; L226-F230 PolarHBondContact O-N 3.46Å; L226-R269 HydrophobicContact CD1-CB 4.45Å; L226-R269 HydrophobicContact CD1-CG 4.05Å; L226-R269 HydrophobicContact CD2-CB 4.11Å; L226-R269 HydrophobicContact CD2-CG 3.77Å; L226-L270 HydrophobicContact CB-CD1 4.01Å; L226-L270 HydrophobicContact CD1-CB 4.04Å; L226-L270 HydrophobicContact CD1-CD1 3.58Å; L226-L270 HydrophobicContact CD1-CG 4.42Å; L226-L270 HydrophobicContact CG-CD1 4.44Å; L226-L273 HydrophobicContact CD1-CD1 3.79Å |
| 227 | L | 96 | Very high | 93.6 | Very high | 21 Ų | 21 | 20.2 Ų | 20.2 | 11% | 0.11 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -65.6 | -40.8 | 177.2 | -71 | 178.3 | 0 | 0 | 0 | 111.7 | I223 F230 S231 L270 P288 I289 | I223-L227 HydrophobicContact CG2-CD1 3.6Å; I223-L227 HydrophobicContact CG2-CG 4.15Å; I223-L227 WeakPolarHBondContact O-CB 3.49Å; I223-L227 VanDerWaalsContact O-CG 3.29Å; I223-L227 WeakPolarHBondContact O-CG 3.34Å; I223-L227 PolarHBondContact O-N 3.48Å; L227-F230 PolarHBondContact O-N 3.47Å; L227-S231 WeakPolarHBondContact O-CB 3.31Å; L227-S231 PolarHBondContact O-N 2.89Å; L227-L270 HydrophobicContact CD2-CD2 4.03Å; L227-P288 HydrophobicContact CD1-CB 3.95Å; L227-P288 HydrophobicContact CD1-CG 4.13Å; L227-P288 HydrophobicContact CD2-CB 4.47Å; L227-I289 HydrophobicContact CD2-CD1 4.21Å; L227-I289 HydrophobicContact CD2-CG1 3.61Å |
| 228 | F | 95.9 | Very high | 94.2 | Very high | 80 Ų | 80 | 21.1 Ų | 21.1 | 35% | 0.351 | 11% | 0.109 | S | C | . | . | H | α-helix | trans | -64.4 | -47.1 | 176.2 | -174.9 | -104.2 | 0 | 0 | 0 | 110.8 | V129 N224 F230 S231 E232 | V129-F228 HydrophobicContact CB-CD1 4.26Å; V129-F228 HydrophobicContact CG1-CD1 3.76Å; V129-F228 HydrophobicContact CG1-CE1 4.22Å; V129-F228 HydrophobicContact CG2-CD1 3.63Å; V129-F228 HydrophobicContact CG2-CE1 4.26Å; N224-F228 WeakPolarHBondContact O-CB 3.45Å; N224-F228 PolarHBondContact O-N 3.06Å; F228-F230 PolarHBondContact O-N 3.39Å; F228-S231 PolarHBondContact O-N 3.42Å; F228-S231 PolarHBondContact O-OG 2.93Å; F228-E232 HydrophobicContact CE1-CG 4.29Å; F228-E232 HydrophobicContact CE2-CG 4.46Å; F228-E232 HydrophobicContact CZ-CG 4.2Å; F228-E232 WeakPolarHBondContact O-CG 3.18Å; F228-E232 PolarHBondContact O-N 3.46Å; F228-E232 VanDerWaalsContact O-N 3.11Å |
| 229 | N | 96.2 | Very high | 94.4 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -62.5 | -42.7 | 176.9 | -165.4 | 50 | 0 | 0 | 0 | 112.2 | V129 R145 F225 L226 E232 M233 N266 | V129-N229 HydrophobicContact CG2-CB 3.9Å; R145-N229 WeakPolarHBondContact CB-OD1 3.49Å; R145-N229 WeakPolarHBondContact CG-OD1 3.32Å; R145-N229 PolarHBondContact NH1-OD1 2.98Å; R145-N229 PolarHBondContact O-ND2 3.04Å; F225-N229 WeakPolarHBondContact O-CB 3.42Å; F225-N229 PolarHBondContact O-N 3.32Å; L226-N229 PolarHBondContact O-N 3.48Å; N229-E232 PolarHBondContact O-N 3.2Å; N229-M233 PolarHBondContact ND2-SD 3.28Å; N229-M233 WeakPolarHBondContact O-CB 3.45Å; N229-M233 VanDerWaalsContact O-CG 3.24Å; N229-M233 WeakPolarHBondContact O-CG 3.39Å; N229-M233 PolarHBondContact O-N 2.96Å; N229-N266 PolarHBondContact ND2-OD1 3.05Å |
| 230 | F | 97.2 | Very high | 94.4 | Very high | 1 Ų | 1 | 24.9 Ų | 24.9 | 0% | 0.004 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -56.3 | -50.9 | 173.5 | 168.3 | -111.4 | 0 | 0 | 0 | 111.9 | L226 L227 F228 E232 M233 N234 V263 N266 L267 I289 Q292 L305 | L226-F230 WeakPolarHBondContact O-CB 3.19Å; L226-F230 PolarHBondContact O-N 3.46Å; L227-F230 PolarHBondContact O-N 3.47Å; F228-F230 PolarHBondContact O-N 3.39Å; F230-E232 VanDerWaalsContact C-N 3.31Å; F230-E232 PolarHBondContact O-N 3.22Å; F230-M233 PolarHBondContact O-N 2.99Å; F230-N234 WeakPolarHBondContact O-CB 3.32Å; F230-N234 PolarHBondContact O-N 2.8Å; F230-V263 HydrophobicContact CD2-CG1 4.07Å; F230-V263 HydrophobicContact CE2-CG1 3.95Å; F230-N266 HydrophobicContact CB-CB 3.8Å; F230-N266 HydrophobicContact CD2-CB 4.28Å; F230-N266 HydrophobicContact CG-CB 4.47Å; F230-L267 HydrophobicContact CD1-CD2 4.41Å; F230-L267 HydrophobicContact CD2-CD2 4.01Å; F230-L267 HydrophobicContact CD2-CG 4.25Å; F230-L267 HydrophobicContact CE1-CD2 4.41Å; F230-L267 HydrophobicContact CE2-CD1 4.15Å; F230-L267 HydrophobicContact CE2-CD2 4.01Å; F230-L267 HydrophobicContact CE2-CG 4.07Å; F230-L267 HydrophobicContact CG-CD2 4.21Å; F230-L267 HydrophobicContact CZ-CD1 4.39Å; F230-L267 HydrophobicContact CZ-CD2 4.2Å; F230-I289 HydrophobicContact CE1-CG1 4.48Å; F230-I289 HydrophobicContact CE1-CG2 4.2Å; F230-I289 HydrophobicContact CZ-CG2 4.31Å; F230-Q292 HydrophobicContact CE1-CB 3.94Å; F230-Q292 HydrophobicContact CE1-CG 4.47Å; F230-L305 HydrophobicContact CE2-CD1 4.14Å; F230-L305 HydrophobicContact CE2-CD2 3.74Å; F230-L305 HydrophobicContact CZ-CD1 3.97Å; F230-L305 HydrophobicContact CZ-CD2 4.22Å |
| 231 | S | 96 | Very high | 94.3 | Very high | 13 Ų | 13 | 26.3 Ų | 26.3 | 9% | 0.091 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -58.9 | -43.3 | -178.6 | 75.7 | 0 | 0 | 0 | 0 | 111.7 | L227 F228 N234 K235 | L227-S231 WeakPolarHBondContact O-CB 3.31Å; L227-S231 PolarHBondContact O-N 2.89Å; F228-S231 PolarHBondContact O-N 3.42Å; F228-S231 PolarHBondContact O-OG 2.93Å; S231-N234 PolarHBondContact O-N 3.39Å; S231-K235 VanDerWaalsContact O-CG 3.29Å; S231-K235 WeakPolarHBondContact O-CG 3.48Å; S231-K235 PolarHBondContact O-N 3.33Å |
| 232 | E | 95.5 | Very high | 94.1 | Very high | 21 Ų | 21 | 31.5 Ų | 31.5 | 10% | 0.098 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -73.1 | -39.1 | -179.7 | -70.1 | -65.6 | 119.7 | 0 | 0 | 112.2 | R145 F228 N229 F230 N234 K235 L236 | R145-E232 VanDerWaalsContact NH2-CB 3.29Å; R145-E232 IonicContact NH2-OE2 3.84Å; F228-E232 HydrophobicContact CE1-CG 4.29Å; F228-E232 HydrophobicContact CE2-CG 4.46Å; F228-E232 HydrophobicContact CZ-CG 4.2Å; F228-E232 WeakPolarHBondContact O-CG 3.18Å; F228-E232 PolarHBondContact O-N 3.46Å; F228-E232 VanDerWaalsContact O-N 3.11Å; N229-E232 PolarHBondContact O-N 3.2Å; F230-E232 VanDerWaalsContact C-N 3.31Å; F230-E232 PolarHBondContact O-N 3.22Å; E232-N234 VanDerWaalsContact C-N 3.33Å; E232-K235 PolarHBondContact O-N 3.33Å; E232-K235 WeakPolarHBondContact OE1-CD 3.45Å; E232-K235 IonicContact OE1-NZ 3.96Å; E232-K235 PolarHBondContact OE1-NZ 2.99Å; E232-L236 VanDerWaalsContact O-CG 3.29Å; E232-L236 WeakPolarHBondContact O-CG 3.41Å; E232-L236 PolarHBondContact O-N 3.25Å |
| 233 | M | 96.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -62.4 | -41.1 | 172.5 | -73.3 | -174.8 | 76.1 | 0 | 0 | 111.4 | L142 R145 N229 F230 L236 W237 L262 V263 N266 | L142-M233 HydrophobicContact CD1-CB 3.91Å; L142-M233 HydrophobicContact CD1-CE 3.54Å; L142-M233 HydrophobicContact CD1-CG 4.19Å; L142-M233 HydrophobicContact CG-CE 4.16Å; L142-M233 WeakPolarHBondContact O-CE 3.46Å; R145-M233 HydrophobicContact CB-CE 4.3Å; R145-M233 HydrophobicContact CB-CG 3.51Å; R145-M233 HydrophobicContact CB-SD 3.64Å; R145-M233 HydrophobicContact CG-CG 4.22Å; N229-M233 PolarHBondContact ND2-SD 3.28Å; N229-M233 WeakPolarHBondContact O-CB 3.45Å; N229-M233 VanDerWaalsContact O-CG 3.24Å; N229-M233 WeakPolarHBondContact O-CG 3.39Å; N229-M233 PolarHBondContact O-N 2.96Å; F230-M233 PolarHBondContact O-N 2.99Å; M233-L236 PolarHBondContact O-N 3.21Å; M233-W237 VanDerWaalsContact O-CB 3.3Å; M233-W237 WeakPolarHBondContact O-CB 3.48Å; M233-W237 PolarHBondContact O-N 3.36Å; M233-L262 HydrophobicContact CE-CB 4.02Å; M233-L262 WeakPolarHBondContact CE-O 3.26Å; M233-V263 HydrophobicContact CB-CG1 4.5Å; M233-V263 HydrophobicContact CB-CG2 4.42Å; M233-N266 PolarHBondContact SD-ND2 3.03Å |
| 234 | N | 96.1 | Very high | 93 | Very high | 2 Ų | 2 | 37.8 Ų | 37.8 | 1% | 0.011 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -63.2 | -46.3 | 175.7 | -169.9 | 33.3 | 0 | 0 | 0 | 111.2 | F230 S231 E232 L236 W237 V238 V263 Q292 | F230-N234 WeakPolarHBondContact O-CB 3.32Å; F230-N234 PolarHBondContact O-N 2.8Å; S231-N234 PolarHBondContact O-N 3.39Å; E232-N234 VanDerWaalsContact C-N 3.33Å; N234-L236 VanDerWaalsContact C-N 3.34Å; N234-L236 PolarHBondContact O-N 3.06Å; N234-W237 PolarHBondContact O-N 3.45Å; N234-V238 WeakPolarHBondContact O-CB 3.37Å; N234-V238 VanDerWaalsContact O-CG2 3.29Å; N234-V238 WeakPolarHBondContact O-CG2 3.41Å; N234-V238 PolarHBondContact O-N 3.22Å; N234-V263 HydrophobicContact CB-CG1 4.25Å; N234-Q292 PolarHBondContact ND2-O 3.17Å |
| 235 | K | 95.5 | Very high | 92.5 | Very high | 92 Ų | 92 | 38.6 Ų | 38.6 | 40% | 0.4 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -57.1 | -44.9 | 175 | -72.8 | 170.7 | -164.2 | 168.5 | 0 | 112.2 | S231 E232 R239 | S231-K235 VanDerWaalsContact O-CG 3.29Å; S231-K235 WeakPolarHBondContact O-CG 3.48Å; S231-K235 PolarHBondContact O-N 3.33Å; E232-K235 PolarHBondContact O-N 3.33Å; E232-K235 WeakPolarHBondContact OE1-CD 3.45Å; E232-K235 IonicContact OE1-NZ 3.96Å; E232-K235 PolarHBondContact OE1-NZ 2.99Å; K235-R239 VanDerWaalsContact O-CB 3.29Å; K235-R239 WeakPolarHBondContact O-CB 3.48Å; K235-R239 PolarHBondContact O-N 3.07Å |
| 236 | L | 94.9 | Very high | 91.9 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -64.3 | -44.7 | 177.4 | -70.8 | 171 | 0 | 0 | 0 | 111.3 | Q136 P138 E232 M233 N234 R239 M240 | Q136-L236 WeakPolarHBondContact O-CD2 3.35Å; P138-L236 WeakPolarHBondContact CB-O 3.25Å; E232-L236 VanDerWaalsContact O-CG 3.29Å; E232-L236 WeakPolarHBondContact O-CG 3.41Å; E232-L236 PolarHBondContact O-N 3.25Å; M233-L236 PolarHBondContact O-N 3.21Å; N234-L236 VanDerWaalsContact C-N 3.34Å; N234-L236 PolarHBondContact O-N 3.06Å; L236-R239 WeakPolarHBondContact O-CB 3.49Å; L236-R239 PolarHBondContact O-N 3.14Å; L236-M240 PolarHBondContact O-N 2.74Å |
| 237 | W | 95.5 | Very high | 91.3 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -63.9 | -41.1 | 179.1 | -177.9 | 44.7 | 0 | 0 | 0 | 112.7 | M233 N234 M240 R256 R260 V263 I300 A301 Y304 L305 | M233-W237 VanDerWaalsContact O-CB 3.3Å; M233-W237 WeakPolarHBondContact O-CB 3.48Å; M233-W237 PolarHBondContact O-N 3.36Å; N234-W237 PolarHBondContact O-N 3.45Å; W237-M240 WeakPolarHBondContact O-CB 3.36Å; W237-M240 PolarHBondContact O-N 2.75Å; W237-R256 PolarHBondContact NE1-O 3.48Å; W237-R256 PolarHBondContact O-NE 2.67Å; W237-R260 HydrophobicContact CH2-CB 3.85Å; W237-R260 HydrophobicContact CZ2-CB 3.52Å; W237-V263 HydrophobicContact CB-CG2 3.8Å; W237-V263 HydrophobicContact CD2-CG2 3.87Å; W237-V263 HydrophobicContact CE3-CB 4.25Å; W237-V263 HydrophobicContact CE3-CG1 4.32Å; W237-V263 HydrophobicContact CE3-CG2 3.8Å; W237-V263 HydrophobicContact CG-CG2 3.9Å; W237-I300 HydrophobicContact CH2-CG2 4.26Å; W237-I300 HydrophobicContact CZ2-CG2 3.95Å; W237-A301 HydrophobicContact CE3-CB 3.84Å; W237-A301 HydrophobicContact CH2-CB 4.06Å; W237-A301 VanDerWaalsContact CZ3-CA 3.4Å; W237-A301 HydrophobicContact CZ3-CB 3.43Å; W237-A301 VanDerWaalsContact CZ3-CB 3.43Å; W237-Y304 AromaticContact CH2-CD1 3.66Å; W237-Y304 HydrophobicContact CH2-CD1 3.66Å; W237-Y304 HydrophobicContact CH2-CG 4.23Å; W237-Y304 HydrophobicContact CZ3-CD1 4.02Å; W237-L305 HydrophobicContact CZ3-CD1 4.46Å; W237-L305 HydrophobicContact CZ3-CG 4.33Å |
| 238 | V | 94.3 | Very high | 90.8 | Very high | 20 Ų | 20 | 55.6 Ų | 55.6 | 12% | 0.121 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -66.6 | -37.9 | 173.7 | 171.1 | 0 | 0 | 0 | 0 | 110.9 | N234 M240 Q241 C296 D298 A301 | N234-V238 WeakPolarHBondContact O-CB 3.37Å; N234-V238 VanDerWaalsContact O-CG2 3.29Å; N234-V238 WeakPolarHBondContact O-CG2 3.41Å; N234-V238 PolarHBondContact O-N 3.22Å; V238-M240 PolarHBondContact O-N 3.29Å; V238-Q241 VanDerWaalsContact CG1-NE2 3.33Å; V238-Q241 WeakPolarHBondContact O-CB 3.33Å; V238-Q241 WeakPolarHBondContact O-CG 3.34Å; V238-Q241 PolarHBondContact O-N 3Å; V238-Q241 PolarHBondContact O-NE2 2.87Å; V238-Q241 VanDerWaalsContact O-NE2 3.09Å; V238-C296 HydrophobicContact CG2-CB 4.11Å; V238-D298 HydrophobicContact CG1-CB 4.2Å; V238-D298 HydrophobicContact CG2-CB 3.93Å; V238-A301 HydrophobicContact CG2-CB 4.16Å |
| 239 | R | 92.6 | Very high | 90.4 | Very high | 94 Ų | 94 | 58.7 Ų | 58.7 | 36% | 0.355 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -61.7 | -29.7 | 176.7 | -169.5 | -179.3 | -62.5 | 155.1 | 0.6 | 112.8 | Q136 P138 K235 L236 Q241 H242 | Q136-R239 PolarHBondContact O-NH1 2.85Å; P138-R239 HydrophobicContact CG-CB 4.12Å; P138-R239 HydrophobicContact CG-CG 4.02Å; K235-R239 VanDerWaalsContact O-CB 3.29Å; K235-R239 WeakPolarHBondContact O-CB 3.48Å; K235-R239 PolarHBondContact O-N 3.07Å; L236-R239 WeakPolarHBondContact O-CB 3.49Å; L236-R239 PolarHBondContact O-N 3.14Å; R239-Q241 PolarHBondContact O-N 3.34Å; R239-Q241 VanDerWaalsContact O-N 3.13Å; R239-H242 PolarHBondContact O-N 3.33Å |
| 240 | M | 90.3 | Very high | 89.9 | Confident | 10 Ų | 10 | 66.5 Ų | 66.5 | 5% | 0.049 | 32% | 0.32 | C | S | . | . | G | 310 helix | trans | -55.7 | -29.4 | 176.3 | -65.2 | -174.8 | 69.3 | 0 | 0 | 113.1 | P55 P138 L236 W237 V238 H242 Q243 R252 R256 L259 | P55-M240 HydrophobicContact CG-CE 4.24Å; P138-M240 HydrophobicContact CB-CB 4.43Å; P138-M240 HydrophobicContact CB-CG 3.31Å; P138-M240 HydrophobicContact CB-SD 4.33Å; P138-M240 HydrophobicContact CG-CG 4.31Å; L236-M240 PolarHBondContact O-N 2.74Å; W237-M240 WeakPolarHBondContact O-CB 3.36Å; W237-M240 PolarHBondContact O-N 2.75Å; V238-M240 PolarHBondContact O-N 3.29Å; M240-H242 PolarHBondContact O-N 2.95Å; M240-Q243 PolarHBondContact O-N 3.04Å; M240-R252 PolarHBondContact O-NH1 2.88Å; M240-R256 HydrophobicContact CB-CG 3.82Å; M240-R256 HydrophobicContact SD-CG 4.41Å; M240-L259 HydrophobicContact CE-CD1 3.66Å; M240-L259 HydrophobicContact SD-CD1 3.86Å |
| 241 | Q | 87 | Confident | 89.3 | Confident | 53 Ų | 53 | 71.1 Ų | 71.1 | 25% | 0.248 | 34% | 0.34 | C | S | . | . | G | 310 helix | trans | -67.7 | -17.1 | 180 | 90.5 | -175.5 | -77.4 | 0 | 0 | 113.7 | V238 R239 R252 R256 D298 | V238-Q241 VanDerWaalsContact CG1-NE2 3.33Å; V238-Q241 WeakPolarHBondContact O-CB 3.33Å; V238-Q241 WeakPolarHBondContact O-CG 3.34Å; V238-Q241 PolarHBondContact O-N 3Å; V238-Q241 PolarHBondContact O-NE2 2.87Å; V238-Q241 VanDerWaalsContact O-NE2 3.09Å; R239-Q241 PolarHBondContact O-N 3.34Å; R239-Q241 VanDerWaalsContact O-N 3.13Å; Q241-R252 PolarHBondContact O-NH1 2.64Å; Q241-R256 VanDerWaalsContact CB-NH1 3.32Å; Q241-D298 VanDerWaalsContact CD-OD1 3.32Å; Q241-D298 PolarHBondContact NE2-OD1 3.34Å; Q241-D298 PolarHBondContact OE1-OD1 3.14Å |
| 242 | H | 86.5 | Confident | 88.9 | Confident | 139 Ų | 139 | 71.6 Ų | 71.6 | 64% | 0.644 | 34% | 0.339 | S | S | * | . | G | 310 helix | trans | -103 | -1.1 | -179.1 | -56.8 | 103.5 | 0 | 0 | 0 | 112.4 | R239 M240 | R239-H242 PolarHBondContact O-N 3.33Å; M240-H242 PolarHBondContact O-N 2.95Å |
| 243 | Q | 82.8 | Confident | 88.7 | Confident | 69 Ų | 69 | 72.4 Ų | 72.4 | 32% | 0.322 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -86.2 | 122.8 | -178.5 | -65.5 | -161.9 | -57.5 | 0 | 0 | 111.7 | P138 M240 R252 | P138-Q243 VanDerWaalsContact CG-CD 3.48Å; P138-Q243 HydrophobicContact CG-CG 4.31Å; M240-Q243 PolarHBondContact O-N 3.04Å; Q243-R252 WeakPolarHBondContact O-CD 3.32Å; Q243-R252 PolarHBondContact O-NE 3.46Å; Q243-R252 PolarHBondContact O-NH1 3.17Å |
| 244 | G | 79.8 | Confident | 88.3 | Confident | 67 Ų | 67 | 76.7 Ų | 76.7 | 69% | 0.691 | 36% | 0.363 | S | S | * | . | S | Bend | trans | 91.7 | -176.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 245 | H | 83 | Confident | 88 | Confident | 117 Ų | 117 | 77.8 Ų | 77.8 | 54% | 0.542 | 37% | 0.368 | S | S | . | . | trans | -71.9 | 152.5 | -173.5 | -156.9 | -83.6 | 0 | 0 | 0 | 111.5 | R247 D248 R252 | H245-R247 PolarHBondContact ND1-N 3.18Å; H245-R247 PolarHBondContact O-N 3.06Å; H245-D248 PolarHBondContact O-N 3.34Å; H245-R252 PolarHBondContact O-NH2 2.92Å | ||
| 246 | T | 82.9 | Confident | 87.8 | Confident | 112 Ų | 112 | 73.5 Ų | 73.5 | 69% | 0.687 | 35% | 0.35 | S | S | * | . | G | 310 helix | trans | -61 | -31 | 178.1 | 48.8 | 0 | 0 | 0 | 0 | 113.2 | D248 R249 | T246-D248 PolarHBondContact O-N 3.36Å; T246-R249 WeakPolarHBondContact O-CB 3.44Å; T246-R249 PolarHBondContact O-N 3.1Å; T246-R249 VanDerWaalsContact O-N 3.11Å |
| 247 | R | 83.5 | Confident | 87.7 | Confident | 222 Ų | 222 | 78.1 Ų | 78.1 | 84% | 0.838 | 37% | 0.367 | S | S | * | . | G | 310 helix | trans | -59.9 | -29.3 | 176.9 | -72.2 | 179.6 | 67.7 | -172.3 | 1.5 | 113.4 | H245 R249 | H245-R247 PolarHBondContact ND1-N 3.18Å; H245-R247 PolarHBondContact O-N 3.06Å; R247-R249 VanDerWaalsContact C-N 3.34Å |
| 248 | D | 84.3 | Confident | 87.4 | Confident | 55 Ų | 55 | 83 Ų | 83 | 29% | 0.294 | 39% | 0.39 | S | S | . | . | G | 310 helix | trans | -96 | 14.6 | -179.5 | -60.7 | -33.9 | 0 | 0 | 0 | 112.1 | H245 T246 E250 K251 R252 | H245-D248 PolarHBondContact O-N 3.34Å; T246-D248 PolarHBondContact O-N 3.36Å; D248-E250 PolarHBondContact O-N 3.1Å; D248-K251 PolarHBondContact O-N 2.74Å; D248-R252 WeakPolarHBondContact O-CG 3.24Å; D248-R252 PolarHBondContact O-N 2.87Å; D248-R252 PolarHBondContact O-NE 3.38Å |
| 249 | R | 87.1 | Confident | 87.3 | Confident | 145 Ų | 145 | 82.6 Ų | 82.6 | 55% | 0.547 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -59.1 | -48.5 | -175.4 | 178 | -179.9 | 174.6 | 175.5 | 2.4 | 112.4 | T246 R247 K251 R252 E253 | T246-R249 WeakPolarHBondContact O-CB 3.44Å; T246-R249 PolarHBondContact O-N 3.1Å; T246-R249 VanDerWaalsContact O-N 3.11Å; R247-R249 VanDerWaalsContact C-N 3.34Å; R249-K251 PolarHBondContact O-N 3.42Å; R249-R252 PolarHBondContact O-N 3.33Å; R249-E253 HydrophobicContact CG-CG 4.43Å; R249-E253 IonicContact CZ-OE1 2.86Å; R249-E253 IonicContact NE-OE1 3.06Å; R249-E253 PolarHBondContact NE-OE1 3.44Å; R249-E253 IonicContact NH2-OE1 3.4Å; R249-E253 PolarHBondContact NH2-OE1 3.34Å; R249-E253 WeakPolarHBondContact O-CG 3.24Å; R249-E253 PolarHBondContact O-N 3.04Å |
| 250 | E | 86.7 | Confident | 87.3 | Confident | 165 Ų | 165 | 83.3 Ų | 83.3 | 77% | 0.771 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -61.9 | -45 | -178.3 | -67.6 | 179.5 | 176.1 | 0 | 0 | 112 | D248 R252 E253 Q254 | D248-E250 PolarHBondContact O-N 3.1Å; E250-R252 VanDerWaalsContact C-N 3.29Å; E250-R252 PolarHBondContact O-N 3.23Å; E250-E253 PolarHBondContact O-N 3.22Å; E250-Q254 PolarHBondContact O-N 2.95Å |
| 251 | K | 84.8 | Confident | 87.5 | Confident | 98 Ų | 98 | 88.3 Ų | 88.3 | 43% | 0.426 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -58.5 | -42.5 | 175.3 | -173.3 | -177.5 | 176.4 | -170.1 | 0 | 111.2 | D248 R249 Q254 E255 | D248-K251 PolarHBondContact O-N 2.74Å; R249-K251 PolarHBondContact O-N 3.42Å; K251-Q254 WeakPolarHBondContact O-CB 3.35Å; K251-Q254 PolarHBondContact O-N 3.18Å; K251-E255 VanDerWaalsContact CE-OE1 3.3Å; K251-E255 WeakPolarHBondContact CE-OE1 3.44Å; K251-E255 WeakPolarHBondContact O-CG 3.29Å; K251-E255 PolarHBondContact O-N 2.98Å |
| 252 | R | 87.8 | Confident | 87.8 | Confident | 22 Ų | 22 | 86.6 Ų | 86.6 | 8% | 0.083 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -68.7 | -38.2 | 177.2 | -73.3 | -177.7 | -67.1 | 123.2 | -9.2 | 113 | M240 Q241 Q243 H245 D248 R249 E250 Q254 E255 R256 | M240-R252 PolarHBondContact O-NH1 2.88Å; Q241-R252 PolarHBondContact O-NH1 2.64Å; Q243-R252 WeakPolarHBondContact O-CD 3.32Å; Q243-R252 PolarHBondContact O-NE 3.46Å; Q243-R252 PolarHBondContact O-NH1 3.17Å; H245-R252 PolarHBondContact O-NH2 2.92Å; D248-R252 WeakPolarHBondContact O-CG 3.24Å; D248-R252 PolarHBondContact O-N 2.87Å; D248-R252 PolarHBondContact O-NE 3.38Å; R249-R252 PolarHBondContact O-N 3.33Å; E250-R252 VanDerWaalsContact C-N 3.29Å; E250-R252 PolarHBondContact O-N 3.23Å; R252-Q254 VanDerWaalsContact C-N 3.28Å; R252-Q254 PolarHBondContact O-N 3.4Å; R252-E255 PolarHBondContact O-N 3.27Å; R252-R256 WeakPolarHBondContact O-CB 3.29Å; R252-R256 VanDerWaalsContact O-CG 3.26Å; R252-R256 WeakPolarHBondContact O-CG 3.38Å; R252-R256 PolarHBondContact O-N 3.03Å |
| 253 | E | 90.5 | Very high | 88.2 | Confident | 38 Ų | 38 | 80 Ų | 80 | 18% | 0.178 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -62.9 | -38.1 | 173.3 | -73.6 | -176.4 | -166.8 | 0 | 0 | 111.2 | R249 E250 R256 R257 I300 | R249-E253 HydrophobicContact CG-CG 4.43Å; R249-E253 IonicContact CZ-OE1 2.86Å; R249-E253 IonicContact NE-OE1 3.06Å; R249-E253 PolarHBondContact NE-OE1 3.44Å; R249-E253 IonicContact NH2-OE1 3.4Å; R249-E253 PolarHBondContact NH2-OE1 3.34Å; R249-E253 WeakPolarHBondContact O-CG 3.24Å; R249-E253 PolarHBondContact O-N 3.04Å; E250-E253 PolarHBondContact O-N 3.22Å; E253-R256 PolarHBondContact O-N 3Å; E253-R257 WeakPolarHBondContact O-CG 2.98Å; E253-R257 PolarHBondContact O-N 3.42Å; E253-R257 IonicContact OE2-NH2 3.64Å; E253-R257 PolarHBondContact OE2-NH2 2.89Å; E253-I300 HydrophobicContact CB-CD1 3.89Å; E253-I300 HydrophobicContact CG-CD1 3.85Å |
| 254 | Q | 89.2 | Confident | 88.7 | Confident | 91 Ų | 91 | 76.9 Ų | 76.9 | 43% | 0.425 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -64.2 | -49.7 | 173.3 | -177.3 | 57.2 | 27.1 | 0 | 0 | 112.1 | E250 K251 R252 R256 R257 E258 | E250-Q254 PolarHBondContact O-N 2.95Å; K251-Q254 WeakPolarHBondContact O-CB 3.35Å; K251-Q254 PolarHBondContact O-N 3.18Å; R252-Q254 VanDerWaalsContact C-N 3.28Å; R252-Q254 PolarHBondContact O-N 3.4Å; Q254-R256 VanDerWaalsContact C-N 3.26Å; Q254-R256 PolarHBondContact O-N 3.28Å; Q254-R257 WeakPolarHBondContact O-CB 3.36Å; Q254-R257 PolarHBondContact O-N 3.47Å; Q254-E258 PolarHBondContact NE2-OE1 3.5Å; Q254-E258 PolarHBondContact O-N 3.35Å |
| 255 | E | 88.4 | Confident | 89.5 | Confident | 24 Ų | 24 | 75.2 Ų | 75.2 | 11% | 0.112 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -58 | -39 | 175 | -71.5 | 171.3 | -179.3 | 0 | 0 | 111.5 | P55 K251 R252 E258 L259 | P55-E255 WeakPolarHBondContact CD-OE2 3.43Å; P55-E255 HydrophobicContact CG-CB 4.18Å; P55-E255 HydrophobicContact CG-CG 4.33Å; K251-E255 VanDerWaalsContact CE-OE1 3.3Å; K251-E255 WeakPolarHBondContact CE-OE1 3.44Å; K251-E255 WeakPolarHBondContact O-CG 3.29Å; K251-E255 PolarHBondContact O-N 2.98Å; R252-E255 PolarHBondContact O-N 3.27Å; E255-E258 PolarHBondContact O-N 3.37Å; E255-L259 WeakPolarHBondContact O-CG 3.32Å; E255-L259 PolarHBondContact O-N 3.05Å |
| 256 | R | 92.9 | Very high | 90 | Very high | 2 Ų | 2 | 69.7 Ų | 69.7 | 1% | 0.008 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -63.1 | -41 | 174.2 | -77.1 | 178.8 | 72.6 | -148.6 | -7.6 | 112.3 | W237 M240 Q241 R252 E253 Q254 E258 L259 R260 D298 | W237-R256 PolarHBondContact NE1-O 3.48Å; W237-R256 PolarHBondContact O-NE 2.67Å; M240-R256 HydrophobicContact CB-CG 3.82Å; M240-R256 HydrophobicContact SD-CG 4.41Å; Q241-R256 VanDerWaalsContact CB-NH1 3.32Å; R252-R256 WeakPolarHBondContact O-CB 3.29Å; R252-R256 VanDerWaalsContact O-CG 3.26Å; R252-R256 WeakPolarHBondContact O-CG 3.38Å; R252-R256 PolarHBondContact O-N 3.03Å; E253-R256 PolarHBondContact O-N 3Å; Q254-R256 VanDerWaalsContact C-N 3.26Å; Q254-R256 PolarHBondContact O-N 3.28Å; R256-E258 VanDerWaalsContact C-N 3.28Å; R256-E258 PolarHBondContact O-N 3.3Å; R256-L259 PolarHBondContact O-N 3.26Å; R256-R260 PolarHBondContact O-N 3.37Å; R256-D298 IonicContact CZ-OD1 3.25Å; R256-D298 IonicContact CZ-OD2 3.11Å; R256-D298 IonicContact NH1-OD1 3.64Å; R256-D298 PolarHBondContact NH1-OD1 3.17Å; R256-D298 IonicContact NH1-OD2 3.93Å; R256-D298 IonicContact NH2-OD1 2.64Å; R256-D298 PolarHBondContact NH2-OD1 3.05Å; R256-D298 VanDerWaalsContact NH2-OD1 3.16Å; R256-D298 IonicContact NH2-OD2 3.96Å; R256-D298 PolarHBondContact NH2-OD2 3.34Å |
| 257 | R | 91.5 | Very high | 90.6 | Very high | 98 Ų | 98 | 64.4 Ų | 64.4 | 37% | 0.37 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -63.9 | -34.4 | 176.6 | -72.7 | 176.4 | -167.4 | 113.6 | 8.9 | 111.5 | E253 Q254 L259 R260 I300 | E253-R257 WeakPolarHBondContact O-CG 2.98Å; E253-R257 PolarHBondContact O-N 3.42Å; E253-R257 IonicContact OE2-NH2 3.64Å; E253-R257 PolarHBondContact OE2-NH2 2.89Å; Q254-R257 WeakPolarHBondContact O-CB 3.36Å; Q254-R257 PolarHBondContact O-N 3.47Å; R257-L259 VanDerWaalsContact C-N 3.34Å; R257-R260 WeakPolarHBondContact O-CD 3.3Å; R257-R260 WeakPolarHBondContact O-CG 3.42Å; R257-R260 PolarHBondContact O-NE 3.21Å; R257-I300 HydrophobicContact CG-CG2 4.13Å |
| 258 | E | 89.3 | Confident | 91.1 | Very high | 102 Ų | 102 | 57.1 Ų | 57.1 | 48% | 0.477 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -67.1 | -34.9 | 175.4 | -68.9 | 169.8 | -168.3 | 0 | 0 | 112.1 | Q254 E255 R256 | Q254-E258 PolarHBondContact NE2-OE1 3.5Å; Q254-E258 PolarHBondContact O-N 3.35Å; E255-E258 PolarHBondContact O-N 3.37Å; R256-E258 VanDerWaalsContact C-N 3.28Å; R256-E258 PolarHBondContact O-N 3.3Å |
| 259 | L | 91.6 | Very high | 91.5 | Very high | 12 Ų | 12 | 56.3 Ų | 56.3 | 6% | 0.063 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -86.2 | -6.2 | -179.3 | -62.1 | 179.4 | 0 | 0 | 0 | 115.3 | P55 L142 F143 M240 E255 R256 R257 I261 L262 | P55-L259 HydrophobicContact CB-CD1 3.99Å; P55-L259 HydrophobicContact CB-CD2 4.49Å; P55-L259 HydrophobicContact CB-CG 4.48Å; L142-L259 HydrophobicContact CD2-CB 4.02Å; L142-L259 HydrophobicContact CD2-CD1 4.01Å; F143-L259 HydrophobicContact CE2-CD2 4.06Å; F143-L259 HydrophobicContact CZ-CD2 3.61Å; M240-L259 HydrophobicContact CE-CD1 3.66Å; M240-L259 HydrophobicContact SD-CD1 3.86Å; E255-L259 WeakPolarHBondContact O-CG 3.32Å; E255-L259 PolarHBondContact O-N 3.05Å; R256-L259 PolarHBondContact O-N 3.26Å; R257-L259 VanDerWaalsContact C-N 3.34Å; L259-I261 PolarHBondContact O-N 3.42Å; L259-I261 VanDerWaalsContact O-N 3.07Å; L259-L262 HydrophobicContact CB-CD1 4.36Å; L259-L262 HydrophobicContact CD2-CD1 3.96Å; L259-L262 WeakPolarHBondContact O-CB 3.47Å; L259-L262 WeakPolarHBondContact O-CG 3.45Å; L259-L262 PolarHBondContact O-N 2.95Å |
| 260 | R | 94.1 | Very high | 91.8 | Very high | 109 Ų | 109 | 49.4 Ų | 49.4 | 41% | 0.411 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -53.3 | -35.4 | -173.1 | 72 | -169.2 | 172 | 160.1 | -0.4 | 113.5 | W237 R256 R257 L262 V263 G264 Y304 | W237-R260 HydrophobicContact CH2-CB 3.85Å; W237-R260 HydrophobicContact CZ2-CB 3.52Å; R256-R260 PolarHBondContact O-N 3.37Å; R257-R260 WeakPolarHBondContact O-CD 3.3Å; R257-R260 WeakPolarHBondContact O-CG 3.42Å; R257-R260 PolarHBondContact O-NE 3.21Å; R260-L262 PolarHBondContact O-N 3.3Å; R260-V263 PolarHBondContact O-N 3.35Å; R260-G264 PolarHBondContact O-N 3.22Å; R260-G264 VanDerWaalsContact O-N 3.16Å; R260-Y304 HydrophobicContact CB-CD1 3.75Å; R260-Y304 HydrophobicContact CB-CD2 4.24Å; R260-Y304 HydrophobicContact CB-CE1 3.7Å; R260-Y304 HydrophobicContact CB-CE2 4.2Å; R260-Y304 HydrophobicContact CB-CG 4.01Å; R260-Y304 HydrophobicContact CG-CD1 4.27Å; R260-Y304 HydrophobicContact CG-CD2 3.89Å; R260-Y304 HydrophobicContact CG-CE1 4.06Å; R260-Y304 HydrophobicContact CG-CE2 3.65Å; R260-Y304 HydrophobicContact CG-CG 4.17Å; R260-Y304 WeakPolarHBondContact O-CE1 3.42Å; R260-Y304 PolarHBondContact O-OH 2.73Å |
| 261 | I | 93.6 | Very high | 92.1 | Very high | 115 Ų | 115 | 43 Ų | 43 | 59% | 0.59 | 20% | 0.204 | S | C | * | . | H | α-helix | trans | -56.5 | -34.4 | 179.8 | -60 | 173.8 | 0 | 0 | 0 | 111.9 | L259 V263 G264 A265 Y304 | L259-I261 PolarHBondContact O-N 3.42Å; L259-I261 VanDerWaalsContact O-N 3.07Å; I261-V263 VanDerWaalsContact C-N 3.3Å; I261-V263 PolarHBondContact O-N 2.9Å; I261-G264 PolarHBondContact O-N 3.49Å; I261-A265 WeakPolarHBondContact O-CB 3.29Å; I261-A265 PolarHBondContact O-N 2.89Å; I261-Y304 WeakPolarHBondContact CA-OH 3.33Å |
| 262 | L | 93.2 | Very high | 92.5 | Very high | 16 Ų | 16 | 42.3 Ų | 42.3 | 8% | 0.084 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63.6 | -38.1 | 179.9 | -55.6 | 179.4 | 0 | 0 | 0 | 111.5 | L142 F143 S146 M233 L259 R260 | L142-L262 HydrophobicContact CD1-CB 4.46Å; L142-L262 HydrophobicContact CD2-CB 4.33Å; L142-L262 HydrophobicContact CD2-CD1 3.81Å; L142-L262 HydrophobicContact CG-CB 4.17Å; L142-L262 HydrophobicContact CG-CD1 3.96Å; F143-L262 HydrophobicContact CD1-CD1 3.97Å; F143-L262 HydrophobicContact CE1-CD1 3.55Å; F143-L262 HydrophobicContact CE1-CD2 4.46Å; F143-L262 HydrophobicContact CE2-CD1 4.46Å; F143-L262 HydrophobicContact CZ-CD1 3.85Å; S146-L262 WeakPolarHBondContact OG-CD2 3.19Å; M233-L262 HydrophobicContact CE-CB 4.02Å; M233-L262 WeakPolarHBondContact CE-O 3.26Å; L259-L262 HydrophobicContact CB-CD1 4.36Å; L259-L262 HydrophobicContact CD2-CD1 3.96Å; L259-L262 WeakPolarHBondContact O-CB 3.47Å; L259-L262 WeakPolarHBondContact O-CG 3.45Å; L259-L262 PolarHBondContact O-N 2.95Å; R260-L262 PolarHBondContact O-N 3.3Å |
| 263 | V | 95.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -74.4 | -47.6 | 178.3 | -174.1 | 0 | 0 | 0 | 0 | 110.1 | L142 F230 M233 N234 W237 R260 I261 A265 N266 L305 | L142-V263 HydrophobicContact CD1-CG2 3.76Å; F230-V263 HydrophobicContact CD2-CG1 4.07Å; F230-V263 HydrophobicContact CE2-CG1 3.95Å; M233-V263 HydrophobicContact CB-CG1 4.5Å; M233-V263 HydrophobicContact CB-CG2 4.42Å; N234-V263 HydrophobicContact CB-CG1 4.25Å; W237-V263 HydrophobicContact CB-CG2 3.8Å; W237-V263 HydrophobicContact CD2-CG2 3.87Å; W237-V263 HydrophobicContact CE3-CB 4.25Å; W237-V263 HydrophobicContact CE3-CG1 4.32Å; W237-V263 HydrophobicContact CE3-CG2 3.8Å; W237-V263 HydrophobicContact CG-CG2 3.9Å; R260-V263 PolarHBondContact O-N 3.35Å; I261-V263 VanDerWaalsContact C-N 3.3Å; I261-V263 PolarHBondContact O-N 2.9Å; V263-A265 PolarHBondContact O-N 3.49Å; V263-N266 PolarHBondContact O-N 2.98Å; V263-N266 PolarHBondContact O-ND2 2.82Å; V263-N266 VanDerWaalsContact O-ND2 3.07Å; V263-L305 HydrophobicContact CG1-CD2 4.07Å |
| 264 | G | 94.5 | Very high | 92.3 | Very high | 4 Ų | 4 | 48.4 Ų | 48.4 | 4% | 0.041 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -64.3 | -23.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | R260 I261 N266 L267 N268 | R260-G264 PolarHBondContact O-N 3.22Å; R260-G264 VanDerWaalsContact O-N 3.16Å; I261-G264 PolarHBondContact O-N 3.49Å; G264-N266 PolarHBondContact O-N 3.24Å; G264-N266 VanDerWaalsContact O-N 3.17Å; G264-L267 PolarHBondContact O-N 3.22Å; G264-N268 PolarHBondContact O-N 3.23Å; G264-N268 VanDerWaalsContact O-N 3.17Å |
| 265 | A | 94.7 | Very high | 92.1 | Very high | 32 Ų | 32 | 45.4 Ų | 45.4 | 26% | 0.264 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -57.4 | -29 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | L149 I261 V263 L267 N268 R269 | L149-A265 HydrophobicContact CD2-CB 3.67Å; I261-A265 WeakPolarHBondContact O-CB 3.29Å; I261-A265 PolarHBondContact O-N 2.89Å; V263-A265 PolarHBondContact O-N 3.49Å; A265-L267 VanDerWaalsContact C-N 3.34Å; A265-N268 PolarHBondContact O-N 2.84Å; A265-R269 WeakPolarHBondContact O-CB 3.35Å; A265-R269 PolarHBondContact O-N 3.06Å |
| 266 | N | 94.3 | Very high | 92.2 | Very high | 2 Ų | 2 | 44.8 Ų | 44.8 | 1% | 0.011 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -64.9 | -40.7 | 175.5 | -66.6 | -84.8 | 0 | 0 | 0 | 111.4 | L149 N229 F230 M233 V263 G264 R269 L270 | L149-N266 HydrophobicContact CD2-CB 4.35Å; N229-N266 PolarHBondContact ND2-OD1 3.05Å; F230-N266 HydrophobicContact CB-CB 3.8Å; F230-N266 HydrophobicContact CD2-CB 4.28Å; F230-N266 HydrophobicContact CG-CB 4.47Å; M233-N266 PolarHBondContact SD-ND2 3.03Å; V263-N266 PolarHBondContact O-N 2.98Å; V263-N266 PolarHBondContact O-ND2 2.82Å; V263-N266 VanDerWaalsContact O-ND2 3.07Å; G264-N266 PolarHBondContact O-N 3.24Å; G264-N266 VanDerWaalsContact O-N 3.17Å; N266-R269 PolarHBondContact O-N 2.93Å; N266-L270 WeakPolarHBondContact O-CB 3.27Å; N266-L270 PolarHBondContact O-N 3.47Å |
| 267 | L | 95.8 | Very high | 92 | Very high | 1 Ų | 1 | 48.1 Ų | 48.1 | 1% | 0.005 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -69.3 | -39 | 179 | -56.4 | -173.7 | 0 | 0 | 0 | 111 | F230 G264 A265 R269 L270 S271 I289 L305 V308 V309 V312 | F230-L267 HydrophobicContact CD1-CD2 4.41Å; F230-L267 HydrophobicContact CD2-CD2 4.01Å; F230-L267 HydrophobicContact CD2-CG 4.25Å; F230-L267 HydrophobicContact CE1-CD2 4.41Å; F230-L267 HydrophobicContact CE2-CD1 4.15Å; F230-L267 HydrophobicContact CE2-CD2 4.01Å; F230-L267 HydrophobicContact CE2-CG 4.07Å; F230-L267 HydrophobicContact CG-CD2 4.21Å; F230-L267 HydrophobicContact CZ-CD1 4.39Å; F230-L267 HydrophobicContact CZ-CD2 4.2Å; G264-L267 PolarHBondContact O-N 3.22Å; A265-L267 VanDerWaalsContact C-N 3.34Å; L267-R269 VanDerWaalsContact C-N 3.34Å; L267-L270 WeakPolarHBondContact O-CB 3.34Å; L267-L270 PolarHBondContact O-N 2.86Å; L267-S271 PolarHBondContact O-N 3.35Å; L267-I289 HydrophobicContact CD1-CG2 4.37Å; L267-I289 HydrophobicContact CD2-CD1 3.73Å; L267-I289 HydrophobicContact CD2-CG1 3.92Å; L267-I289 HydrophobicContact CD2-CG2 4.19Å; L267-L305 HydrophobicContact CD1-CD2 4.37Å; L267-V308 HydrophobicContact CB-CG1 3.88Å; L267-V308 HydrophobicContact CD1-CB 4.32Å; L267-V308 HydrophobicContact CD1-CG1 3.77Å; L267-V308 HydrophobicContact CG-CG1 4.35Å; L267-V309 HydrophobicContact CD1-CG2 3.96Å; L267-V312 HydrophobicContact CB-CG2 4.28Å |
| 268 | N | 94.1 | Very high | 92 | Very high | 69 Ų | 69 | 46.1 Ų | 46.1 | 37% | 0.369 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -62.5 | -40.5 | 172 | -169.6 | 6.9 | 0 | 0 | 0 | 112.2 | G264 A265 L270 S271 Q272 V312 | G264-N268 PolarHBondContact O-N 3.23Å; G264-N268 VanDerWaalsContact O-N 3.17Å; A265-N268 PolarHBondContact O-N 2.84Å; N268-L270 VanDerWaalsContact C-N 3.3Å; N268-L270 PolarHBondContact O-N 2.85Å; N268-S271 PolarHBondContact O-N 3.25Å; N268-S271 PolarHBondContact O-OG 3.45Å; N268-Q272 WeakPolarHBondContact O-CG 3.43Å; N268-Q272 PolarHBondContact O-N 2.87Å; N268-Q272 PolarHBondContact OD1-NE2 2.88Å; N268-V312 HydrophobicContact CB-CG1 3.69Å; N268-V312 WeakPolarHBondContact OD1-CG1 3.27Å |
| 269 | R | 93.2 | Very high | 92 | Very high | 37 Ų | 37 | 47.9 Ų | 47.9 | 14% | 0.14 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -66.7 | -36.1 | 175.2 | -175 | 54.5 | 54.6 | 70.5 | 5.9 | 111.6 | L149 L152 R153 L157 L226 A265 N266 L267 Q272 | L149-R269 HydrophobicContact CD1-CB 3.94Å; L149-R269 HydrophobicContact CD1-CG 3.98Å; L149-R269 PolarHBondContact O-NH1 3.24Å; L152-R269 PolarHBondContact O-NH1 3.35Å; R153-R269 VanDerWaalsContact CA-NH1 3.35Å; L157-R269 HydrophobicContact CD1-CG 3.94Å; L226-R269 HydrophobicContact CD1-CB 4.45Å; L226-R269 HydrophobicContact CD1-CG 4.05Å; L226-R269 HydrophobicContact CD2-CB 4.11Å; L226-R269 HydrophobicContact CD2-CG 3.77Å; A265-R269 WeakPolarHBondContact O-CB 3.35Å; A265-R269 PolarHBondContact O-N 3.06Å; N266-R269 PolarHBondContact O-N 2.93Å; L267-R269 VanDerWaalsContact C-N 3.34Å; R269-Q272 PolarHBondContact O-N 3.08Å |
| 270 | L | 93.5 | Very high | 91.9 | Very high | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.005 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -66.2 | -40.5 | 177.4 | -164.7 | 65 | 0 | 0 | 0 | 111.3 | I223 L226 L227 N266 L267 N268 Q272 L273 I276 V285 I289 F313 | I223-L270 HydrophobicContact CB-CD1 4.48Å; I223-L270 HydrophobicContact CG1-CD1 4.15Å; L226-L270 HydrophobicContact CB-CD1 4.01Å; L226-L270 HydrophobicContact CD1-CB 4.04Å; L226-L270 HydrophobicContact CD1-CD1 3.58Å; L226-L270 HydrophobicContact CD1-CG 4.42Å; L226-L270 HydrophobicContact CG-CD1 4.44Å; L227-L270 HydrophobicContact CD2-CD2 4.03Å; N266-L270 WeakPolarHBondContact O-CB 3.27Å; N266-L270 PolarHBondContact O-N 3.47Å; L267-L270 WeakPolarHBondContact O-CB 3.34Å; L267-L270 PolarHBondContact O-N 2.86Å; N268-L270 VanDerWaalsContact C-N 3.3Å; N268-L270 PolarHBondContact O-N 2.85Å; L270-Q272 PolarHBondContact O-N 2.95Å; L270-L273 HydrophobicContact CD1-CD1 4.14Å; L270-L273 PolarHBondContact O-N 3.49Å; L270-I276 HydrophobicContact CD1-CD1 4.04Å; L270-I276 HydrophobicContact CG-CD1 4.17Å; L270-I276 VanDerWaalsContact O-CD1 3.26Å; L270-I276 WeakPolarHBondContact O-CD1 3.43Å; L270-V285 HydrophobicContact CD2-CB 4.49Å; L270-V285 HydrophobicContact CD2-CG1 3.37Å; L270-V285 HydrophobicContact CG-CG1 4.06Å; L270-I289 HydrophobicContact CD2-CD1 3.93Å; L270-F313 HydrophobicContact CB-CZ 4.42Å; L270-F313 HydrophobicContact CD2-CZ 4.23Å; L270-F313 HydrophobicContact CG-CZ 4.46Å |
| 271 | S | 92.9 | Very high | 92 | Very high | 31 Ų | 31 | 43.9 Ų | 43.9 | 22% | 0.217 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -71.2 | -11.6 | 176.5 | 70.6 | 0 | 0 | 0 | 0 | 114.4 | L267 N268 V312 | L267-S271 PolarHBondContact O-N 3.35Å; N268-S271 PolarHBondContact O-N 3.25Å; N268-S271 PolarHBondContact O-OG 3.45Å; S271-V312 VanDerWaalsContact CB-O 3.28Å; S271-V312 WeakPolarHBondContact CB-O 3.46Å; S271-V312 PolarHBondContact OG-O 2.96Å |
| 272 | Q | 91.8 | Very high | 91.9 | Very high | 83 Ų | 83 | 41 Ų | 41 | 39% | 0.388 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | -4.3 | 177.6 | -73.7 | 166.5 | 10 | 0 | 0 | 113.6 | N268 R269 L270 | N268-Q272 WeakPolarHBondContact O-CG 3.43Å; N268-Q272 PolarHBondContact O-N 2.87Å; N268-Q272 PolarHBondContact OD1-NE2 2.88Å; R269-Q272 PolarHBondContact O-N 3.08Å; L270-Q272 PolarHBondContact O-N 2.95Å |
| 273 | L | 90 | Very high | 91.8 | Very high | 8 Ų | 8 | 43.4 Ų | 43.4 | 4% | 0.042 | 23% | 0.225 | C | C | . | . | trans | -80.4 | 121.7 | 177.1 | -65.1 | 175.2 | 0 | 0 | 0 | 109.3 | L157 I219 L226 L270 I276 | L157-L273 HydrophobicContact CB-CD2 4.13Å; L157-L273 HydrophobicContact CD1-CD2 4.16Å; I219-L273 HydrophobicContact CD1-CB 3.94Å; I219-L273 HydrophobicContact CD1-CD1 3.79Å; I219-L273 HydrophobicContact CD1-CD2 4.49Å; I219-L273 HydrophobicContact CD1-CG 4.29Å; L226-L273 HydrophobicContact CD1-CD1 3.79Å; L270-L273 HydrophobicContact CD1-CD1 4.14Å; L270-L273 PolarHBondContact O-N 3.49Å; L273-I276 HydrophobicContact CB-CD1 3.84Å; L273-I276 HydrophobicContact CB-CG1 3.9Å; L273-I276 HydrophobicContact CD1-CD1 4.08Å | ||
| 274 | E | 85.6 | Confident | 91.7 | Very high | 180 Ų | 180 | 47.2 Ų | 47.2 | 84% | 0.841 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.9 | -29.3 | -169.6 | -65.6 | -177.8 | -179.8 | 0 | 0 | 112 | D159 I276 | D159-E274 PolarHBondContact OD2-N 3.48Å; E274-I276 VanDerWaalsContact C-N 3.27Å; E274-I276 PolarHBondContact O-N 3.38Å |
| 275 | S | 85.1 | Confident | 91.7 | Very high | 27 Ų | 27 | 47 Ų | 47 | 19% | 0.189 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | 7.8 | -179.4 | -46.2 | 0 | 0 | 0 | 0 | 114.4 | D159 D277 | D159-S275 PolarHBondContact O-OG 3.3Å; D159-S275 WeakPolarHBondContact OD1-CB 3.41Å; D159-S275 PolarHBondContact OD1-N 3.39Å; D159-S275 PolarHBondContact OD1-OG 3.43Å; S275-D277 PolarHBondContact O-N 2.9Å |
| 276 | I | 89.2 | Confident | 91.7 | Very high | 11 Ų | 11 | 45.5 Ų | 45.5 | 6% | 0.056 | 23% | 0.229 | C | C | . | . | trans | -81.5 | 103.8 | 171.2 | -60.6 | -175.6 | 0 | 0 | 0 | 108 | I219 I223 L270 L273 E274 V285 F317 | I219-I276 HydrophobicContact CD1-CG1 4.2Å; I219-I276 HydrophobicContact CG1-CG1 4.38Å; I223-I276 HydrophobicContact CD1-CD1 4.43Å; I223-I276 HydrophobicContact CD1-CG1 4.39Å; I223-I276 HydrophobicContact CG1-CD1 4.25Å; L270-I276 HydrophobicContact CD1-CD1 4.04Å; L270-I276 HydrophobicContact CG-CD1 4.17Å; L270-I276 VanDerWaalsContact O-CD1 3.26Å; L270-I276 WeakPolarHBondContact O-CD1 3.43Å; L273-I276 HydrophobicContact CB-CD1 3.84Å; L273-I276 HydrophobicContact CB-CG1 3.9Å; L273-I276 HydrophobicContact CD1-CD1 4.08Å; E274-I276 VanDerWaalsContact C-N 3.27Å; E274-I276 PolarHBondContact O-N 3.38Å; I276-V285 HydrophobicContact CD1-CG2 4.23Å; I276-V285 HydrophobicContact CG2-CG2 4.26Å; I276-F317 HydrophobicContact CG2-CE2 4.12Å; I276-F317 VanDerWaalsContact O-CZ 3.23Å; I276-F317 WeakPolarHBondContact O-CZ 3.46Å | ||
| 277 | D | 89.9 | Confident | 91.8 | Very high | 73 Ų | 73 | 46.6 Ų | 46.6 | 39% | 0.39 | 24% | 0.235 | S | C | . | . | trans | -83.8 | 172.9 | 170.3 | 65.1 | 7.9 | 0 | 0 | 0 | 112.1 | S275 E279 R280 Y281 | S275-D277 PolarHBondContact O-N 2.9Å; D277-E279 PolarHBondContact O-N 2.96Å; D277-E279 PolarHBondContact OD1-N 3.2Å; D277-R280 PolarHBondContact O-N 3.34Å; D277-R280 WeakPolarHBondContact OD1-CB 3.28Å; D277-R280 WeakPolarHBondContact OD1-CG 3.49Å; D277-R280 PolarHBondContact OD1-N 3.23Å; D277-Y281 WeakPolarHBondContact O-CB 3.37Å; D277-Y281 PolarHBondContact O-N 3.01Å | ||
| 278 | V | 89.6 | Confident | 91.8 | Very high | 55 Ų | 55 | 48.5 Ų | 48.5 | 33% | 0.333 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -58.7 | -36.4 | 179.5 | -177.1 | 0 | 0 | 0 | 0 | 111.5 | Y281 K282 F317 A320 | V278-Y281 PolarHBondContact O-N 3.26Å; V278-K282 VanDerWaalsContact O-CB 3.31Å; V278-K282 WeakPolarHBondContact O-CB 3.12Å; V278-K282 PolarHBondContact O-N 3.01Å; V278-F317 HydrophobicContact CB-CD1 4.46Å; V278-F317 HydrophobicContact CG2-CD1 3.74Å; V278-F317 HydrophobicContact CG2-CE1 3.7Å; V278-A320 HydrophobicContact CG1-CB 3.37Å |
| 279 | E | 89.5 | Confident | 91.9 | Very high | 140 Ų | 140 | 45.2 Ų | 45.2 | 65% | 0.654 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -71.4 | -46.5 | -177.2 | -172.5 | 168.5 | -174 | 0 | 0 | 111.8 | D277 Y281 K282 T283 | D277-E279 PolarHBondContact O-N 2.96Å; D277-E279 PolarHBondContact OD1-N 3.2Å; E279-Y281 VanDerWaalsContact C-N 3.32Å; E279-Y281 PolarHBondContact O-N 3.45Å; E279-K282 PolarHBondContact O-N 3.17Å; E279-T283 WeakPolarHBondContact O-CB 3.18Å; E279-T283 WeakPolarHBondContact O-CG2 3.18Å; E279-T283 PolarHBondContact O-N 3.1Å; E279-T283 PolarHBondContact O-OG1 3.31Å |
| 280 | R | 90.9 | Very high | 92.1 | Very high | 36 Ų | 36 | 43.5 Ų | 43.5 | 14% | 0.136 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63.5 | -38.7 | 172.3 | -72.6 | -179.9 | -174.7 | -94.6 | 2.5 | 111.3 | D162 D277 K282 T283 Q284 V285 | D162-R280 IonicContact OD2-CZ 3.6Å; D162-R280 VanDerWaalsContact OD2-CZ 3.3Å; D162-R280 IonicContact OD2-NH1 3.77Å; D162-R280 PolarHBondContact OD2-NH1 3.38Å; D162-R280 IonicContact OD2-NH2 3.77Å; D162-R280 PolarHBondContact OD2-NH2 3.31Å; D277-R280 PolarHBondContact O-N 3.34Å; D277-R280 WeakPolarHBondContact OD1-CB 3.28Å; D277-R280 WeakPolarHBondContact OD1-CG 3.49Å; D277-R280 PolarHBondContact OD1-N 3.23Å; R280-K282 PolarHBondContact O-N 3.33Å; R280-T283 PolarHBondContact O-N 3.27Å; R280-Q284 WeakPolarHBondContact O-CA 3.28Å; R280-Q284 WeakPolarHBondContact O-CB 3.35Å; R280-Q284 PolarHBondContact O-N 3.1Å; R280-V285 PolarHBondContact O-N 3.38Å |
| 281 | Y | 94.5 | Very high | 92.2 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 24% | 0.243 | C | C | . | . | I | π-helix | trans | -59.2 | -49.7 | 176 | 177.9 | -103.4 | 0 | 0 | 0 | 111.6 | D277 V278 E279 T283 V285 L286 F313 F317 T321 | D277-Y281 WeakPolarHBondContact O-CB 3.37Å; D277-Y281 PolarHBondContact O-N 3.01Å; V278-Y281 PolarHBondContact O-N 3.26Å; E279-Y281 VanDerWaalsContact C-N 3.32Å; E279-Y281 PolarHBondContact O-N 3.45Å; Y281-T283 PolarHBondContact O-N 3.47Å; Y281-V285 HydrophobicContact CD2-CB 3.96Å; Y281-V285 HydrophobicContact CD2-CG1 3.77Å; Y281-V285 HydrophobicContact CE2-CG1 4.06Å; Y281-V285 PolarHBondContact O-N 3.49Å; Y281-L286 HydrophobicContact CD1-CB 4.43Å; Y281-L286 HydrophobicContact CE1-CB 4.03Å; Y281-L286 HydrophobicContact CE1-CD2 3.86Å; Y281-L286 HydrophobicContact CE1-CG 4.41Å; Y281-L286 HydrophobicContact CE2-CB 4.1Å; Y281-L286 WeakPolarHBondContact O-CB 3.26Å; Y281-L286 PolarHBondContact O-N 3.02Å; Y281-F313 AromaticContact CD2-CD1 3.95Å; Y281-F313 HydrophobicContact CD2-CD1 3.95Å; Y281-F313 HydrophobicContact CD2-CE1 4.07Å; Y281-F313 HydrophobicContact CD2-CG 4.42Å; Y281-F313 HydrophobicContact CE2-CB 4.19Å; Y281-F313 AromaticContact CE2-CD1 3.48Å; Y281-F313 HydrophobicContact CE2-CD1 3.48Å; Y281-F313 VanDerWaalsContact CE2-CD1 3.48Å; Y281-F313 AromaticContact CE2-CD2 3.81Å; Y281-F313 HydrophobicContact CE2-CD2 3.81Å; Y281-F313 AromaticContact CE2-CE1 3.71Å; Y281-F313 HydrophobicContact CE2-CE1 3.71Å; Y281-F313 HydrophobicContact CE2-CE2 4.02Å; Y281-F313 AromaticContact CE2-CG 3.54Å; Y281-F313 HydrophobicContact CE2-CG 3.54Å; Y281-F313 AromaticContact CE2-CZ 3.98Å; Y281-F313 HydrophobicContact CE2-CZ 3.98Å; Y281-F313 AromaticContact CZ-CG 3.98Å; Y281-F317 HydrophobicContact CD1-CB 3.6Å; Y281-F317 AromaticContact CD1-CD2 3.96Å; Y281-F317 HydrophobicContact CD1-CD2 3.96Å; Y281-F317 AromaticContact CD1-CG 4Å; Y281-F317 HydrophobicContact CD1-CG 4Å; Y281-F317 AromaticContact CD2-CD2 3.75Å; Y281-F317 HydrophobicContact CD2-CD2 3.75Å; Y281-F317 HydrophobicContact CD2-CE2 4.42Å; Y281-F317 HydrophobicContact CE1-CB 3.65Å; Y281-F317 HydrophobicContact CE1-CD2 4.46Å; Y281-F317 HydrophobicContact CE1-CG 4.45Å; Y281-F317 HydrophobicContact CE2-CD2 4.3Å; Y281-F317 HydrophobicContact CG-CB 4.12Å; Y281-F317 AromaticContact CG-CD2 3.54Å; Y281-F317 HydrophobicContact CG-CD2 3.54Å; Y281-F317 HydrophobicContact CG-CE2 4.28Å; Y281-F317 HydrophobicContact CG-CG 4.04Å; Y281-T321 HydrophobicContact CD1-CG2 3.76Å; Y281-T321 HydrophobicContact CE1-CG2 3.72Å; Y281-T321 WeakPolarHBondContact CE1-OG1 3.4Å |
| 282 | K | 91.6 | Very high | 92.3 | Very high | 56 Ų | 56 | 47.8 Ų | 47.8 | 24% | 0.243 | 24% | 0.241 | C | C | . | . | I | π-helix | trans | -65 | -33.3 | -179.7 | 179.6 | 179.7 | 177.4 | -170.2 | 0 | 113.8 | V278 E279 R280 P287 T321 S368 Y372 | V278-K282 VanDerWaalsContact O-CB 3.31Å; V278-K282 WeakPolarHBondContact O-CB 3.12Å; V278-K282 PolarHBondContact O-N 3.01Å; E279-K282 PolarHBondContact O-N 3.17Å; R280-K282 PolarHBondContact O-N 3.33Å; K282-P287 WeakPolarHBondContact O-CD 3.4Å; K282-P287 VanDerWaalsContact O-CG 3.28Å; K282-P287 WeakPolarHBondContact O-CG 3.12Å; K282-T321 HydrophobicContact CB-CG2 3.91Å; K282-T321 HydrophobicContact CG-CG2 4.1Å; K282-S368 PolarHBondContact NZ-OG 2.99Å; K282-Y372 PolarHBondContact O-OH 3.19Å |
| 283 | T | 92 | Very high | 92.5 | Very high | 66 Ų | 66 | 43.9 Ų | 43.9 | 41% | 0.405 | 22% | 0.222 | S | C | . | . | I | π-helix | trans | -101.8 | -38.5 | -171.8 | 56.6 | 0 | 0 | 0 | 0 | 114 | E279 R280 Y281 | E279-T283 WeakPolarHBondContact O-CB 3.18Å; E279-T283 WeakPolarHBondContact O-CG2 3.18Å; E279-T283 PolarHBondContact O-N 3.1Å; E279-T283 PolarHBondContact O-OG1 3.31Å; R280-T283 PolarHBondContact O-N 3.27Å; Y281-T283 PolarHBondContact O-N 3.47Å |
| 284 | Q | 92.1 | Very high | 92.7 | Very high | 80 Ų | 80 | 44.2 Ų | 44.2 | 37% | 0.374 | 22% | 0.224 | S | C | . | . | I | π-helix | trans | -113.9 | -27.1 | -169 | -61.4 | 177.7 | 14.2 | 0 | 0 | 113.7 | R280 P288 | R280-Q284 WeakPolarHBondContact O-CA 3.28Å; R280-Q284 WeakPolarHBondContact O-CB 3.35Å; R280-Q284 PolarHBondContact O-N 3.1Å; Q284-P288 WeakPolarHBondContact O-CD 3.46Å; Q284-P288 WeakPolarHBondContact O-CG 3.34Å |
| 285 | V | 94.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 21% | 0.21 | C | C | . | . | I | π-helix | trans | -99.3 | -60.1 | -173 | 173.3 | 0 | 0 | 0 | 0 | 112.3 | I223 L270 I276 R280 Y281 P288 I289 F313 | I223-V285 HydrophobicContact CD1-CG2 4.13Å; I223-V285 HydrophobicContact CG1-CG2 4.4Å; I223-V285 HydrophobicContact CG2-CG2 4.23Å; L270-V285 HydrophobicContact CD2-CB 4.49Å; L270-V285 HydrophobicContact CD2-CG1 3.37Å; L270-V285 HydrophobicContact CG-CG1 4.06Å; I276-V285 HydrophobicContact CD1-CG2 4.23Å; I276-V285 HydrophobicContact CG2-CG2 4.26Å; R280-V285 PolarHBondContact O-N 3.38Å; Y281-V285 HydrophobicContact CD2-CB 3.96Å; Y281-V285 HydrophobicContact CD2-CG1 3.77Å; Y281-V285 HydrophobicContact CE2-CG1 4.06Å; Y281-V285 PolarHBondContact O-N 3.49Å; V285-P288 WeakPolarHBondContact O-CD 3.25Å; V285-I289 HydrophobicContact CG1-CD1 3.7Å; V285-I289 WeakPolarHBondContact O-CD1 3.39Å; V285-I289 VanDerWaalsContact O-CG1 3.28Å; V285-I289 WeakPolarHBondContact O-CG1 3.43Å; V285-I289 PolarHBondContact O-N 3.15Å; V285-F313 HydrophobicContact CG1-CE1 4.27Å; V285-F313 HydrophobicContact CG1-CZ 4.1Å |
| 286 | L | 96.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -66.3 | -45.7 | -172.4 | -179.7 | 63.5 | 0 | 0 | 0 | 113 | Y281 I289 L290 V309 T321 L324 | Y281-L286 HydrophobicContact CD1-CB 4.43Å; Y281-L286 HydrophobicContact CE1-CB 4.03Å; Y281-L286 HydrophobicContact CE1-CD2 3.86Å; Y281-L286 HydrophobicContact CE1-CG 4.41Å; Y281-L286 HydrophobicContact CE2-CB 4.1Å; Y281-L286 WeakPolarHBondContact O-CB 3.26Å; Y281-L286 PolarHBondContact O-N 3.02Å; L286-I289 WeakPolarHBondContact O-CB 3.05Å; L286-I289 PolarHBondContact O-N 3Å; L286-I289 VanDerWaalsContact O-N 3.14Å; L286-L290 HydrophobicContact CD1-CD1 3.77Å; L286-L290 HydrophobicContact CD1-CD2 3.98Å; L286-L290 HydrophobicContact CD1-CG 3.69Å; L286-L290 HydrophobicContact CD2-CD1 4.13Å; L286-L290 HydrophobicContact CG-CD1 3.63Å; L286-L290 HydrophobicContact CG-CG 4Å; L286-L290 WeakPolarHBondContact O-CG 3.45Å; L286-L290 PolarHBondContact O-N 3.45Å; L286-V309 HydrophobicContact CD1-CG1 3.99Å; L286-T321 HydrophobicContact CD2-CG2 3.73Å; L286-T321 WeakPolarHBondContact CD2-OG1 3.15Å; L286-L324 HydrophobicContact CD2-CD2 3.97Å; L286-L324 HydrophobicContact CG-CD2 4.29Å |
| 287 | P | 95.9 | Very high | 93.6 | Very high | 24 Ų | 24 | 48.3 Ų | 48.3 | 16% | 0.156 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -59.9 | -46.3 | -176.7 | -18.9 | 29.4 | 0 | 0 | 0 | 113.7 | K282 I289 L290 E291 L324 Y372 | K282-P287 WeakPolarHBondContact O-CD 3.4Å; K282-P287 VanDerWaalsContact O-CG 3.28Å; K282-P287 WeakPolarHBondContact O-CG 3.12Å; P287-I289 VanDerWaalsContact C-N 3.31Å; P287-I289 PolarHBondContact O-N 2.86Å; P287-L290 PolarHBondContact O-N 2.88Å; P287-E291 WeakPolarHBondContact O-CB 3.46Å; P287-E291 PolarHBondContact O-N 3.4Å; P287-L324 HydrophobicContact CG-CD2 4.39Å; P287-Y372 HydrophobicContact CG-CE1 4.43Å; P287-Y372 HydrophobicContact CG-CE2 4.36Å; P287-Y372 WeakPolarHBondContact CG-OH 3.28Å |
| 288 | P | 95.6 | Very high | 93.8 | Very high | 42 Ų | 42 | 45.1 Ų | 45.1 | 27% | 0.273 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -61.2 | -36.2 | 174.3 | -26.9 | 37.1 | 0 | 0 | 0 | 113.7 | L227 Q284 V285 Q292 | L227-P288 HydrophobicContact CD1-CB 3.95Å; L227-P288 HydrophobicContact CD1-CG 4.13Å; L227-P288 HydrophobicContact CD2-CB 4.47Å; Q284-P288 WeakPolarHBondContact O-CD 3.46Å; Q284-P288 WeakPolarHBondContact O-CG 3.34Å; V285-P288 WeakPolarHBondContact O-CD 3.25Å; P288-Q292 VanDerWaalsContact O-CG 3.29Å; P288-Q292 WeakPolarHBondContact O-CG 3.41Å; P288-Q292 PolarHBondContact O-N 3.37Å |
| 289 | I | 96.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -62.8 | -49.4 | 175.8 | -66.3 | 163.8 | 0 | 0 | 0 | 110.1 | L227 F230 L267 L270 V285 L286 P287 E291 Q292 I293 V309 F313 | L227-I289 HydrophobicContact CD2-CD1 4.21Å; L227-I289 HydrophobicContact CD2-CG1 3.61Å; F230-I289 HydrophobicContact CE1-CG1 4.48Å; F230-I289 HydrophobicContact CE1-CG2 4.2Å; F230-I289 HydrophobicContact CZ-CG2 4.31Å; L267-I289 HydrophobicContact CD1-CG2 4.37Å; L267-I289 HydrophobicContact CD2-CD1 3.73Å; L267-I289 HydrophobicContact CD2-CG1 3.92Å; L267-I289 HydrophobicContact CD2-CG2 4.19Å; L270-I289 HydrophobicContact CD2-CD1 3.93Å; V285-I289 HydrophobicContact CG1-CD1 3.7Å; V285-I289 WeakPolarHBondContact O-CD1 3.39Å; V285-I289 VanDerWaalsContact O-CG1 3.28Å; V285-I289 WeakPolarHBondContact O-CG1 3.43Å; V285-I289 PolarHBondContact O-N 3.15Å; L286-I289 WeakPolarHBondContact O-CB 3.05Å; L286-I289 PolarHBondContact O-N 3Å; L286-I289 VanDerWaalsContact O-N 3.14Å; P287-I289 VanDerWaalsContact C-N 3.31Å; P287-I289 PolarHBondContact O-N 2.86Å; I289-E291 PolarHBondContact O-N 3.3Å; I289-Q292 PolarHBondContact O-N 3.26Å; I289-I293 HydrophobicContact CG2-CD1 3.78Å; I289-I293 HydrophobicContact CG2-CG1 4.42Å; I289-I293 VanDerWaalsContact O-CG1 3.3Å; I289-I293 WeakPolarHBondContact O-CG1 3.49Å; I289-I293 PolarHBondContact O-N 3.26Å; I289-V309 HydrophobicContact CG2-CG2 3.8Å; I289-F313 HydrophobicContact CD1-CE2 4.26Å; I289-F313 HydrophobicContact CD1-CZ 4.18Å |
| 290 | L | 96.5 | Very high | 94 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -65.5 | -38.8 | -178.8 | -63.7 | 175.9 | 0 | 0 | 0 | 112 | L286 P287 Q292 I293 I294 M306 L324 L325 T328 | L286-L290 HydrophobicContact CD1-CD1 3.77Å; L286-L290 HydrophobicContact CD1-CD2 3.98Å; L286-L290 HydrophobicContact CD1-CG 3.69Å; L286-L290 HydrophobicContact CD2-CD1 4.13Å; L286-L290 HydrophobicContact CG-CD1 3.63Å; L286-L290 HydrophobicContact CG-CG 4Å; L286-L290 WeakPolarHBondContact O-CG 3.45Å; L286-L290 PolarHBondContact O-N 3.45Å; P287-L290 PolarHBondContact O-N 2.88Å; L290-Q292 PolarHBondContact O-N 3.16Å; L290-I293 HydrophobicContact CD2-CD1 4.45Å; L290-I293 PolarHBondContact O-N 3.42Å; L290-I294 VanDerWaalsContact O-CG1 3.29Å; L290-I294 WeakPolarHBondContact O-CG1 3.41Å; L290-I294 PolarHBondContact O-N 3.04Å; L290-M306 HydrophobicContact CD2-SD 3.95Å; L290-L324 HydrophobicContact CD1-CD1 4.23Å; L290-L324 HydrophobicContact CD1-CD2 3.97Å; L290-L324 HydrophobicContact CD1-CG 3.64Å; L290-L325 HydrophobicContact CD2-CD1 4.09Å; L290-T328 HydrophobicContact CB-CG2 4.32Å; L290-T328 HydrophobicContact CD2-CG2 3.95Å |
| 291 | E | 95.7 | Very high | 94.2 | Very high | 85 Ų | 85 | 37.6 Ų | 37.6 | 40% | 0.397 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -57.7 | -48.9 | 172.8 | -175.6 | 173.5 | -153.3 | 0 | 0 | 110.7 | P287 I289 I293 I294 E295 | P287-E291 WeakPolarHBondContact O-CB 3.46Å; P287-E291 PolarHBondContact O-N 3.4Å; I289-E291 PolarHBondContact O-N 3.3Å; E291-I293 VanDerWaalsContact C-N 3.31Å; E291-I293 PolarHBondContact O-N 3.18Å; E291-I294 PolarHBondContact O-N 3.07Å; E291-E295 HydrophobicContact CG-CG 4.25Å; E291-E295 WeakPolarHBondContact O-CB 3.28Å; E291-E295 VanDerWaalsContact O-CG 3.3Å; E291-E295 WeakPolarHBondContact O-CG 3.49Å; E291-E295 PolarHBondContact O-N 2.88Å |
| 292 | Q | 95.1 | Very high | 94.3 | Very high | 38 Ų | 38 | 37.6 Ų | 37.6 | 18% | 0.178 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -63.1 | -34.2 | 176.9 | -69.1 | -54.3 | -53.1 | 0 | 0 | 113.3 | F230 N234 P288 I289 L290 C296 | F230-Q292 HydrophobicContact CE1-CB 3.94Å; F230-Q292 HydrophobicContact CE1-CG 4.47Å; N234-Q292 PolarHBondContact ND2-O 3.17Å; P288-Q292 VanDerWaalsContact O-CG 3.29Å; P288-Q292 WeakPolarHBondContact O-CG 3.41Å; P288-Q292 PolarHBondContact O-N 3.37Å; I289-Q292 PolarHBondContact O-N 3.26Å; L290-Q292 PolarHBondContact O-N 3.16Å; Q292-C296 WeakPolarHBondContact O-CB 3.37Å; Q292-C296 PolarHBondContact O-N 3.23Å |
| 293 | I | 96.2 | Very high | 94.4 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -67.2 | -44.4 | 174.9 | -70.4 | 171.3 | 0 | 0 | 0 | 110.5 | I289 L290 E291 C296 Q302 L305 M306 V309 L332 | I289-I293 HydrophobicContact CG2-CD1 3.78Å; I289-I293 HydrophobicContact CG2-CG1 4.42Å; I289-I293 VanDerWaalsContact O-CG1 3.3Å; I289-I293 WeakPolarHBondContact O-CG1 3.49Å; I289-I293 PolarHBondContact O-N 3.26Å; L290-I293 HydrophobicContact CD2-CD1 4.45Å; L290-I293 PolarHBondContact O-N 3.42Å; E291-I293 VanDerWaalsContact C-N 3.31Å; E291-I293 PolarHBondContact O-N 3.18Å; I293-C296 PolarHBondContact O-SG 3.44Å; I293-Q302 HydrophobicContact CG2-CB 4.33Å; I293-Q302 HydrophobicContact CG2-CG 3.92Å; I293-Q302 WeakPolarHBondContact O-CG 3.48Å; I293-Q302 PolarHBondContact O-NE2 3.19Å; I293-L305 HydrophobicContact CD1-CB 3.71Å; I293-L305 HydrophobicContact CG1-CB 3.76Å; I293-L305 HydrophobicContact CG1-CD1 4.04Å; I293-M306 HydrophobicContact CD1-SD 4.12Å; I293-M306 HydrophobicContact CG2-CG 4.11Å; I293-M306 HydrophobicContact CG2-SD 4.18Å; I293-V309 HydrophobicContact CD1-CG2 4.3Å; I293-L332 HydrophobicContact CG2-CD2 3.95Å |
| 294 | I | 94.2 | Very high | 94.6 | Very high | 16 Ų | 16 | 36.1 Ų | 36.1 | 8% | 0.082 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -69.2 | -46.3 | -180 | -64.6 | 164.4 | 0 | 0 | 0 | 110.7 | L290 E291 C296 R297 Q302 T328 H331 I375 | L290-I294 VanDerWaalsContact O-CG1 3.29Å; L290-I294 WeakPolarHBondContact O-CG1 3.41Å; L290-I294 PolarHBondContact O-N 3.04Å; E291-I294 PolarHBondContact O-N 3.07Å; I294-C296 VanDerWaalsContact C-N 3.26Å; I294-C296 PolarHBondContact O-N 2.95Å; I294-R297 PolarHBondContact O-N 2.64Å; I294-Q302 PolarHBondContact O-NE2 2.66Å; I294-T328 HydrophobicContact CD1-CG2 3.86Å; I294-T328 HydrophobicContact CG1-CG2 3.93Å; I294-H331 HydrophobicContact CD1-CB 3.97Å; I294-H331 HydrophobicContact CG1-CB 4.08Å; I294-H331 HydrophobicContact CG2-CB 4.2Å; I294-I375 HydrophobicContact CD1-CD1 3.77Å; I294-I375 HydrophobicContact CD1-CG2 4.35Å |
| 295 | E | 94.2 | Very high | 94.8 | Very high | 115 Ų | 115 | 32.3 Ų | 32.3 | 54% | 0.537 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -65.2 | -27.1 | -175.6 | -74.9 | -169.1 | 150.6 | 0 | 0 | 113.6 | E291 R297 | E291-E295 HydrophobicContact CG-CG 4.25Å; E291-E295 WeakPolarHBondContact O-CB 3.28Å; E291-E295 VanDerWaalsContact O-CG 3.3Å; E291-E295 WeakPolarHBondContact O-CG 3.49Å; E291-E295 PolarHBondContact O-N 2.88Å; E295-R297 PolarHBondContact O-N 3.47Å |
| 296 | C | 92 | Very high | 94.9 | Very high | 24 Ų | 24 | 32.3 Ų | 32.3 | 16% | 0.162 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -21.6 | -176.7 | 82.8 | 0 | 0 | 0 | 0 | 113.7 | V238 Q292 I293 I294 D298 | V238-C296 HydrophobicContact CG2-CB 4.11Å; Q292-C296 WeakPolarHBondContact O-CB 3.37Å; Q292-C296 PolarHBondContact O-N 3.23Å; I293-C296 PolarHBondContact O-SG 3.44Å; I294-C296 VanDerWaalsContact C-N 3.26Å; I294-C296 PolarHBondContact O-N 2.95Å; C296-D298 PolarHBondContact O-N 3.43Å |
| 297 | R | 92 | Very high | 94.8 | Very high | 165 Ų | 165 | 34.1 Ų | 34.1 | 62% | 0.623 | 17% | 0.165 | S | C | * | . | trans | 48.3 | 32.8 | 178 | -58.7 | -178.8 | -178.5 | -163.1 | -2.4 | 114.4 | I294 E295 Q333 | I294-R297 PolarHBondContact O-N 2.64Å; E295-R297 PolarHBondContact O-N 3.47Å; R297-Q333 HydrophobicContact CB-CG 4.39Å | ||
| 298 | D | 93.6 | Very high | 94.8 | Very high | 5 Ų | 5 | 33.5 Ų | 33.5 | 3% | 0.027 | 16% | 0.161 | C | C | . | . | trans | -118.5 | 124.1 | -178.2 | 179.4 | 89.7 | 0 | 0 | 0 | 110.6 | V238 Q241 R256 C296 I300 A301 Q302 | V238-D298 HydrophobicContact CG1-CB 4.2Å; V238-D298 HydrophobicContact CG2-CB 3.93Å; Q241-D298 VanDerWaalsContact CD-OD1 3.32Å; Q241-D298 PolarHBondContact NE2-OD1 3.34Å; Q241-D298 PolarHBondContact OE1-OD1 3.14Å; R256-D298 IonicContact CZ-OD1 3.25Å; R256-D298 IonicContact CZ-OD2 3.11Å; R256-D298 IonicContact NH1-OD1 3.64Å; R256-D298 PolarHBondContact NH1-OD1 3.17Å; R256-D298 IonicContact NH1-OD2 3.93Å; R256-D298 IonicContact NH2-OD1 2.64Å; R256-D298 PolarHBondContact NH2-OD1 3.05Å; R256-D298 VanDerWaalsContact NH2-OD1 3.16Å; R256-D298 IonicContact NH2-OD2 3.96Å; R256-D298 PolarHBondContact NH2-OD2 3.34Å; C296-D298 PolarHBondContact O-N 3.43Å; D298-I300 PolarHBondContact O-N 3.22Å; D298-I300 PolarHBondContact OD2-N 3.04Å; D298-A301 HydrophobicContact CB-CB 4.03Å; D298-A301 PolarHBondContact O-N 2.96Å; D298-A301 VanDerWaalsContact OD2-CB 3.28Å; D298-A301 WeakPolarHBondContact OD2-CB 3.35Å; D298-A301 PolarHBondContact OD2-N 3.03Å; D298-Q302 VanDerWaalsContact O-CB 3.29Å; D298-Q302 WeakPolarHBondContact O-CB 3.47Å; D298-Q302 VanDerWaalsContact O-CG 3.22Å; D298-Q302 WeakPolarHBondContact O-CG 3.4Å; D298-Q302 PolarHBondContact O-N 3.19Å | ||
| 299 | V | 92.6 | Very high | 94.8 | Very high | 50 Ų | 50 | 31.5 Ų | 31.5 | 30% | 0.303 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -61.7 | -46.2 | -174 | 173.8 | 0 | 0 | 0 | 0 | 112.1 | Q302 E303 Q333 G335 V336 | V299-Q302 PolarHBondContact O-N 3.47Å; V299-E303 WeakPolarHBondContact O-CB 3.49Å; V299-E303 PolarHBondContact O-N 3.36Å; V299-Q333 HydrophobicContact CG2-CB 3.92Å; V299-G335 VanDerWaalsContact CG1-C 3.49Å; V299-G335 VanDerWaalsContact CG1-O 3.26Å; V299-G335 WeakPolarHBondContact CG1-O 3.29Å; V299-V336 HydrophobicContact CB-CG2 4.34Å; V299-V336 HydrophobicContact CG1-CG2 4.06Å; V299-V336 HydrophobicContact CG2-CG2 4.42Å |
| 300 | I | 92.6 | Very high | 94.7 | Very high | 24 Ų | 24 | 31.6 Ų | 31.6 | 12% | 0.123 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -65 | -44.6 | -177.7 | -63.4 | 173.9 | 0 | 0 | 0 | 110.3 | W237 E253 R257 D298 Y304 | W237-I300 HydrophobicContact CH2-CG2 4.26Å; W237-I300 HydrophobicContact CZ2-CG2 3.95Å; E253-I300 HydrophobicContact CB-CD1 3.89Å; E253-I300 HydrophobicContact CG-CD1 3.85Å; R257-I300 HydrophobicContact CG-CG2 4.13Å; D298-I300 PolarHBondContact O-N 3.22Å; D298-I300 PolarHBondContact OD2-N 3.04Å; I300-Y304 WeakPolarHBondContact O-CB 3.42Å; I300-Y304 PolarHBondContact O-N 3Å; I300-Y304 VanDerWaalsContact O-N 3.15Å |
| 301 | A | 94.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -66.7 | -44.7 | 179 | 0 | 0 | 0 | 0 | 0 | 111.7 | W237 V238 D298 L305 | W237-A301 HydrophobicContact CE3-CB 3.84Å; W237-A301 HydrophobicContact CH2-CB 4.06Å; W237-A301 VanDerWaalsContact CZ3-CA 3.4Å; W237-A301 HydrophobicContact CZ3-CB 3.43Å; W237-A301 VanDerWaalsContact CZ3-CB 3.43Å; V238-A301 HydrophobicContact CG2-CB 4.16Å; D298-A301 HydrophobicContact CB-CB 4.03Å; D298-A301 PolarHBondContact O-N 2.96Å; D298-A301 VanDerWaalsContact OD2-CB 3.28Å; D298-A301 WeakPolarHBondContact OD2-CB 3.35Å; D298-A301 PolarHBondContact OD2-N 3.03Å; A301-L305 HydrophobicContact CB-CD1 4.35Å; A301-L305 WeakPolarHBondContact O-CB 3.28Å; A301-L305 WeakPolarHBondContact O-CG 3.42Å; A301-L305 PolarHBondContact O-N 3.19Å |
| 302 | Q | 95.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -62.9 | -45.9 | 179.5 | -75.8 | -179.5 | -12.6 | 0 | 0 | 112.6 | I293 I294 D298 V299 M306 L332 Q333 V336 | I293-Q302 HydrophobicContact CG2-CB 4.33Å; I293-Q302 HydrophobicContact CG2-CG 3.92Å; I293-Q302 WeakPolarHBondContact O-CG 3.48Å; I293-Q302 PolarHBondContact O-NE2 3.19Å; I294-Q302 PolarHBondContact O-NE2 2.66Å; D298-Q302 VanDerWaalsContact O-CB 3.29Å; D298-Q302 WeakPolarHBondContact O-CB 3.47Å; D298-Q302 VanDerWaalsContact O-CG 3.22Å; D298-Q302 WeakPolarHBondContact O-CG 3.4Å; D298-Q302 PolarHBondContact O-N 3.19Å; V299-Q302 PolarHBondContact O-N 3.47Å; Q302-M306 WeakPolarHBondContact O-CB 3.43Å; Q302-M306 WeakPolarHBondContact O-CG 3.25Å; Q302-M306 PolarHBondContact O-N 3.47Å; Q302-M306 VanDerWaalsContact O-N 3.13Å; Q302-L332 HydrophobicContact CB-CD2 4.19Å; Q302-L332 HydrophobicContact CG-CD2 4.16Å; Q302-Q333 VanDerWaalsContact OE1-CB 3.3Å; Q302-Q333 VanDerWaalsContact OE1-CG 3.29Å; Q302-V336 HydrophobicContact CB-CG2 3.79Å |
| 303 | E | 94.5 | Very high | 94.6 | Very high | 63 Ų | 63 | 33 Ų | 33 | 29% | 0.294 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -61.1 | -50 | 178.3 | -171.1 | 177.6 | 145.2 | 0 | 0 | 111.3 | V299 D307 V336 | V299-E303 WeakPolarHBondContact O-CB 3.49Å; V299-E303 PolarHBondContact O-N 3.36Å; E303-D307 WeakPolarHBondContact O-CB 3.5Å; E303-D307 PolarHBondContact O-N 2.98Å; E303-V336 HydrophobicContact CB-CG1 4.13Å |
| 304 | Y | 95.2 | Very high | 94.4 | Very high | 27 Ų | 27 | 35.5 Ų | 35.5 | 11% | 0.106 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -67.4 | -45.4 | -178.5 | 171.4 | -111.1 | 0 | 0 | 0 | 112.9 | W237 R260 I261 I300 M306 D307 V308 | W237-Y304 AromaticContact CH2-CD1 3.66Å; W237-Y304 HydrophobicContact CH2-CD1 3.66Å; W237-Y304 HydrophobicContact CH2-CG 4.23Å; W237-Y304 HydrophobicContact CZ3-CD1 4.02Å; R260-Y304 HydrophobicContact CB-CD1 3.75Å; R260-Y304 HydrophobicContact CB-CD2 4.24Å; R260-Y304 HydrophobicContact CB-CE1 3.7Å; R260-Y304 HydrophobicContact CB-CE2 4.2Å; R260-Y304 HydrophobicContact CB-CG 4.01Å; R260-Y304 HydrophobicContact CG-CD1 4.27Å; R260-Y304 HydrophobicContact CG-CD2 3.89Å; R260-Y304 HydrophobicContact CG-CE1 4.06Å; R260-Y304 HydrophobicContact CG-CE2 3.65Å; R260-Y304 HydrophobicContact CG-CG 4.17Å; R260-Y304 WeakPolarHBondContact O-CE1 3.42Å; R260-Y304 PolarHBondContact O-OH 2.73Å; I261-Y304 WeakPolarHBondContact CA-OH 3.33Å; I300-Y304 WeakPolarHBondContact O-CB 3.42Å; I300-Y304 PolarHBondContact O-N 3Å; I300-Y304 VanDerWaalsContact O-N 3.15Å; Y304-M306 PolarHBondContact O-N 3.16Å; Y304-D307 PolarHBondContact O-N 3.27Å; Y304-V308 HydrophobicContact CD1-CG2 4.26Å; Y304-V308 HydrophobicContact CD2-CG2 3.9Å; Y304-V308 HydrophobicContact CE1-CG2 3.76Å; Y304-V308 HydrophobicContact CE2-CG2 3.35Å; Y304-V308 HydrophobicContact CG-CG2 4.33Å; Y304-V308 VanDerWaalsContact O-CG2 3.3Å; Y304-V308 WeakPolarHBondContact O-CG2 3.19Å; Y304-V308 PolarHBondContact O-N 3.13Å; Y304-V308 WeakPolarHBondContact OH-CG2 3.48Å |
| 305 | L | 96.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -70.3 | -34.6 | -174.7 | -67.5 | 174.4 | 0 | 0 | 0 | 112 | F230 W237 V263 L267 I293 A301 V308 V309 | F230-L305 HydrophobicContact CE2-CD1 4.14Å; F230-L305 HydrophobicContact CE2-CD2 3.74Å; F230-L305 HydrophobicContact CZ-CD1 3.97Å; F230-L305 HydrophobicContact CZ-CD2 4.22Å; W237-L305 HydrophobicContact CZ3-CD1 4.46Å; W237-L305 HydrophobicContact CZ3-CG 4.33Å; V263-L305 HydrophobicContact CG1-CD2 4.07Å; L267-L305 HydrophobicContact CD1-CD2 4.37Å; I293-L305 HydrophobicContact CD1-CB 3.71Å; I293-L305 HydrophobicContact CG1-CB 3.76Å; I293-L305 HydrophobicContact CG1-CD1 4.04Å; A301-L305 HydrophobicContact CB-CD1 4.35Å; A301-L305 WeakPolarHBondContact O-CB 3.28Å; A301-L305 WeakPolarHBondContact O-CG 3.42Å; A301-L305 PolarHBondContact O-N 3.19Å; L305-V308 PolarHBondContact O-N 3.31Å; L305-V309 WeakPolarHBondContact O-CG2 3.36Å; L305-V309 PolarHBondContact O-N 3.22Å |
| 306 | M | 95.9 | Very high | 94 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -63.2 | -44.7 | 171.6 | -72.9 | -64.8 | -63.5 | 0 | 0 | 111.6 | L290 I293 Q302 Y304 V308 V309 I310 L325 T328 L332 I341 | L290-M306 HydrophobicContact CD2-SD 3.95Å; I293-M306 HydrophobicContact CD1-SD 4.12Å; I293-M306 HydrophobicContact CG2-CG 4.11Å; I293-M306 HydrophobicContact CG2-SD 4.18Å; Q302-M306 WeakPolarHBondContact O-CB 3.43Å; Q302-M306 WeakPolarHBondContact O-CG 3.25Å; Q302-M306 PolarHBondContact O-N 3.47Å; Q302-M306 VanDerWaalsContact O-N 3.13Å; Y304-M306 PolarHBondContact O-N 3.16Å; M306-V308 PolarHBondContact O-N 2.81Å; M306-V309 PolarHBondContact O-N 3.48Å; M306-I310 WeakPolarHBondContact O-CG1 3.48Å; M306-I310 PolarHBondContact O-N 2.91Å; M306-L325 HydrophobicContact CE-CD1 3.62Å; M306-L325 HydrophobicContact CE-CG 4.24Å; M306-L325 HydrophobicContact SD-CD1 4.45Å; M306-T328 HydrophobicContact SD-CG2 4.22Å; M306-L332 HydrophobicContact CG-CD1 4.02Å; M306-L332 HydrophobicContact CG-CD2 4.43Å; M306-I341 HydrophobicContact CB-CD1 3.78Å; M306-I341 HydrophobicContact CB-CG1 4.11Å; M306-I341 HydrophobicContact CB-CG2 4.04Å; M306-I341 HydrophobicContact CE-CG2 4.11Å; M306-I341 HydrophobicContact CG-CD1 4.28Å |
| 307 | D | 94.5 | Very high | 94.1 | Very high | 39 Ų | 39 | 36.6 Ų | 36.6 | 21% | 0.209 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -61.1 | -42.9 | 175.3 | -179.8 | 46.3 | 0 | 0 | 0 | 111.8 | E303 Y304 I310 Q311 | E303-D307 WeakPolarHBondContact O-CB 3.5Å; E303-D307 PolarHBondContact O-N 2.98Å; Y304-D307 PolarHBondContact O-N 3.27Å; D307-I310 PolarHBondContact O-N 3.5Å; D307-Q311 VanDerWaalsContact O-CG 3.31Å; D307-Q311 WeakPolarHBondContact O-CG 3.43Å; D307-Q311 PolarHBondContact O-N 3.08Å; D307-Q311 PolarHBondContact OD1-NE2 3.44Å; D307-Q311 PolarHBondContact OD2-NE2 3.26Å |
| 308 | V | 95.5 | Very high | 94.1 | Very high | 10 Ų | 10 | 28.7 Ų | 28.7 | 6% | 0.061 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -60.7 | -48.5 | 174.5 | 173.8 | 0 | 0 | 0 | 0 | 111 | L267 Y304 L305 M306 I310 Q311 V312 | L267-V308 HydrophobicContact CB-CG1 3.88Å; L267-V308 HydrophobicContact CD1-CB 4.32Å; L267-V308 HydrophobicContact CD1-CG1 3.77Å; L267-V308 HydrophobicContact CG-CG1 4.35Å; Y304-V308 HydrophobicContact CD1-CG2 4.26Å; Y304-V308 HydrophobicContact CD2-CG2 3.9Å; Y304-V308 HydrophobicContact CE1-CG2 3.76Å; Y304-V308 HydrophobicContact CE2-CG2 3.35Å; Y304-V308 HydrophobicContact CG-CG2 4.33Å; Y304-V308 VanDerWaalsContact O-CG2 3.3Å; Y304-V308 WeakPolarHBondContact O-CG2 3.19Å; Y304-V308 PolarHBondContact O-N 3.13Å; Y304-V308 WeakPolarHBondContact OH-CG2 3.48Å; L305-V308 PolarHBondContact O-N 3.31Å; M306-V308 PolarHBondContact O-N 2.81Å; V308-I310 PolarHBondContact O-N 2.77Å; V308-Q311 PolarHBondContact O-N 3.27Å; V308-V312 HydrophobicContact CG1-CG2 3.43Å; V308-V312 VanDerWaalsContact CG1-CG2 3.43Å; V308-V312 WeakPolarHBondContact O-CG2 3.2Å; V308-V312 PolarHBondContact O-N 3.38Å |
| 309 | V | 96.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -52.7 | -46.5 | 176.6 | 169.1 | 0 | 0 | 0 | 0 | 110.3 | L267 L286 I289 I293 L305 M306 Q311 F313 H318 L325 | L267-V309 HydrophobicContact CD1-CG2 3.96Å; L286-V309 HydrophobicContact CD1-CG1 3.99Å; I289-V309 HydrophobicContact CG2-CG2 3.8Å; I293-V309 HydrophobicContact CD1-CG2 4.3Å; L305-V309 WeakPolarHBondContact O-CG2 3.36Å; L305-V309 PolarHBondContact O-N 3.22Å; M306-V309 PolarHBondContact O-N 3.48Å; V309-Q311 VanDerWaalsContact C-N 3.3Å; V309-Q311 PolarHBondContact O-N 2.9Å; V309-F313 HydrophobicContact CG1-CD2 4.22Å; V309-F313 WeakPolarHBondContact O-CD2 3.44Å; V309-H318 PolarHBondContact O-CE1 2.92Å; V309-H318 PolarHBondContact O-NE2 3.38Å; V309-L325 HydrophobicContact CG1-CD1 3.99Å |
| 310 | I | 94.9 | Very high | 93.7 | Very high | 2 Ų | 2 | 28.3 Ų | 28.3 | 1% | 0.01 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -63 | -34.5 | 177.8 | -66.1 | 162.7 | 0 | 0 | 0 | 111.9 | M306 D307 V308 H318 L325 I341 L345 R348 | M306-I310 WeakPolarHBondContact O-CG1 3.48Å; M306-I310 PolarHBondContact O-N 2.91Å; D307-I310 PolarHBondContact O-N 3.5Å; V308-I310 PolarHBondContact O-N 2.77Å; I310-H318 PolarHBondContact O-NE2 3.23Å; I310-L325 HydrophobicContact CG1-CD2 4.07Å; I310-I341 HydrophobicContact CD1-CB 4.37Å; I310-I341 HydrophobicContact CD1-CG2 3.57Å; I310-I341 VanDerWaalsContact CD1-O 3.23Å; I310-I341 WeakPolarHBondContact CD1-O 3.25Å; I310-L345 HydrophobicContact CD1-CB 4.02Å; I310-L345 HydrophobicContact CG1-CB 4.33Å; I310-L345 HydrophobicContact CG1-CD1 4.35Å; I310-L345 HydrophobicContact CG2-CB 4.25Å; I310-L345 HydrophobicContact CG2-CD1 4.33Å; I310-R348 PolarHBondContact O-NH1 3.27Å |
| 311 | Q | 94.8 | Very high | 93.6 | Very high | 116 Ų | 116 | 27.3 Ų | 27.3 | 54% | 0.542 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -83 | -40.7 | -175.7 | -73 | 175.5 | 23.7 | 0 | 0 | 114.8 | D307 V308 V309 R348 | D307-Q311 VanDerWaalsContact O-CG 3.31Å; D307-Q311 WeakPolarHBondContact O-CG 3.43Å; D307-Q311 PolarHBondContact O-N 3.08Å; D307-Q311 PolarHBondContact OD1-NE2 3.44Å; D307-Q311 PolarHBondContact OD2-NE2 3.26Å; V308-Q311 PolarHBondContact O-N 3.27Å; V309-Q311 VanDerWaalsContact C-N 3.3Å; V309-Q311 PolarHBondContact O-N 2.9Å; Q311-R348 PolarHBondContact O-NH1 3.34Å |
| 312 | V | 94.6 | Very high | 93.4 | Very high | 37 Ų | 37 | 27.4 Ų | 27.4 | 22% | 0.224 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -90.4 | -28.8 | -169.9 | -105 | 0 | 0 | 0 | 0 | 115.2 | L267 N268 S271 V308 | L267-V312 HydrophobicContact CB-CG2 4.28Å; N268-V312 HydrophobicContact CB-CG1 3.69Å; N268-V312 WeakPolarHBondContact OD1-CG1 3.27Å; S271-V312 VanDerWaalsContact CB-O 3.28Å; S271-V312 WeakPolarHBondContact CB-O 3.46Å; S271-V312 PolarHBondContact OG-O 2.96Å; V308-V312 HydrophobicContact CG1-CG2 3.43Å; V308-V312 VanDerWaalsContact CG1-CG2 3.43Å; V308-V312 WeakPolarHBondContact O-CG2 3.2Å; V308-V312 PolarHBondContact O-N 3.38Å |
| 313 | F | 95.6 | Very high | 93.2 | Very high | 1 Ų | 1 | 28.2 Ų | 28.2 | 0% | 0.004 | 15% | 0.147 | C | C | . | . | S | Bend | trans | -83.5 | 149.8 | 179.5 | -67.5 | -72.4 | 0 | 0 | 0 | 112.3 | L270 Y281 V285 I289 V309 F317 H318 R348 | L270-F313 HydrophobicContact CB-CZ 4.42Å; L270-F313 HydrophobicContact CD2-CZ 4.23Å; L270-F313 HydrophobicContact CG-CZ 4.46Å; Y281-F313 AromaticContact CD2-CD1 3.95Å; Y281-F313 HydrophobicContact CD2-CD1 3.95Å; Y281-F313 HydrophobicContact CD2-CE1 4.07Å; Y281-F313 HydrophobicContact CD2-CG 4.42Å; Y281-F313 HydrophobicContact CE2-CB 4.19Å; Y281-F313 AromaticContact CE2-CD1 3.48Å; Y281-F313 HydrophobicContact CE2-CD1 3.48Å; Y281-F313 VanDerWaalsContact CE2-CD1 3.48Å; Y281-F313 AromaticContact CE2-CD2 3.81Å; Y281-F313 HydrophobicContact CE2-CD2 3.81Å; Y281-F313 AromaticContact CE2-CE1 3.71Å; Y281-F313 HydrophobicContact CE2-CE1 3.71Å; Y281-F313 HydrophobicContact CE2-CE2 4.02Å; Y281-F313 AromaticContact CE2-CG 3.54Å; Y281-F313 HydrophobicContact CE2-CG 3.54Å; Y281-F313 AromaticContact CE2-CZ 3.98Å; Y281-F313 HydrophobicContact CE2-CZ 3.98Å; Y281-F313 AromaticContact CZ-CG 3.98Å; V285-F313 HydrophobicContact CG1-CE1 4.27Å; V285-F313 HydrophobicContact CG1-CZ 4.1Å; I289-F313 HydrophobicContact CD1-CE2 4.26Å; I289-F313 HydrophobicContact CD1-CZ 4.18Å; V309-F313 HydrophobicContact CG1-CD2 4.22Å; V309-F313 WeakPolarHBondContact O-CD2 3.44Å; F313-F317 HydrophobicContact CD1-CD2 4.38Å; F313-H318 PolarHBondContact O-NE2 3.27Å; F313-H318 VanDerWaalsContact O-NE2 3.11Å; F313-R348 VanDerWaalsContact O-CZ 3.26Å; F313-R348 PolarHBondContact O-NH1 3.14Å; F313-R348 PolarHBondContact O-NH2 3.41Å |
| 314 | P | 92.7 | Very high | 93 | Very high | 51 Ų | 51 | 26.5 Ų | 26.5 | 33% | 0.331 | 14% | 0.14 | S | C | . | . | trans | -61.5 | 159.1 | 177.9 | -23.4 | 33.6 | 0 | 0 | 0 | 114.6 | E316 F317 H318 | P314-E316 PolarHBondContact O-N 3.18Å; P314-F317 HydrophobicContact CB-CD1 4.39Å; P314-F317 HydrophobicContact CB-CG 4.38Å; P314-F317 HydrophobicContact CG-CD2 4.22Å; P314-F317 HydrophobicContact CG-CE1 4.5Å; P314-F317 HydrophobicContact CG-CE2 4.19Å; P314-F317 HydrophobicContact CG-CG 4.38Å; P314-F317 HydrophobicContact CG-CZ 4.31Å; P314-F317 WeakPolarHBondContact O-CB 3.41Å; P314-F317 PolarHBondContact O-N 3.49Å; P314-H318 PolarHBondContact O-CD2 2.91Å; P314-H318 PolarHBondContact O-N 3.34Å | ||
| 315 | D | 92 | Very high | 92.9 | Very high | 34 Ų | 34 | 25.3 Ų | 25.3 | 18% | 0.182 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -64.8 | -39.1 | -178.4 | -60.6 | -24.8 | 0 | 0 | 0 | 112.6 | F317 H318 L319 R348 L349 H352 | D315-F317 PolarHBondContact O-N 2.99Å; D315-H318 WeakPolarHBondContact O-CB 3.19Å; D315-H318 PolarHBondContact O-N 2.78Å; D315-H318 VanDerWaalsContact O-N 3.14Å; D315-L319 WeakPolarHBondContact O-CG 3.34Å; D315-L319 PolarHBondContact O-N 3.49Å; D315-R348 IonicContact OD1-CZ 3.45Å; D315-R348 IonicContact OD1-NE 3.16Å; D315-R348 PolarHBondContact OD1-NE 3.16Å; D315-R348 IonicContact OD1-NH2 2.84Å; D315-R348 PolarHBondContact OD1-NH2 3.35Å; D315-L349 HydrophobicContact CB-CD2 4.1Å; D315-H352 HydrophobicContact CB-CB 4.26Å; D315-H352 WeakPolarHBondContact CB-ND1 3.25Å; D315-H352 IonicContact OD2-CE1 3.74Å; D315-H352 IonicContact OD2-CG 3.24Å; D315-H352 IonicContact OD2-ND1 3.45Å; D315-H352 PolarHBondContact OD2-ND1 3.06Å |
| 316 | E | 88.3 | Confident | 92.8 | Very high | 123 Ų | 123 | 25.3 Ų | 25.3 | 58% | 0.575 | 14% | 0.135 | S | C | * | . | H | α-helix | trans | -56.4 | -37.5 | 176.9 | -64 | 163.7 | -170.1 | 0 | 0 | 111.8 | P314 L319 A320 | P314-E316 PolarHBondContact O-N 3.18Å; E316-L319 PolarHBondContact O-N 3.19Å; E316-A320 PolarHBondContact O-N 3.11Å; E316-A320 VanDerWaalsContact O-N 3.13Å |
| 317 | F | 92.7 | Very high | 92.6 | Very high | 21 Ų | 21 | 30.9 Ų | 30.9 | 9% | 0.092 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -73.7 | -39.9 | -178.8 | -70.5 | 17.3 | 0 | 0 | 0 | 110.3 | I276 V278 Y281 F313 P314 D315 A320 T321 | I276-F317 HydrophobicContact CG2-CE2 4.12Å; I276-F317 VanDerWaalsContact O-CZ 3.23Å; I276-F317 WeakPolarHBondContact O-CZ 3.46Å; V278-F317 HydrophobicContact CB-CD1 4.46Å; V278-F317 HydrophobicContact CG2-CD1 3.74Å; V278-F317 HydrophobicContact CG2-CE1 3.7Å; Y281-F317 HydrophobicContact CD1-CB 3.6Å; Y281-F317 AromaticContact CD1-CD2 3.96Å; Y281-F317 HydrophobicContact CD1-CD2 3.96Å; Y281-F317 AromaticContact CD1-CG 4Å; Y281-F317 HydrophobicContact CD1-CG 4Å; Y281-F317 AromaticContact CD2-CD2 3.75Å; Y281-F317 HydrophobicContact CD2-CD2 3.75Å; Y281-F317 HydrophobicContact CD2-CE2 4.42Å; Y281-F317 HydrophobicContact CE1-CB 3.65Å; Y281-F317 HydrophobicContact CE1-CD2 4.46Å; Y281-F317 HydrophobicContact CE1-CG 4.45Å; Y281-F317 HydrophobicContact CE2-CD2 4.3Å; Y281-F317 HydrophobicContact CG-CB 4.12Å; Y281-F317 AromaticContact CG-CD2 3.54Å; Y281-F317 HydrophobicContact CG-CD2 3.54Å; Y281-F317 HydrophobicContact CG-CE2 4.28Å; Y281-F317 HydrophobicContact CG-CG 4.04Å; F313-F317 HydrophobicContact CD1-CD2 4.38Å; P314-F317 HydrophobicContact CB-CD1 4.39Å; P314-F317 HydrophobicContact CB-CG 4.38Å; P314-F317 HydrophobicContact CG-CD2 4.22Å; P314-F317 HydrophobicContact CG-CE1 4.5Å; P314-F317 HydrophobicContact CG-CE2 4.19Å; P314-F317 HydrophobicContact CG-CG 4.38Å; P314-F317 HydrophobicContact CG-CZ 4.31Å; P314-F317 WeakPolarHBondContact O-CB 3.41Å; P314-F317 PolarHBondContact O-N 3.49Å; D315-F317 PolarHBondContact O-N 2.99Å; F317-A320 PolarHBondContact O-N 3.18Å; F317-T321 WeakPolarHBondContact O-CB 3.32Å; F317-T321 PolarHBondContact O-N 3.01Å; F317-T321 VanDerWaalsContact O-N 3.15Å; F317-T321 PolarHBondContact O-OG1 3.43Å |
| 318 | H | 93 | Very high | 92.5 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -63.2 | -44 | 173.5 | -68.2 | -47.6 | 0 | 0 | 0 | 111.4 | V309 I310 F313 P314 D315 A320 T321 L322 L345 L349 | V309-H318 PolarHBondContact O-CE1 2.92Å; V309-H318 PolarHBondContact O-NE2 3.38Å; I310-H318 PolarHBondContact O-NE2 3.23Å; F313-H318 PolarHBondContact O-NE2 3.27Å; F313-H318 VanDerWaalsContact O-NE2 3.11Å; P314-H318 PolarHBondContact O-CD2 2.91Å; P314-H318 PolarHBondContact O-N 3.34Å; D315-H318 WeakPolarHBondContact O-CB 3.19Å; D315-H318 PolarHBondContact O-N 2.78Å; D315-H318 VanDerWaalsContact O-N 3.14Å; H318-A320 VanDerWaalsContact C-N 3.34Å; H318-A320 PolarHBondContact O-N 3.2Å; H318-T321 CarbonylContact O-C 3.59Å; H318-T321 PolarHBondContact O-N 3.27Å; H318-L322 VanDerWaalsContact O-CA 3.28Å; H318-L322 WeakPolarHBondContact O-CA 3.46Å; H318-L322 VanDerWaalsContact O-CB 3.3Å; H318-L322 WeakPolarHBondContact O-CB 3.42Å; H318-L322 PolarHBondContact O-N 2.93Å; H318-L345 HydrophobicContact CB-CD1 4.3Å; H318-L349 HydrophobicContact CB-CD1 4.34Å; H318-L349 HydrophobicContact CB-CD2 4.22Å |
| 319 | L | 89 | Confident | 92.4 | Very high | 20 Ų | 20 | 28.7 Ų | 28.7 | 11% | 0.105 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -59.9 | -43 | 177.2 | -71.6 | 172.4 | 0 | 0 | 0 | 112.1 | D315 E316 T321 L349 I365 L464 | D315-L319 WeakPolarHBondContact O-CG 3.34Å; D315-L319 PolarHBondContact O-N 3.49Å; E316-L319 PolarHBondContact O-N 3.19Å; L319-T321 VanDerWaalsContact C-N 3.29Å; L319-T321 PolarHBondContact O-N 3.4Å; L319-L349 HydrophobicContact CD2-CD1 4.18Å; L319-L349 HydrophobicContact CD2-CD2 4.03Å; L319-L349 HydrophobicContact CG-CD2 3.99Å; L319-I365 HydrophobicContact CD2-CD1 4.48Å; L319-L464 HydrophobicContact CD2-CD1 3.96Å; L319-L464 HydrophobicContact CD2-CD2 4.46Å |
| 320 | A | 87.7 | Confident | 92.1 | Very high | 26 Ų | 26 | 31.3 Ų | 31.3 | 22% | 0.215 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -70.6 | -22.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | V278 E316 F317 H318 | V278-A320 HydrophobicContact CG1-CB 3.37Å; E316-A320 PolarHBondContact O-N 3.11Å; E316-A320 VanDerWaalsContact O-N 3.13Å; F317-A320 PolarHBondContact O-N 3.18Å; H318-A320 VanDerWaalsContact C-N 3.34Å; H318-A320 PolarHBondContact O-N 3.2Å |
| 321 | T | 91.2 | Very high | 92 | Very high | 4 Ų | 4 | 34.9 Ų | 34.9 | 3% | 0.025 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -118.4 | 8.5 | -175.1 | 61.3 | 0 | 0 | 0 | 0 | 113.9 | Y281 K282 L286 F317 H318 L319 P323 L324 L325 | Y281-T321 HydrophobicContact CD1-CG2 3.76Å; Y281-T321 HydrophobicContact CE1-CG2 3.72Å; Y281-T321 WeakPolarHBondContact CE1-OG1 3.4Å; K282-T321 HydrophobicContact CB-CG2 3.91Å; K282-T321 HydrophobicContact CG-CG2 4.1Å; L286-T321 HydrophobicContact CD2-CG2 3.73Å; L286-T321 WeakPolarHBondContact CD2-OG1 3.15Å; F317-T321 WeakPolarHBondContact O-CB 3.32Å; F317-T321 PolarHBondContact O-N 3.01Å; F317-T321 VanDerWaalsContact O-N 3.15Å; F317-T321 PolarHBondContact O-OG1 3.43Å; H318-T321 CarbonylContact O-C 3.59Å; H318-T321 PolarHBondContact O-N 3.27Å; L319-T321 VanDerWaalsContact C-N 3.29Å; L319-T321 PolarHBondContact O-N 3.4Å; T321-P323 VanDerWaalsContact C-CD 3.47Å; T321-L324 WeakPolarHBondContact O-CB 3.07Å; T321-L324 PolarHBondContact O-N 3Å; T321-L325 PolarHBondContact O-N 2.62Å; T321-L325 VanDerWaalsContact O-N 3.08Å |
| 322 | L | 91.3 | Very high | 91.9 | Very high | 1 Ų | 1 | 29.7 Ų | 29.7 | 1% | 0.005 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -52.3 | -46 | -172.7 | -177.1 | 57.6 | 0 | 0 | 0 | 114.2 | H318 L324 L325 L326 L345 L349 L464 L467 F468 | H318-L322 VanDerWaalsContact O-CA 3.28Å; H318-L322 WeakPolarHBondContact O-CA 3.46Å; H318-L322 VanDerWaalsContact O-CB 3.3Å; H318-L322 WeakPolarHBondContact O-CB 3.42Å; H318-L322 PolarHBondContact O-N 2.93Å; L322-L324 VanDerWaalsContact C-N 3.29Å; L322-L324 PolarHBondContact O-N 2.97Å; L322-L325 PolarHBondContact O-N 2.87Å; L322-L326 HydrophobicContact CD1-CD1 3.73Å; L322-L326 HydrophobicContact CD1-CG 3.97Å; L322-L326 HydrophobicContact CG-CD1 3.96Å; L322-L326 PolarHBondContact O-N 3.44Å; L322-L345 HydrophobicContact CD1-CD2 3.7Å; L322-L345 HydrophobicContact CD1-CG 4.27Å; L322-L349 HydrophobicContact CD1-CD1 4.23Å; L322-L349 HydrophobicContact CD2-CD1 4.45Å; L322-L464 HydrophobicContact CD2-CD1 3.77Å; L322-L467 HydrophobicContact CB-CD2 4.23Å; L322-L467 HydrophobicContact CD2-CD2 3.64Å; L322-L467 HydrophobicContact CD2-CG 4.44Å; L322-L467 HydrophobicContact CG-CD2 4Å; L322-F468 HydrophobicContact CD1-CD1 4.38Å; L322-F468 HydrophobicContact CD1-CE1 3.61Å; L322-F468 HydrophobicContact CD1-CZ 3.98Å; L322-F468 HydrophobicContact CD2-CD1 4.2Å; L322-F468 HydrophobicContact CD2-CD2 4.34Å; L322-F468 HydrophobicContact CD2-CE1 3.8Å; L322-F468 HydrophobicContact CD2-CE2 3.97Å; L322-F468 HydrophobicContact CD2-CG 4.46Å; L322-F468 HydrophobicContact CD2-CZ 3.69Å; L322-F468 HydrophobicContact CG-CE1 4.24Å; L322-F468 HydrophobicContact CG-CZ 4.49Å |
| 323 | P | 90 | Very high | 91.8 | Very high | 17 Ų | 17 | 31.1 Ų | 31.1 | 11% | 0.11 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -62.7 | -36.3 | 178 | -19.1 | 31.3 | 0 | 0 | 0 | 112.6 | T321 R327 V367 L467 | T321-P323 VanDerWaalsContact C-CD 3.47Å; P323-R327 VanDerWaalsContact O-CB 3.25Å; P323-R327 WeakPolarHBondContact O-CB 3.35Å; P323-R327 WeakPolarHBondContact O-CD 3.49Å; P323-R327 WeakPolarHBondContact O-CG 3.47Å; P323-R327 PolarHBondContact O-N 2.93Å; P323-V367 HydrophobicContact CG-CG1 4.03Å; P323-L467 HydrophobicContact CG-CD1 4.18Å; P323-L467 HydrophobicContact CG-CD2 4.19Å |
| 324 | L | 91.4 | Very high | 91.4 | Very high | 28 Ų | 28 | 33.7 Ų | 33.7 | 15% | 0.147 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -68.6 | -42.8 | 179.4 | 177.9 | 61.6 | 0 | 0 | 0 | 110.9 | L286 P287 L290 T321 L322 T328 Y372 | L286-L324 HydrophobicContact CD2-CD2 3.97Å; L286-L324 HydrophobicContact CG-CD2 4.29Å; P287-L324 HydrophobicContact CG-CD2 4.39Å; L290-L324 HydrophobicContact CD1-CD1 4.23Å; L290-L324 HydrophobicContact CD1-CD2 3.97Å; L290-L324 HydrophobicContact CD1-CG 3.64Å; T321-L324 WeakPolarHBondContact O-CB 3.07Å; T321-L324 PolarHBondContact O-N 3Å; L322-L324 VanDerWaalsContact C-N 3.29Å; L322-L324 PolarHBondContact O-N 2.97Å; L324-T328 WeakPolarHBondContact O-CB 3.49Å; L324-T328 PolarHBondContact O-N 3.37Å; L324-T328 VanDerWaalsContact O-N 3.12Å; L324-T328 PolarHBondContact O-OG1 3.45Å; L324-Y372 HydrophobicContact CD1-CD2 4.3Å; L324-Y372 HydrophobicContact CD2-CD2 4.2Å; L324-Y372 HydrophobicContact CD2-CE2 4.18Å |
| 325 | L | 93.3 | Very high | 91.1 | Very high | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.005 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -65.2 | -46.9 | 179.4 | -169.3 | 65 | 0 | 0 | 0 | 111.5 | L290 M306 V309 I310 T321 L322 T328 L345 | L290-L325 HydrophobicContact CD2-CD1 4.09Å; M306-L325 HydrophobicContact CE-CD1 3.62Å; M306-L325 HydrophobicContact CE-CG 4.24Å; M306-L325 HydrophobicContact SD-CD1 4.45Å; V309-L325 HydrophobicContact CG1-CD1 3.99Å; I310-L325 HydrophobicContact CG1-CD2 4.07Å; T321-L325 PolarHBondContact O-N 2.62Å; T321-L325 VanDerWaalsContact O-N 3.08Å; L322-L325 PolarHBondContact O-N 2.87Å; L325-T328 WeakPolarHBondContact O-CB 2.97Å; L325-T328 PolarHBondContact O-N 3.06Å; L325-L345 HydrophobicContact CD2-CD1 3.96Å; L325-L345 HydrophobicContact CD2-CD2 3.65Å; L325-L345 HydrophobicContact CD2-CG 4.44Å; L325-L345 HydrophobicContact CG-CD2 4.33Å |
| 326 | L | 93.5 | Very high | 91.1 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -68.3 | -41.3 | 179.6 | -69.8 | 173.3 | 0 | 0 | 0 | 112.8 | L322 T328 C329 L345 F468 E471 I475 | L322-L326 HydrophobicContact CD1-CD1 3.73Å; L322-L326 HydrophobicContact CD1-CG 3.97Å; L322-L326 HydrophobicContact CG-CD1 3.96Å; L322-L326 PolarHBondContact O-N 3.44Å; L326-T328 PolarHBondContact O-N 3.43Å; L326-C329 WeakPolarHBondContact O-CB 3.32Å; L326-C329 PolarHBondContact O-N 3.14Å; L326-L345 HydrophobicContact CD2-CD2 3.92Å; L326-L345 HydrophobicContact CG-CD2 4.31Å; L326-F468 HydrophobicContact CD1-CD1 3.83Å; L326-F468 HydrophobicContact CD1-CE1 4.15Å; L326-E471 HydrophobicContact CB-CB 3.89Å; L326-E471 HydrophobicContact CB-CG 4.27Å; L326-E471 HydrophobicContact CD1-CB 3.54Å; L326-E471 HydrophobicContact CD1-CG 4.02Å; L326-E471 HydrophobicContact CG-CB 4.31Å; L326-I475 HydrophobicContact CB-CD1 4.44Å; L326-I475 HydrophobicContact CD2-CD1 4.17Å |
| 327 | R | 92.3 | Very high | 91.2 | Very high | 117 Ų | 117 | 31.3 Ų | 31.3 | 44% | 0.442 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -65.3 | -26.7 | 175.7 | -71.4 | 173.3 | -169.6 | 175.2 | 4.8 | 112.8 | P323 C329 N330 H331 E471 | P323-R327 VanDerWaalsContact O-CB 3.25Å; P323-R327 WeakPolarHBondContact O-CB 3.35Å; P323-R327 WeakPolarHBondContact O-CD 3.49Å; P323-R327 WeakPolarHBondContact O-CG 3.47Å; P323-R327 PolarHBondContact O-N 2.93Å; R327-C329 PolarHBondContact O-N 3.48Å; R327-N330 WeakPolarHBondContact O-CB 3.41Å; R327-N330 PolarHBondContact O-N 3.33Å; R327-H331 PolarHBondContact O-CE1 3.5Å; R327-H331 PolarHBondContact O-ND1 3.23Å; R327-E471 WeakPolarHBondContact CG-OE2 3.3Å; R327-E471 IonicContact CZ-OE1 3.98Å; R327-E471 IonicContact NE-OE1 3.53Å; R327-E471 PolarHBondContact NE-OE1 3.45Å; R327-E471 IonicContact NE-OE2 3.61Å; R327-E471 IonicContact NH2-OE1 2.78Å; R327-E471 PolarHBondContact NH2-OE1 3.05Å |
| 328 | T | 93.3 | Very high | 91.2 | Very high | 2 Ų | 2 | 30.3 Ų | 30.3 | 1% | 0.012 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -64.7 | -32.2 | 174.3 | -61.8 | 0 | 0 | 0 | 0 | 111.5 | L290 I294 M306 L324 L325 L326 N330 H331 L332 | L290-T328 HydrophobicContact CB-CG2 4.32Å; L290-T328 HydrophobicContact CD2-CG2 3.95Å; I294-T328 HydrophobicContact CD1-CG2 3.86Å; I294-T328 HydrophobicContact CG1-CG2 3.93Å; M306-T328 HydrophobicContact SD-CG2 4.22Å; L324-T328 WeakPolarHBondContact O-CB 3.49Å; L324-T328 PolarHBondContact O-N 3.37Å; L324-T328 VanDerWaalsContact O-N 3.12Å; L324-T328 PolarHBondContact O-OG1 3.45Å; L325-T328 WeakPolarHBondContact O-CB 2.97Å; L325-T328 PolarHBondContact O-N 3.06Å; L326-T328 PolarHBondContact O-N 3.43Å; T328-N330 PolarHBondContact O-N 3.31Å; T328-N330 VanDerWaalsContact O-N 3.13Å; T328-H331 PolarHBondContact O-N 3.13Å; T328-L332 HydrophobicContact CG2-CD2 4.39Å; T328-L332 PolarHBondContact O-N 2.76Å |
| 329 | C | 92.4 | Very high | 91.1 | Very high | 2 Ų | 2 | 33 Ų | 33 | 1% | 0.014 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -55.3 | -32.3 | 175.2 | -61.6 | 0 | 0 | 0 | 0 | 113 | L326 R327 H331 L332 L338 I475 | L326-C329 WeakPolarHBondContact O-CB 3.32Å; L326-C329 PolarHBondContact O-N 3.14Å; R327-C329 PolarHBondContact O-N 3.48Å; C329-H331 VanDerWaalsContact C-N 3.27Å; C329-H331 PolarHBondContact O-N 3.29Å; C329-L332 PolarHBondContact O-N 3.05Å; C329-L338 HydrophobicContact CB-CD2 4.21Å; C329-I475 HydrophobicContact CB-CD1 3.95Å; C329-I475 HydrophobicContact CB-CG1 4.23Å |
| 330 | N | 90.7 | Very high | 91.1 | Very high | 55 Ų | 55 | 34.8 Ų | 34.8 | 29% | 0.294 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -20.1 | 177.5 | -66.4 | -30.3 | 0 | 0 | 0 | 113.9 | R327 T328 I475 | R327-N330 WeakPolarHBondContact O-CB 3.41Å; R327-N330 PolarHBondContact O-N 3.33Å; T328-N330 PolarHBondContact O-N 3.31Å; T328-N330 VanDerWaalsContact O-N 3.13Å; N330-I475 WeakPolarHBondContact OD1-CA 3.4Å; N330-I475 WeakPolarHBondContact OD1-CG1 3.41Å |
| 331 | H | 91.8 | Very high | 91.4 | Very high | 77 Ų | 77 | 33.7 Ų | 33.7 | 36% | 0.356 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.8 | -3.1 | -179 | -59 | 86.7 | 0 | 0 | 0 | 112.7 | I294 R327 T328 C329 | I294-H331 HydrophobicContact CD1-CB 3.97Å; I294-H331 HydrophobicContact CG1-CB 4.08Å; I294-H331 HydrophobicContact CG2-CB 4.2Å; R327-H331 PolarHBondContact O-CE1 3.5Å; R327-H331 PolarHBondContact O-ND1 3.23Å; T328-H331 PolarHBondContact O-N 3.13Å; C329-H331 VanDerWaalsContact C-N 3.27Å; C329-H331 PolarHBondContact O-N 3.29Å |
| 332 | L | 93.7 | Very high | 91.5 | Very high | 6 Ų | 6 | 33.5 Ų | 33.5 | 3% | 0.031 | 17% | 0.172 | C | C | . | . | S | Bend | trans | -74.2 | 153.9 | 179.2 | -57.9 | -178.7 | 0 | 0 | 0 | 111.4 | I293 Q302 M306 T328 C329 V336 L338 I341 R479 | I293-L332 HydrophobicContact CG2-CD2 3.95Å; Q302-L332 HydrophobicContact CB-CD2 4.19Å; Q302-L332 HydrophobicContact CG-CD2 4.16Å; M306-L332 HydrophobicContact CG-CD1 4.02Å; M306-L332 HydrophobicContact CG-CD2 4.43Å; T328-L332 HydrophobicContact CG2-CD2 4.39Å; T328-L332 PolarHBondContact O-N 2.76Å; C329-L332 PolarHBondContact O-N 3.05Å; L332-V336 HydrophobicContact CB-CB 4.27Å; L332-V336 HydrophobicContact CB-CG1 4.49Å; L332-V336 HydrophobicContact CB-CG2 4.21Å; L332-V336 HydrophobicContact CD1-CG1 4.02Å; L332-L338 HydrophobicContact CD1-CD2 4.02Å; L332-I341 HydrophobicContact CD1-CD1 4.18Å; L332-R479 PolarHBondContact O-NH1 3.42Å |
| 333 | Q | 91.9 | Very high | 91.6 | Very high | 68 Ų | 68 | 34.2 Ų | 34.2 | 32% | 0.318 | 18% | 0.177 | S | C | . | . | trans | -56 | 150.6 | 176.9 | -71.3 | -61.9 | -46 | 0 | 0 | 111.2 | R297 V299 Q302 G335 V336 R479 | R297-Q333 HydrophobicContact CB-CG 4.39Å; V299-Q333 HydrophobicContact CG2-CB 3.92Å; Q302-Q333 VanDerWaalsContact OE1-CB 3.3Å; Q302-Q333 VanDerWaalsContact OE1-CG 3.29Å; Q333-G335 PolarHBondContact O-N 2.94Å; Q333-V336 HydrophobicContact CB-CG2 4.13Å; Q333-V336 WeakPolarHBondContact O-CB 3.42Å; Q333-V336 WeakPolarHBondContact O-CG2 3.46Å; Q333-V336 PolarHBondContact O-N 2.94Å; Q333-V336 VanDerWaalsContact O-N 3.08Å; Q333-R479 PolarHBondContact O-NH2 3.22Å | ||
| 334 | V | 87.1 | Confident | 91.7 | Very high | 55 Ų | 55 | 35 Ų | 35 | 33% | 0.333 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -33.1 | -174.3 | 175.2 | 0 | 0 | 0 | 0 | 112.2 | V336 L482 N512 G513 | V334-V336 VanDerWaalsContact C-N 3.31Å; V334-V336 PolarHBondContact O-N 3.02Å; V334-L482 HydrophobicContact CG2-CD1 4.44Å; V334-N512 VanDerWaalsContact CG1-CA 3.45Å; V334-N512 HydrophobicContact CG1-CB 3.92Å; V334-N512 WeakPolarHBondContact CG1-OD1 3.1Å; V334-N512 CarbonylContact O-C 2.99Å; V334-G513 WeakPolarHBondContact O-CA 3.2Å; V334-G513 PolarHBondContact O-N 3.31Å; V334-G513 VanDerWaalsContact O-N 3.1Å |
| 335 | G | 86.7 | Confident | 91.8 | Very high | 36 Ų | 36 | 33.8 Ų | 33.8 | 37% | 0.371 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | -2.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 116 | V299 Q333 K337 | V299-G335 VanDerWaalsContact CG1-C 3.49Å; V299-G335 VanDerWaalsContact CG1-O 3.26Å; V299-G335 WeakPolarHBondContact CG1-O 3.29Å; Q333-G335 PolarHBondContact O-N 2.94Å; G335-K337 PolarHBondContact O-N 2.92Å |
| 336 | V | 91.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 18% | 0.176 | C | C | . | . | trans | -76.2 | 124.6 | -177.7 | 178.5 | 0 | 0 | 0 | 0 | 110.3 | V299 Q302 E303 L332 Q333 V334 L338 I341 | V299-V336 HydrophobicContact CB-CG2 4.34Å; V299-V336 HydrophobicContact CG1-CG2 4.06Å; V299-V336 HydrophobicContact CG2-CG2 4.42Å; Q302-V336 HydrophobicContact CB-CG2 3.79Å; E303-V336 HydrophobicContact CB-CG1 4.13Å; L332-V336 HydrophobicContact CB-CB 4.27Å; L332-V336 HydrophobicContact CB-CG1 4.49Å; L332-V336 HydrophobicContact CB-CG2 4.21Å; L332-V336 HydrophobicContact CD1-CG1 4.02Å; Q333-V336 HydrophobicContact CB-CG2 4.13Å; Q333-V336 WeakPolarHBondContact O-CB 3.42Å; Q333-V336 WeakPolarHBondContact O-CG2 3.46Å; Q333-V336 PolarHBondContact O-N 2.94Å; Q333-V336 VanDerWaalsContact O-N 3.08Å; V334-V336 VanDerWaalsContact C-N 3.31Å; V334-V336 PolarHBondContact O-N 3.02Å; V336-L338 HydrophobicContact CG1-CD2 4.21Å; V336-L338 PolarHBondContact O-N 3.49Å; V336-I341 HydrophobicContact CG1-CD1 3.91Å | ||
| 337 | K | 90.7 | Very high | 91.6 | Very high | 122 Ų | 122 | 34.9 Ų | 34.9 | 53% | 0.53 | 18% | 0.182 | S | C | . | . | trans | -74.9 | 111.7 | 175.9 | -63.8 | -178.9 | -179.1 | -178.6 | 0 | 110.1 | G335 P340 | G335-K337 PolarHBondContact O-N 2.92Å; K337-P340 HydrophobicContact CB-CG 4.32Å; K337-P340 WeakPolarHBondContact O-CD 3.36Å; K337-P340 WeakPolarHBondContact O-CG 3.45Å | ||
| 338 | L | 91.8 | Very high | 91.6 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -82.6 | -24.4 | -175.1 | -62.6 | -176.8 | 0 | 0 | 0 | 113.6 | C329 L332 V336 I341 V342 I475 R479 F522 | C329-L338 HydrophobicContact CB-CD2 4.21Å; L332-L338 HydrophobicContact CD1-CD2 4.02Å; V336-L338 HydrophobicContact CG1-CD2 4.21Å; V336-L338 PolarHBondContact O-N 3.49Å; L338-I341 HydrophobicContact CD2-CD1 4.38Å; L338-I341 PolarHBondContact O-N 3.23Å; L338-I341 VanDerWaalsContact O-N 3.13Å; L338-V342 PolarHBondContact O-N 3.12Å; L338-I475 HydrophobicContact CD1-CG2 3.52Å; L338-R479 HydrophobicContact CD1-CG 3.93Å; L338-F522 HydrophobicContact CB-CZ 4.11Å |
| 339 | K | 91.3 | Very high | 91.5 | Very high | 57 Ų | 57 | 32.1 Ų | 32.1 | 25% | 0.248 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -48 | -57.5 | 176.7 | 179.9 | 163.5 | 175.8 | 171.8 | 0 | 114.5 | I341 C343 D518 A521 F522 D570 | K339-I341 PolarHBondContact O-N 3.45Å; K339-C343 WeakPolarHBondContact O-CB 3.33Å; K339-C343 PolarHBondContact O-N 2.91Å; K339-C343 PolarHBondContact O-SG 3.23Å; K339-C343 VanDerWaalsContact O-SG 3.42Å; K339-D518 HydrophobicContact CB-CB 4.29Å; K339-D518 WeakPolarHBondContact CB-OD2 3.32Å; K339-D518 HydrophobicContact CD-CB 4.2Å; K339-D518 WeakPolarHBondContact CD-OD1 3.49Å; K339-D518 IonicContact NZ-OD1 2.72Å; K339-A521 HydrophobicContact CD-CB 4.04Å; K339-F522 HydrophobicContact CB-CE1 4.34Å; K339-D570 IonicContact NZ-OD2 2.77Å |
| 340 | P | 90.1 | Very high | 91.3 | Very high | 57 Ų | 57 | 32 Ų | 32 | 37% | 0.37 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -61.4 | -32.4 | -179.4 | 24 | -34.4 | 0 | 0 | 0 | 112.8 | K337 S344 | K337-P340 HydrophobicContact CB-CG 4.32Å; K337-P340 WeakPolarHBondContact O-CD 3.36Å; K337-P340 WeakPolarHBondContact O-CG 3.45Å; P340-S344 WeakPolarHBondContact O-CB 3.13Å; P340-S344 PolarHBondContact O-N 2.88Å; P340-S344 PolarHBondContact O-OG 2.82Å |
| 341 | I | 92.8 | Very high | 91.2 | Very high | 2 Ų | 2 | 35.4 Ų | 35.4 | 1% | 0.01 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -73.3 | -56.9 | -178.9 | -58.1 | 170.7 | 0 | 0 | 0 | 110.2 | M306 I310 L332 V336 L338 K339 S344 L345 | M306-I341 HydrophobicContact CB-CD1 3.78Å; M306-I341 HydrophobicContact CB-CG1 4.11Å; M306-I341 HydrophobicContact CB-CG2 4.04Å; M306-I341 HydrophobicContact CE-CG2 4.11Å; M306-I341 HydrophobicContact CG-CD1 4.28Å; I310-I341 HydrophobicContact CD1-CB 4.37Å; I310-I341 HydrophobicContact CD1-CG2 3.57Å; I310-I341 VanDerWaalsContact CD1-O 3.23Å; I310-I341 WeakPolarHBondContact CD1-O 3.25Å; L332-I341 HydrophobicContact CD1-CD1 4.18Å; V336-I341 HydrophobicContact CG1-CD1 3.91Å; L338-I341 HydrophobicContact CD2-CD1 4.38Å; L338-I341 PolarHBondContact O-N 3.23Å; L338-I341 VanDerWaalsContact O-N 3.13Å; K339-I341 PolarHBondContact O-N 3.45Å; I341-S344 PolarHBondContact O-OG 3.45Å; I341-S344 VanDerWaalsContact O-OG 3.06Å; I341-L345 WeakPolarHBondContact O-CB 3.19Å; I341-L345 PolarHBondContact O-N 3.17Å |
| 342 | V | 93.5 | Very high | 90.9 | Very high | 1 Ų | 1 | 33.2 Ų | 33.2 | 1% | 0.006 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -70.9 | -45 | -174.1 | 176.8 | 0 | 0 | 0 | 0 | 110.8 | L338 L345 I346 V472 I475 F522 | L338-V342 PolarHBondContact O-N 3.12Å; V342-L345 PolarHBondContact O-N 2.98Å; V342-I346 HydrophobicContact CG1-CD1 3.71Å; V342-I346 HydrophobicContact CG1-CG1 4.42Å; V342-I346 VanDerWaalsContact O-CG1 3.29Å; V342-I346 WeakPolarHBondContact O-CG1 3.38Å; V342-I346 PolarHBondContact O-N 3.43Å; V342-V472 HydrophobicContact CG1-CG2 3.94Å; V342-I475 HydrophobicContact CG2-CD1 4.11Å; V342-F522 HydrophobicContact CB-CD1 4.05Å; V342-F522 HydrophobicContact CB-CE1 3.73Å; V342-F522 HydrophobicContact CG1-CD1 3.9Å; V342-F522 HydrophobicContact CG1-CE1 4.07Å; V342-F522 HydrophobicContact CG2-CE1 4.24Å |
| 343 | C | 93.7 | Very high | 90.5 | Very high | 16 Ų | 16 | 33 Ų | 33 | 11% | 0.108 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -65.9 | -40.9 | 179.9 | -65.4 | 0 | 0 | 0 | 0 | 111.8 | K339 L345 I346 D347 V525 | K339-C343 WeakPolarHBondContact O-CB 3.33Å; K339-C343 PolarHBondContact O-N 2.91Å; K339-C343 PolarHBondContact O-SG 3.23Å; K339-C343 VanDerWaalsContact O-SG 3.42Å; C343-L345 VanDerWaalsContact C-N 3.33Å; C343-L345 PolarHBondContact O-N 3.27Å; C343-I346 PolarHBondContact O-N 3.28Å; C343-D347 VanDerWaalsContact O-CB 3.25Å; C343-D347 WeakPolarHBondContact O-CB 3.43Å; C343-D347 PolarHBondContact O-N 3.29Å; C343-V525 HydrophobicContact CB-CG2 4.05Å |
| 344 | S | 91.6 | Very high | 90.1 | Very high | 34 Ų | 34 | 30.7 Ų | 30.7 | 24% | 0.238 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -64.1 | -38.6 | 178 | 64.1 | 0 | 0 | 0 | 0 | 112.2 | P340 I341 R348 | P340-S344 WeakPolarHBondContact O-CB 3.13Å; P340-S344 PolarHBondContact O-N 2.88Å; P340-S344 PolarHBondContact O-OG 2.82Å; I341-S344 PolarHBondContact O-OG 3.45Å; I341-S344 VanDerWaalsContact O-OG 3.06Å; S344-R348 WeakPolarHBondContact O-CB 3.2Å; S344-R348 PolarHBondContact O-N 3.16Å |
| 345 | L | 94 | Very high | 90 | Very high | 2 Ų | 2 | 32.8 Ų | 32.8 | 1% | 0.01 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -64.5 | -48.5 | 176.5 | 179.5 | 61.8 | 0 | 0 | 0 | 111.7 | I310 H318 L322 L325 L326 I341 V342 C343 L349 F468 | I310-L345 HydrophobicContact CD1-CB 4.02Å; I310-L345 HydrophobicContact CG1-CB 4.33Å; I310-L345 HydrophobicContact CG1-CD1 4.35Å; I310-L345 HydrophobicContact CG2-CB 4.25Å; I310-L345 HydrophobicContact CG2-CD1 4.33Å; H318-L345 HydrophobicContact CB-CD1 4.3Å; L322-L345 HydrophobicContact CD1-CD2 3.7Å; L322-L345 HydrophobicContact CD1-CG 4.27Å; L325-L345 HydrophobicContact CD2-CD1 3.96Å; L325-L345 HydrophobicContact CD2-CD2 3.65Å; L325-L345 HydrophobicContact CD2-CG 4.44Å; L325-L345 HydrophobicContact CG-CD2 4.33Å; L326-L345 HydrophobicContact CD2-CD2 3.92Å; L326-L345 HydrophobicContact CG-CD2 4.31Å; I341-L345 WeakPolarHBondContact O-CB 3.19Å; I341-L345 PolarHBondContact O-N 3.17Å; V342-L345 PolarHBondContact O-N 2.98Å; C343-L345 VanDerWaalsContact C-N 3.33Å; C343-L345 PolarHBondContact O-N 3.27Å; L345-L349 HydrophobicContact CD1-CD1 3.82Å; L345-L349 HydrophobicContact CD1-CG 4.3Å; L345-L349 HydrophobicContact CG-CD1 4.26Å; L345-L349 WeakPolarHBondContact O-CB 3.32Å; L345-L349 WeakPolarHBondContact O-CG 3.49Å; L345-L349 PolarHBondContact O-N 2.91Å; L345-F468 HydrophobicContact CG-CE1 4.45Å |
| 346 | I | 92.7 | Very high | 89.8 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -67.3 | -43.6 | 179.6 | -54.7 | 163.8 | 0 | 0 | 0 | 110.1 | V342 C343 R348 L349 S350 F468 V472 V525 L526 L529 | V342-I346 HydrophobicContact CG1-CD1 3.71Å; V342-I346 HydrophobicContact CG1-CG1 4.42Å; V342-I346 VanDerWaalsContact O-CG1 3.29Å; V342-I346 WeakPolarHBondContact O-CG1 3.38Å; V342-I346 PolarHBondContact O-N 3.43Å; C343-I346 PolarHBondContact O-N 3.28Å; I346-R348 PolarHBondContact O-N 2.94Å; I346-L349 PolarHBondContact O-N 2.95Å; I346-S350 VanDerWaalsContact O-CB 3.24Å; I346-S350 WeakPolarHBondContact O-CB 3.16Å; I346-S350 PolarHBondContact O-N 3.04Å; I346-S350 PolarHBondContact O-OG 3.45Å; I346-F468 HydrophobicContact CB-CE1 4.35Å; I346-F468 HydrophobicContact CB-CZ 4.38Å; I346-F468 HydrophobicContact CD1-CD1 4.3Å; I346-F468 HydrophobicContact CG1-CD1 3.67Å; I346-F468 HydrophobicContact CG1-CE1 3.49Å; I346-F468 VanDerWaalsContact CG1-CE1 3.49Å; I346-F468 HydrophobicContact CG1-CG 4.3Å; I346-F468 HydrophobicContact CG1-CZ 4Å; I346-F468 HydrophobicContact CG2-CE2 4.4Å; I346-F468 HydrophobicContact CG2-CZ 4.43Å; I346-V472 HydrophobicContact CD1-CG2 4.03Å; I346-V525 HydrophobicContact CB-CB 4.31Å; I346-V525 HydrophobicContact CB-CG1 3.57Å; I346-V525 HydrophobicContact CG2-CB 4.21Å; I346-V525 HydrophobicContact CG2-CG1 3.46Å; I346-V525 VanDerWaalsContact CG2-CG1 3.46Å; I346-L526 HydrophobicContact CD1-CD2 3.93Å; I346-L526 HydrophobicContact CD1-CG 4.39Å; I346-L526 HydrophobicContact CG2-CD2 4.38Å; I346-L529 HydrophobicContact CG2-CD2 4.28Å |
| 347 | D | 90.6 | Very high | 89.2 | Confident | 23 Ų | 23 | 36.9 Ų | 36.9 | 12% | 0.123 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -59.4 | -46.1 | 177.5 | -88.2 | -23.6 | 0 | 0 | 0 | 111.6 | C343 S350 K351 V525 | C343-D347 VanDerWaalsContact O-CB 3.25Å; C343-D347 WeakPolarHBondContact O-CB 3.43Å; C343-D347 PolarHBondContact O-N 3.29Å; D347-S350 PolarHBondContact O-N 2.87Å; D347-K351 WeakPolarHBondContact O-CG 3.45Å; D347-K351 PolarHBondContact O-N 3.47Å; D347-V525 HydrophobicContact CB-CG1 4.48Å; D347-V525 WeakPolarHBondContact OD1-CG1 3.5Å |
| 348 | R | 91.4 | Very high | 88.6 | Confident | 62 Ų | 62 | 39.1 Ų | 39.1 | 23% | 0.234 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -60.5 | -50 | 179 | 178.2 | 175.5 | 169.4 | 154.3 | 3.6 | 110.7 | I310 Q311 F313 D315 S344 I346 K351 H352 | I310-R348 PolarHBondContact O-NH1 3.27Å; Q311-R348 PolarHBondContact O-NH1 3.34Å; F313-R348 VanDerWaalsContact O-CZ 3.26Å; F313-R348 PolarHBondContact O-NH1 3.14Å; F313-R348 PolarHBondContact O-NH2 3.41Å; D315-R348 IonicContact OD1-CZ 3.45Å; D315-R348 IonicContact OD1-NE 3.16Å; D315-R348 PolarHBondContact OD1-NE 3.16Å; D315-R348 IonicContact OD1-NH2 2.84Å; D315-R348 PolarHBondContact OD1-NH2 3.35Å; S344-R348 WeakPolarHBondContact O-CB 3.2Å; S344-R348 PolarHBondContact O-N 3.16Å; I346-R348 PolarHBondContact O-N 2.94Å; R348-K351 PolarHBondContact O-N 3.19Å; R348-H352 PolarHBondContact O-N 2.7Å |
| 349 | L | 90.9 | Very high | 88.1 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -69.8 | -32.8 | 179.7 | -68.7 | 178.4 | 0 | 0 | 0 | 112.4 | D315 H318 L319 L322 L345 I346 K351 H352 V353 F468 | D315-L349 HydrophobicContact CB-CD2 4.1Å; H318-L349 HydrophobicContact CB-CD1 4.34Å; H318-L349 HydrophobicContact CB-CD2 4.22Å; L319-L349 HydrophobicContact CD2-CD1 4.18Å; L319-L349 HydrophobicContact CD2-CD2 4.03Å; L319-L349 HydrophobicContact CG-CD2 3.99Å; L322-L349 HydrophobicContact CD1-CD1 4.23Å; L322-L349 HydrophobicContact CD2-CD1 4.45Å; L345-L349 HydrophobicContact CD1-CD1 3.82Å; L345-L349 HydrophobicContact CD1-CG 4.3Å; L345-L349 HydrophobicContact CG-CD1 4.26Å; L345-L349 WeakPolarHBondContact O-CB 3.32Å; L345-L349 WeakPolarHBondContact O-CG 3.49Å; L345-L349 PolarHBondContact O-N 2.91Å; I346-L349 PolarHBondContact O-N 2.95Å; L349-K351 PolarHBondContact O-N 3.44Å; L349-H352 WeakPolarHBondContact O-CB 3.41Å; L349-H352 PolarHBondContact O-N 3.48Å; L349-V353 WeakPolarHBondContact O-CB 3.26Å; L349-V353 WeakPolarHBondContact O-CG2 3.42Å; L349-V353 PolarHBondContact O-N 3.31Å; L349-F468 HydrophobicContact CB-CE2 4.43Å; L349-F468 HydrophobicContact CB-CZ 4.22Å; L349-F468 HydrophobicContact CD1-CE2 4.34Å; L349-F468 HydrophobicContact CD1-CZ 3.63Å |
| 350 | S | 88.8 | Confident | 87.1 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -62.9 | -41.9 | 173.7 | -57.9 | 0 | 0 | 0 | 0 | 111.6 | I346 D347 V353 A354 L529 | I346-S350 VanDerWaalsContact O-CB 3.24Å; I346-S350 WeakPolarHBondContact O-CB 3.16Å; I346-S350 PolarHBondContact O-N 3.04Å; I346-S350 PolarHBondContact O-OG 3.45Å; D347-S350 PolarHBondContact O-N 2.87Å; S350-V353 PolarHBondContact O-N 3.08Å; S350-A354 WeakPolarHBondContact O-CB 3.41Å; S350-A354 PolarHBondContact O-N 3Å; S350-L529 WeakPolarHBondContact OG-CD1 3.24Å |
| 351 | K | 87.6 | Confident | 86.1 | Confident | 125 Ų | 125 | 47.1 Ų | 47.1 | 54% | 0.543 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -65.5 | -41.7 | 175 | -71.6 | 170.9 | -174.5 | 173.8 | 0 | 111.9 | D347 R348 L349 A354 N355 | D347-K351 WeakPolarHBondContact O-CG 3.45Å; D347-K351 PolarHBondContact O-N 3.47Å; R348-K351 PolarHBondContact O-N 3.19Å; L349-K351 PolarHBondContact O-N 3.44Å; K351-A354 PolarHBondContact O-N 3.48Å; K351-N355 PolarHBondContact O-N 3.19Å; K351-N355 PolarHBondContact O-ND2 3.28Å; K351-N355 PolarHBondContact O-OD1 3.3Å |
| 352 | H | 86.2 | Confident | 84.5 | Confident | 31 Ų | 31 | 55 Ų | 55 | 14% | 0.144 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -58.8 | -48.4 | 174.5 | -177.7 | 84 | 0 | 0 | 0 | 111.2 | D315 R348 L349 A354 N355 E356 | D315-H352 HydrophobicContact CB-CB 4.26Å; D315-H352 WeakPolarHBondContact CB-ND1 3.25Å; D315-H352 IonicContact OD2-CE1 3.74Å; D315-H352 IonicContact OD2-CG 3.24Å; D315-H352 IonicContact OD2-ND1 3.45Å; D315-H352 PolarHBondContact OD2-ND1 3.06Å; R348-H352 PolarHBondContact O-N 2.7Å; L349-H352 WeakPolarHBondContact O-CB 3.41Å; L349-H352 PolarHBondContact O-N 3.48Å; H352-A354 PolarHBondContact O-N 3.12Å; H352-N355 PolarHBondContact O-N 3.43Å; H352-E356 WeakPolarHBondContact O-CG 3.23Å; H352-E356 PolarHBondContact O-N 3.02Å |
| 353 | V | 85.2 | Confident | 83.1 | Confident | 3 Ų | 3 | 57.7 Ų | 57.7 | 2% | 0.018 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -59.8 | -44.8 | 177 | 174.6 | 0 | 0 | 0 | 0 | 111.3 | L349 S350 N355 E356 L357 L363 L464 I532 I533 | L349-V353 WeakPolarHBondContact O-CB 3.26Å; L349-V353 WeakPolarHBondContact O-CG2 3.42Å; L349-V353 PolarHBondContact O-N 3.31Å; S350-V353 PolarHBondContact O-N 3.08Å; V353-N355 PolarHBondContact O-N 2.8Å; V353-E356 PolarHBondContact O-N 3.43Å; V353-L357 HydrophobicContact CG1-CD1 3.78Å; V353-L357 HydrophobicContact CG1-CG 4.27Å; V353-L357 WeakPolarHBondContact O-CB 3Å; V353-L357 VanDerWaalsContact O-CG 3.26Å; V353-L357 WeakPolarHBondContact O-CG 3.38Å; V353-L357 PolarHBondContact O-N 3Å; V353-L363 HydrophobicContact CG1-CD2 4.26Å; V353-L363 HydrophobicContact CG2-CD1 4.44Å; V353-L363 HydrophobicContact CG2-CD2 3.74Å; V353-L464 HydrophobicContact CG2-CD2 3.5Å; V353-I532 HydrophobicContact CG1-CG2 4.12Å; V353-I533 HydrophobicContact CG1-CG1 4.17Å |
| 354 | A | 83.4 | Confident | 81.4 | Confident | 19 Ų | 19 | 65 Ų | 65 | 16% | 0.157 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -59 | -45.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | S350 K351 H352 L357 E358 I532 | S350-A354 WeakPolarHBondContact O-CB 3.41Å; S350-A354 PolarHBondContact O-N 3Å; K351-A354 PolarHBondContact O-N 3.48Å; H352-A354 PolarHBondContact O-N 3.12Å; A354-L357 PolarHBondContact O-N 2.91Å; A354-E358 WeakPolarHBondContact O-CG 3.27Å; A354-E358 PolarHBondContact O-N 3.41Å; A354-I532 HydrophobicContact CB-CD1 4.34Å; A354-I532 HydrophobicContact CB-CG2 4Å |
| 355 | N | 85.2 | Confident | 79.9 | Confident | 98 Ų | 98 | 64.3 Ų | 64.3 | 52% | 0.524 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -64.4 | -40.6 | 178.1 | -65.7 | -16.2 | 0 | 0 | 0 | 112.5 | K351 H352 V353 E358 A359 | K351-N355 PolarHBondContact O-N 3.19Å; K351-N355 PolarHBondContact O-ND2 3.28Å; K351-N355 PolarHBondContact O-OD1 3.3Å; H352-N355 PolarHBondContact O-N 3.43Å; V353-N355 PolarHBondContact O-N 2.8Å; N355-E358 PolarHBondContact O-N 2.99Å; N355-A359 WeakPolarHBondContact O-CB 3.44Å; N355-A359 PolarHBondContact O-N 3.36Å |
| 356 | E | 82.4 | Confident | 78 | Confident | 42 Ų | 42 | 72 Ų | 72 | 20% | 0.196 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -69.4 | -36.9 | 178.2 | -71.5 | -65.3 | 122.5 | 0 | 0 | 112.1 | H352 V353 A359 G360 R361 L363 | H352-E356 WeakPolarHBondContact O-CG 3.23Å; H352-E356 PolarHBondContact O-N 3.02Å; V353-E356 PolarHBondContact O-N 3.43Å; E356-A359 CarbonylContact O-C 3.49Å; E356-A359 PolarHBondContact O-N 3.48Å; E356-G360 PolarHBondContact O-N 2.91Å; E356-R361 PolarHBondContact O-N 2.86Å; E356-R361 VanDerWaalsContact O-N 3.09Å; E356-R361 IonicContact OE1-NH1 2.82Å; E356-R361 PolarHBondContact OE1-NH1 3.08Å; E356-R361 VanDerWaalsContact OE1-NH1 3.11Å; E356-R361 WeakPolarHBondContact OE2-CD 3.5Å; E356-R361 IonicContact OE2-CZ 3.52Å; E356-R361 IonicContact OE2-NE 2.64Å; E356-R361 IonicContact OE2-NH1 3.47Å; E356-R361 PolarHBondContact OE2-NH1 3.38Å; E356-L363 HydrophobicContact CB-CD1 4.1Å; E356-L363 HydrophobicContact CG-CD1 4.29Å |
| 357 | L | 78.5 | Confident | 76.1 | Confident | 81 Ų | 81 | 72.6 Ų | 72.6 | 42% | 0.424 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -65 | -41.5 | 173.1 | -73.1 | 170.8 | 0 | 0 | 0 | 111.5 | V353 A354 A359 G360 I532 | V353-L357 HydrophobicContact CG1-CD1 3.78Å; V353-L357 HydrophobicContact CG1-CG 4.27Å; V353-L357 WeakPolarHBondContact O-CB 3Å; V353-L357 VanDerWaalsContact O-CG 3.26Å; V353-L357 WeakPolarHBondContact O-CG 3.38Å; V353-L357 PolarHBondContact O-N 3Å; A354-L357 PolarHBondContact O-N 2.91Å; L357-A359 VanDerWaalsContact C-N 3.3Å; L357-A359 PolarHBondContact O-N 3.49Å; L357-G360 PolarHBondContact O-N 3.48Å; L357-G360 VanDerWaalsContact O-N 3.12Å; L357-I532 HydrophobicContact CD1-CG2 3.8Å |
| 358 | E | 78.8 | Confident | 74 | Confident | 169 Ų | 169 | 74.3 Ų | 74.3 | 79% | 0.79 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -64 | -34.5 | 173.2 | -75.3 | -177.9 | -179.1 | 0 | 0 | 112.4 | A354 N355 G360 | A354-E358 WeakPolarHBondContact O-CG 3.27Å; A354-E358 PolarHBondContact O-N 3.41Å; N355-E358 PolarHBondContact O-N 2.99Å; E358-G360 PolarHBondContact O-N 2.77Å |
| 359 | A | 81.2 | Confident | 71.6 | Confident | 63 Ų | 63 | 74.2 Ų | 74.2 | 52% | 0.521 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.5 | -5.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | N355 E356 L357 | N355-A359 WeakPolarHBondContact O-CB 3.44Å; N355-A359 PolarHBondContact O-N 3.36Å; E356-A359 CarbonylContact O-C 3.49Å; E356-A359 PolarHBondContact O-N 3.48Å; L357-A359 VanDerWaalsContact C-N 3.3Å; L357-A359 PolarHBondContact O-N 3.49Å |
| 360 | G | 70.2 | Confident | 69 | Low | 67 Ų | 67 | 79.7 Ų | 79.7 | 69% | 0.691 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.1 | 22 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | E356 L357 E358 | E356-G360 PolarHBondContact O-N 2.91Å; L357-G360 PolarHBondContact O-N 3.48Å; L357-G360 VanDerWaalsContact O-N 3.12Å; E358-G360 PolarHBondContact O-N 2.77Å |
| 361 | R | 69.7 | Low | 66.4 | Low | 152 Ų | 152 | 86.1 Ų | 86.1 | 57% | 0.574 | 45% | 0.452 | S | S | * | . | trans | -93.8 | 135.7 | 178.1 | -67.6 | 168.6 | -179 | 174.5 | 3.3 | 110.3 | E356 L363 | E356-R361 PolarHBondContact O-N 2.86Å; E356-R361 VanDerWaalsContact O-N 3.09Å; E356-R361 IonicContact OE1-NH1 2.82Å; E356-R361 PolarHBondContact OE1-NH1 3.08Å; E356-R361 VanDerWaalsContact OE1-NH1 3.11Å; E356-R361 WeakPolarHBondContact OE2-CD 3.5Å; E356-R361 IonicContact OE2-CZ 3.52Å; E356-R361 IonicContact OE2-NE 2.64Å; E356-R361 IonicContact OE2-NH1 3.47Å; E356-R361 PolarHBondContact OE2-NH1 3.38Å; R361-L363 PolarHBondContact O-N 3.39Å | ||
| 362 | E | 60.1 | Low | 63.7 | Low | 166 Ų | 166 | 86 Ų | 86 | 78% | 0.776 | 45% | 0.449 | S | S | * | . | trans | -73.4 | 119.6 | 171.9 | -77.6 | -175.9 | 173.2 | 0 | 0 | 110.1 | K364 | E362-K364 PolarHBondContact O-N 2.88Š| ||
| 363 | L | 62.5 | Low | 61 | Low | 58 Ų | 58 | 89.5 Ų | 89.5 | 30% | 0.304 | 48% | 0.477 | S | S | . | . | trans | -73.3 | 93.2 | 177.5 | -156.5 | 90.1 | 0 | 0 | 0 | 110 | V353 E356 R361 I365 L464 | V353-L363 HydrophobicContact CG1-CD2 4.26Å; V353-L363 HydrophobicContact CG2-CD1 4.44Å; V353-L363 HydrophobicContact CG2-CD2 3.74Å; E356-L363 HydrophobicContact CB-CD1 4.1Å; E356-L363 HydrophobicContact CG-CD1 4.29Å; R361-L363 PolarHBondContact O-N 3.39Å; L363-I365 HydrophobicContact CD2-CD1 3.63Å; L363-I365 HydrophobicContact CD2-CG1 3.87Å; L363-I365 HydrophobicContact CG-CD1 4.46Å; L363-I365 HydrophobicContact CG-CG1 4.19Å; L363-I365 PolarHBondContact O-N 3.29Å; L363-L464 HydrophobicContact CD2-CD2 4.34Å | ||
| 364 | K | 58.1 | Low | 58.4 | Low | 169 Ų | 169 | 94.7 Ų | 94.7 | 74% | 0.735 | 51% | 0.511 | S | S | * | . | trans | -88.5 | 100.2 | 171.9 | -71.1 | -177.5 | -178.3 | 175.3 | 0 | 109.7 | E362 E366 | E362-K364 PolarHBondContact O-N 2.88Å; K364-E366 PolarHBondContact O-N 3.49Å | ||
| 365 | I | 60.5 | Low | 56.2 | Low | 20 Ų | 20 | 96.4 Ų | 96.4 | 10% | 0.103 | 52% | 0.517 | C | S | . | . | trans | -90 | 102.9 | 172.9 | -55.5 | 161.3 | 0 | 0 | 0 | 108.1 | L319 L363 V367 L464 | L319-I365 HydrophobicContact CD2-CD1 4.48Å; L363-I365 HydrophobicContact CD2-CD1 3.63Å; L363-I365 HydrophobicContact CD2-CG1 3.87Å; L363-I365 HydrophobicContact CG-CD1 4.46Å; L363-I365 HydrophobicContact CG-CG1 4.19Å; L363-I365 PolarHBondContact O-N 3.29Å; I365-V367 VanDerWaalsContact C-N 3.27Å; I365-V367 HydrophobicContact CB-CG2 4.37Å; I365-V367 HydrophobicContact CG2-CG2 3.44Å; I365-V367 VanDerWaalsContact CG2-CG2 3.44Å; I365-V367 PolarHBondContact O-N 3.31Å; I365-L464 HydrophobicContact CD1-CB 3.41Å; I365-L464 VanDerWaalsContact CD1-CB 3.41Å; I365-L464 HydrophobicContact CD1-CD1 3.74Å; I365-L464 HydrophobicContact CD1-CD2 4.04Å; I365-L464 HydrophobicContact CD1-CG 3.88Å | ||
| 366 | E | 54 | Low | 53.5 | Low | 165 Ų | 165 | 101.4 Ų | 101.4 | 77% | 0.771 | 53% | 0.534 | S | S | * | . | trans | -76.3 | 82.6 | 168 | -66.8 | -169.3 | 173.3 | 0 | 0 | 109.5 | K364 S368 | K364-E366 PolarHBondContact O-N 3.49Å; E366-S368 PolarHBondContact O-N 2.86Å | ||
| 367 | V | 52.5 | Low | 50.9 | Low | 11 Ų | 11 | 101.9 Ų | 101.9 | 7% | 0.067 | 55% | 0.545 | C | S | . | . | trans | -73.5 | 100.3 | 172.1 | -171.5 | 0 | 0 | 0 | 0 | 108.4 | P323 I365 C369 L467 | P323-V367 HydrophobicContact CG-CG1 4.03Å; I365-V367 VanDerWaalsContact C-N 3.27Å; I365-V367 HydrophobicContact CB-CG2 4.37Å; I365-V367 HydrophobicContact CG2-CG2 3.44Å; I365-V367 VanDerWaalsContact CG2-CG2 3.44Å; I365-V367 PolarHBondContact O-N 3.31Å; V367-C369 PolarHBondContact O-N 2.94Å; V367-C369 PolarHBondContact O-SG 2.92Å; V367-C369 VanDerWaalsContact O-SG 3.35Å; V367-L467 HydrophobicContact CG1-CD2 4.23Å; V367-L467 HydrophobicContact CG2-CD2 4.12Å | ||
| 368 | S | 47 | Very low | 48.5 | Very low | 59 Ų | 59 | 107 Ų | 107 | 41% | 0.413 | 56% | 0.564 | S | S | . | * | trans | -70.3 | 95.7 | 167.8 | -173.4 | 0 | 0 | 0 | 0 | 108.5 | K282 E366 N370 | K282-S368 PolarHBondContact NZ-OG 2.99Å; E366-S368 PolarHBondContact O-N 2.86Å; S368-N370 PolarHBondContact O-N 2.91Å | ||
| 369 | C | 41.6 | Very low | 45.9 | Very low | 60 Ų | 60 | 105 Ų | 105 | 41% | 0.405 | 56% | 0.563 | S | S | . | * | trans | -74.3 | -1.7 | -174.5 | 9.5 | 0 | 0 | 0 | 0 | 113.7 | V367 T460 | V367-C369 PolarHBondContact O-N 2.94Å; V367-C369 PolarHBondContact O-SG 2.92Å; V367-C369 VanDerWaalsContact O-SG 3.35Å; C369-T460 PolarHBondContact SG-OG1 2.65Å | ||
| 370 | N | 34.8 | Very low | 43.2 | Very low | 115 Ų | 115 | 106.2 Ų | 106.2 | 62% | 0.615 | 57% | 0.568 | S | S | * | * | trans | -122.8 | 141.7 | -173.1 | -87 | -14.5 | 0 | 0 | 0 | 113.1 | S368 | S368-N370 PolarHBondContact O-N 2.91Š| ||
| 371 | N | 35.1 | Very low | 41 | Very low | 136 Ų | 136 | 108.3 Ų | 108.3 | 73% | 0.727 | 57% | 0.571 | S | S | * | * | trans | 89.7 | 83.7 | 167 | -49.2 | -17.9 | 0 | 0 | 0 | 115.4 | ||||
| 372 | Y | 31.3 | Very low | 38.9 | Very low | 123 Ų | 123 | 107.3 Ų | 107.3 | 48% | 0.482 | 58% | 0.577 | S | S | . | * | -153.1 | 115.8 | 126.8 | -88.5 | -70.9 | 0 | 0 | 0 | 108.5 | K282 P287 L324 | K282-Y372 PolarHBondContact O-OH 3.19Å; P287-Y372 HydrophobicContact CG-CE1 4.43Å; P287-Y372 HydrophobicContact CG-CE2 4.36Å; P287-Y372 WeakPolarHBondContact CG-OH 3.28Å; L324-Y372 HydrophobicContact CD1-CD2 4.3Å; L324-Y372 HydrophobicContact CD2-CD2 4.2Å; L324-Y372 HydrophobicContact CD2-CE2 4.18Å | |||
| 373 | S | 29.7 | Very low | 37.2 | Very low | 104 Ų | 104 | 106.8 Ų | 106.8 | 73% | 0.727 | 58% | 0.58 | S | S | * | * | P | Polyproline II helix | trans | -52.8 | 145 | 167.3 | -52.4 | 0 | 0 | 0 | 0 | 109.4 | I375 | S373-I375 PolarHBondContact O-N 3.13Š|
| 374 | P | 30.8 | Very low | 35.5 | Very low | 112 Ų | 112 | 111.6 Ų | 111.6 | 73% | 0.727 | 60% | 0.604 | S | S | * | * | P | Polyproline II helix | trans | -51.7 | 120.4 | -178.7 | 19.7 | -30.6 | 0 | 0 | 0 | 109.3 | K376 | P374-K376 PolarHBondContact O-N 2.89Š|
| 375 | I | 36.6 | Very low | 34 | Very low | 54 Ų | 54 | 111.2 Ų | 111.2 | 28% | 0.277 | 61% | 0.61 | S | S | . | * | P | Polyproline II helix | trans | -48.4 | 118.7 | 170.4 | -63.4 | 171.5 | 0 | 0 | 0 | 105.1 | I294 S373 A377 | I294-I375 HydrophobicContact CD1-CD1 3.77Å; I294-I375 HydrophobicContact CD1-CG2 4.35Å; S373-I375 PolarHBondContact O-N 3.13Å; I375-A377 PolarHBondContact O-N 3.2Å |
| 376 | K | 28.5 | Very low | 32.4 | Very low | 203 Ų | 203 | 113 Ų | 113 | 88% | 0.883 | 63% | 0.634 | S | S | * | * | trans | -65.9 | 74 | -171 | -73 | 176.8 | 176.8 | 172.2 | 0 | 110.6 | P374 K378 | P374-K376 PolarHBondContact O-N 2.89Å; K376-K378 PolarHBondContact O-N 3.06Å; K376-K378 VanDerWaalsContact O-N 3.12Å | ||
| 377 | A | 27.3 | Very low | 31 | Very low | 53 Ų | 53 | 112.2 Ų | 112.2 | 44% | 0.438 | 64% | 0.635 | S | S | . | * | trans | -68.7 | 107.5 | 162.7 | 0 | 0 | 0 | 0 | 0 | 106.5 | I375 T379 | I375-A377 PolarHBondContact O-N 3.2Å; A377-T379 VanDerWaalsContact C-N 3.26Å; A377-T379 PolarHBondContact O-N 3.5Å; A377-T379 PolarHBondContact O-OG1 3.06Å | ||
| 378 | K | 28.6 | Very low | 29.9 | Very low | 187 Ų | 187 | 119.6 Ų | 119.6 | 81% | 0.813 | 67% | 0.674 | S | S | * | * | trans | -60.9 | 92.7 | 167.8 | -74.7 | 175.6 | 178.1 | 172.6 | 0 | 108.1 | K376 S380 | K376-K378 PolarHBondContact O-N 3.06Å; K376-K378 VanDerWaalsContact O-N 3.12Å; K378-S380 PolarHBondContact O-N 3.31Å | ||
| 379 | T | 24.6 | Very low | 28.9 | Very low | 127 Ų | 127 | 123.1 Ų | 123.1 | 78% | 0.779 | 69% | 0.688 | S | S | * | * | trans | -66.3 | 96.9 | 169.4 | -38.3 | 0 | 0 | 0 | 0 | 107.3 | A377 | A377-T379 VanDerWaalsContact C-N 3.26Å; A377-T379 PolarHBondContact O-N 3.5Å; A377-T379 PolarHBondContact O-OG1 3.06Å | ||
| 380 | S | 23.9 | Very low | 28.2 | Very low | 89 Ų | 89 | 126.8 Ų | 126.8 | 62% | 0.622 | 70% | 0.704 | S | S | * | * | trans | -113.7 | 76.4 | 174.9 | 178.8 | 0 | 0 | 0 | 0 | 108.4 | K378 N382 | K378-S380 PolarHBondContact O-N 3.31Å; S380-N382 VanDerWaalsContact C-N 3.26Å; S380-N382 PolarHBondContact O-N 3.26Å | ||
| 381 | C | 24.1 | Very low | 27.7 | Very low | 111 Ų | 111 | 127.9 Ų | 127.9 | 75% | 0.75 | 71% | 0.709 | S | S | * | * | trans | -83.3 | 77.7 | 157.2 | 25 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 382 | N | 25.1 | Very low | 27.4 | Very low | 132 Ų | 132 | 128.3 Ų | 128.3 | 71% | 0.706 | 71% | 0.712 | S | S | * | * | trans | -86.4 | 119.5 | 168.3 | -88.7 | -8.8 | 0 | 0 | 0 | 108.7 | S380 I384 | S380-N382 VanDerWaalsContact C-N 3.26Å; S380-N382 PolarHBondContact O-N 3.26Å; N382-I384 PolarHBondContact O-N 3.46Å; N382-I384 VanDerWaalsContact O-N 3.08Å | ||
| 383 | N | 24.2 | Very low | 27.2 | Very low | 155 Ų | 155 | 130.3 Ų | 130.3 | 83% | 0.829 | 73% | 0.73 | S | S | * | * | trans | -48.9 | 107.7 | 167.6 | -75.1 | -22.1 | 0 | 0 | 0 | 110.5 | N385 | N383-N385 VanDerWaalsContact C-N 3.34Å; N383-N385 PolarHBondContact O-N 3.23Å | ||
| 384 | I | 28.1 | Very low | 27 | Very low | 158 Ų | 158 | 128.5 Ų | 128.5 | 81% | 0.81 | 73% | 0.728 | S | S | * | * | trans | -88.7 | 83.1 | 166.3 | -57.9 | 176.3 | 0 | 0 | 0 | 106.7 | N382 G386 | N382-I384 PolarHBondContact O-N 3.46Å; N382-I384 VanDerWaalsContact O-N 3.08Å; I384-G386 PolarHBondContact O-N 3.13Å | ||
| 385 | N | 26.4 | Very low | 26.8 | Very low | 162 Ų | 162 | 130.6 Ų | 130.6 | 87% | 0.866 | 73% | 0.734 | S | S | * | * | trans | -82.7 | 90 | 153.8 | -80.1 | -6.6 | 0 | 0 | 0 | 106.4 | N383 | N383-N385 VanDerWaalsContact C-N 3.34Å; N383-N385 PolarHBondContact O-N 3.23Å | ||
| 386 | G | 25.6 | Very low | 26.4 | Very low | 58 Ų | 58 | 136.6 Ų | 136.6 | 60% | 0.598 | 76% | 0.76 | S | S | * | * | trans | -128.5 | 91.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 108.7 | I384 D388 | I384-G386 PolarHBondContact O-N 3.13Å; G386-D388 PolarHBondContact O-N 3.37Å | ||
| 387 | N | 25.4 | Very low | 26.2 | Very low | 148 Ų | 148 | 132 Ų | 132 | 79% | 0.791 | 75% | 0.754 | S | S | * | * | trans | -55.8 | 117 | 165.5 | -76.2 | -13.8 | 0 | 0 | 0 | 108.9 | ||||
| 388 | D | 30.2 | Very low | 26.2 | Very low | 166 Ų | 166 | 134.1 Ų | 134.1 | 89% | 0.888 | 77% | 0.765 | S | S | * | * | trans | -135.6 | 82.4 | 151.2 | -90.7 | -31.8 | 0 | 0 | 0 | 107.5 | G386 N390 | G386-D388 PolarHBondContact O-N 3.37Å; D388-N390 PolarHBondContact O-N 3.44Å | ||
| 389 | D | 25.3 | Very low | 26 | Very low | 133 Ų | 133 | 132.6 Ų | 132.6 | 71% | 0.711 | 77% | 0.765 | S | S | * | * | trans | -61.2 | 119.4 | 159.2 | -75.7 | -44.8 | 0 | 0 | 0 | 109.4 | ||||
| 390 | N | 25.9 | Very low | 26.2 | Very low | 137 Ų | 137 | 135 Ų | 135 | 73% | 0.733 | 77% | 0.767 | S | S | * | * | 154.1 | 136.6 | 120.5 | -85.1 | -52.1 | 0 | 0 | 0 | 113.5 | D388 | D388-N390 PolarHBondContact O-N 3.44Š| |||
| 391 | N | 25.5 | Very low | 26.3 | Very low | 137 Ų | 137 | 137.8 Ų | 137.8 | 73% | 0.733 | 78% | 0.775 | S | S | * | * | trans | 72.3 | 127.6 | 159.2 | -61.1 | -26.2 | 0 | 0 | 0 | 115.3 | ||||
| 392 | N | 27.8 | Very low | 26.4 | Very low | 146 Ų | 146 | 141.3 Ų | 141.3 | 78% | 0.781 | 78% | 0.78 | S | S | * | * | cis | -163.5 | 146.1 | 25.1 | -124.5 | -21.8 | 0 | 0 | 0 | 108.5 | G394 | N392-G394 PolarHBondContact O-N 3.28Å; N392-G394 VanDerWaalsContact O-N 3.15Å | ||
| 393 | N | 27.4 | Very low | 26.5 | Very low | 164 Ų | 164 | 143.7 Ų | 143.7 | 88% | 0.877 | 79% | 0.787 | S | S | * | * | trans | -44 | 113.5 | 171 | -81.9 | -29.4 | 0 | 0 | 0 | 112.5 | ||||
| 394 | G | 25.7 | Very low | 26.5 | Very low | 66 Ų | 66 | 144 Ų | 144 | 68% | 0.68 | 79% | 0.789 | S | S | * | * | trans | -121.2 | 75.9 | 167.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | N392 H396 | N392-G394 PolarHBondContact O-N 3.28Å; N392-G394 VanDerWaalsContact O-N 3.15Å; G394-H396 PolarHBondContact O-N 3.37Å | ||
| 395 | N | 25.8 | Very low | 26.5 | Very low | 157 Ų | 157 | 144.2 Ų | 144.2 | 84% | 0.84 | 79% | 0.79 | S | S | * | * | trans | -56.6 | 104.2 | 165.4 | -90.3 | -13.1 | 0 | 0 | 0 | 108.9 | ||||
| 396 | H | 28.4 | Very low | 26.5 | Very low | 180 Ų | 180 | 141.6 Ų | 141.6 | 83% | 0.833 | 78% | 0.784 | S | S | * | * | trans | -123.3 | 84.3 | 162.3 | -99 | -75.1 | 0 | 0 | 0 | 109 | G394 S398 | G394-H396 PolarHBondContact O-N 3.37Å; H396-S398 PolarHBondContact O-N 2.95Å | ||
| 397 | S | 25.2 | Very low | 26.4 | Very low | 107 Ų | 107 | 144.5 Ų | 144.5 | 75% | 0.748 | 80% | 0.795 | S | S | * | * | trans | -66.1 | 112.3 | 153.3 | 51.8 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 398 | S | 27.1 | Very low | 26.3 | Very low | 96 Ų | 96 | 142.5 Ų | 142.5 | 67% | 0.671 | 79% | 0.793 | S | S | * | * | trans | -132 | 103.6 | 156 | 68 | 0 | 0 | 0 | 0 | 108.4 | H396 H400 | H396-S398 PolarHBondContact O-N 2.95Å; S398-H400 PolarHBondContact O-N 3.05Å | ||
| 399 | L | 24.7 | Very low | 26 | Very low | 156 Ų | 156 | 141.1 Ų | 141.1 | 82% | 0.817 | 79% | 0.791 | S | S | * | * | trans | -50.5 | 123.4 | 172.8 | -68.8 | 107.8 | 0 | 0 | 0 | 110.7 | ||||
| 400 | H | 29.2 | Very low | 26 | Very low | 176 Ų | 176 | 141.1 Ų | 141.1 | 82% | 0.815 | 80% | 0.795 | S | S | * | * | trans | -114.7 | 124.2 | 152 | -90.2 | -63.1 | 0 | 0 | 0 | 107.4 | S398 E402 | S398-H400 PolarHBondContact O-N 3.05Å; H400-E402 PolarHBondContact O-N 3.04Å | ||
| 401 | N | 26.2 | Very low | 25.9 | Very low | 148 Ų | 148 | 139.5 Ų | 139.5 | 79% | 0.791 | 79% | 0.794 | S | S | * | * | trans | -50.1 | 116.6 | -171.3 | -60.7 | -28.5 | 0 | 0 | 0 | 112.3 | E403 | N401-E403 PolarHBondContact O-N 2.84Š| ||
| 402 | E | 25.7 | Very low | 25.8 | Very low | 185 Ų | 185 | 139.4 Ų | 139.4 | 86% | 0.864 | 79% | 0.794 | S | S | * | * | trans | -75.1 | 111.8 | 156.3 | -71.3 | -176.1 | 152.9 | 0 | 0 | 106.9 | H400 | H400-E402 PolarHBondContact O-N 3.04Š| ||
| 403 | E | 27.2 | Very low | 25.6 | Very low | 183 Ų | 183 | 138.7 Ų | 138.7 | 86% | 0.855 | 80% | 0.795 | S | S | * | * | trans | -82.3 | 121.7 | 159.6 | -78.4 | -174.5 | 164.3 | 0 | 0 | 107.7 | N401 I405 | N401-E403 PolarHBondContact O-N 2.84Å; E403-I405 PolarHBondContact O-N 3.42Å | ||
| 404 | D | 24.6 | Very low | 25.4 | Very low | 162 Ų | 162 | 139.5 Ų | 139.5 | 87% | 0.866 | 79% | 0.793 | S | S | * | * | trans | -51.5 | 110.8 | -172.1 | -65 | -61.7 | 0 | 0 | 0 | 113.2 | ||||
| 405 | I | 28.2 | Very low | 25.2 | Very low | 162 Ų | 162 | 144 Ų | 144 | 83% | 0.831 | 80% | 0.801 | S | S | * | * | trans | -103.8 | 111.4 | 157.3 | -63.1 | 178.5 | 0 | 0 | 0 | 107.4 | E403 S407 | E403-I405 PolarHBondContact O-N 3.42Å; I405-S407 PolarHBondContact O-N 3.25Å | ||
| 406 | S | 25.8 | Very low | 25 | Very low | 107 Ų | 107 | 146 Ų | 146 | 75% | 0.748 | 80% | 0.802 | S | S | * | * | trans | -39.8 | 125.7 | -178.6 | 49.5 | 0 | 0 | 0 | 0 | 114.7 | S408 | S406-S408 PolarHBondContact O-N 2.62Š| ||
| 407 | S | 22.9 | Very low | 24.8 | Very low | 118 Ų | 118 | 144.8 Ų | 144.8 | 83% | 0.825 | 80% | 0.802 | S | S | * | * | trans | -46.8 | 118.8 | 170.2 | 53.4 | 0 | 0 | 0 | 0 | 114.2 | I405 | I405-S407 PolarHBondContact O-N 3.25Š| ||
| 408 | S | 22.8 | Very low | 24.8 | Very low | 106 Ų | 106 | 145.1 Ų | 145.1 | 74% | 0.741 | 80% | 0.804 | S | S | * | * | trans | -112 | 116.9 | 154.2 | 58.9 | 0 | 0 | 0 | 0 | 108.8 | S406 V410 | S406-S408 PolarHBondContact O-N 2.62Å; S408-V410 PolarHBondContact O-N 3.25Å | ||
| 409 | T | 24.5 | Very low | 24.6 | Very low | 138 Ų | 138 | 147.3 Ų | 147.3 | 85% | 0.847 | 81% | 0.808 | S | S | * | * | trans | -68.6 | 108.6 | -177.9 | 43.2 | 0 | 0 | 0 | 0 | 110.3 | S411 | T409-S411 PolarHBondContact O-N 2.79Š| ||
| 410 | V | 25.4 | Very low | 24.7 | Very low | 133 Ų | 133 | 148 Ų | 148 | 81% | 0.806 | 81% | 0.807 | S | S | * | * | trans | -78.4 | 114 | 167.1 | 178.5 | 0 | 0 | 0 | 0 | 107.5 | S408 D412 | S408-V410 PolarHBondContact O-N 3.25Å; V410-D412 PolarHBondContact O-N 2.94Å | ||
| 411 | S | 23.6 | Very low | 24.5 | Very low | 102 Ų | 102 | 147.5 Ų | 147.5 | 71% | 0.713 | 81% | 0.811 | S | S | * | * | trans | -69.5 | 122 | 177 | 38.3 | 0 | 0 | 0 | 0 | 111.4 | T409 V413 | T409-S411 PolarHBondContact O-N 2.79Å; S411-V413 PolarHBondContact O-N 2.95Å | ||
| 412 | D | 23.7 | Very low | 24.4 | Very low | 135 Ų | 135 | 148.4 Ų | 148.4 | 72% | 0.722 | 81% | 0.81 | S | S | * | * | trans | -56.2 | 108.8 | 176.1 | -72.3 | -49.8 | 0 | 0 | 0 | 112.2 | V410 Q414 | V410-D412 PolarHBondContact O-N 2.94Å; D412-Q414 PolarHBondContact O-N 2.95Å | ||
| 413 | V | 24.1 | Very low | 24.4 | Very low | 131 Ų | 131 | 148.8 Ų | 148.8 | 79% | 0.794 | 81% | 0.812 | S | S | * | * | trans | -89.5 | 101.8 | 166 | 179 | 0 | 0 | 0 | 0 | 108.1 | S411 L415 | S411-V413 PolarHBondContact O-N 2.95Å; V413-L415 PolarHBondContact O-N 3.29Å | ||
| 414 | Q | 22 | Very low | 24.5 | Very low | 181 Ų | 181 | 150 Ų | 150 | 85% | 0.846 | 81% | 0.814 | S | S | * | * | trans | -64.8 | 110.1 | 172.3 | -81.1 | 175.2 | -25.7 | 0 | 0 | 110.6 | D412 K416 | D412-Q414 PolarHBondContact O-N 2.95Å; Q414-K416 PolarHBondContact O-N 2.96Å | ||
| 415 | L | 22.7 | Very low | 24.6 | Very low | 162 Ų | 162 | 148 Ų | 148 | 85% | 0.848 | 80% | 0.803 | S | S | * | * | trans | -59.1 | 110.2 | 167.6 | -79.6 | 134.7 | 0 | 0 | 0 | 110.1 | V413 N417 | V413-L415 PolarHBondContact O-N 3.29Å; L415-N417 PolarHBondContact O-N 3Å | ||
| 416 | K | 22.4 | Very low | 24.5 | Very low | 197 Ų | 197 | 147.7 Ų | 147.7 | 86% | 0.857 | 80% | 0.801 | S | S | * | * | trans | -79.1 | 112.9 | 164 | -81.5 | -178.2 | 176.3 | 176.5 | 0 | 108.5 | Q414 S418 | Q414-K416 PolarHBondContact O-N 2.96Å; K416-S418 PolarHBondContact O-N 3.31Å | ||
| 417 | N | 23 | Very low | 24.6 | Very low | 155 Ų | 155 | 152.2 Ų | 152.2 | 83% | 0.829 | 81% | 0.807 | S | S | * | * | trans | -61.3 | 118.9 | 166.7 | -67.6 | -25.8 | 0 | 0 | 0 | 109.4 | L415 | L415-N417 PolarHBondContact O-N 3Š| ||
| 418 | S | 24.5 | Very low | 24.7 | Very low | 115 Ų | 115 | 153.7 Ų | 153.7 | 80% | 0.804 | 81% | 0.806 | S | S | * | * | trans | -133.8 | 125.6 | 161.2 | 42.3 | 0 | 0 | 0 | 0 | 108.7 | K416 | K416-S418 PolarHBondContact O-N 3.31Š| ||
| 419 | D | 24.3 | Very low | 24.7 | Very low | 141 Ų | 141 | 157 Ų | 157 | 75% | 0.754 | 81% | 0.81 | S | S | * | * | trans | -70 | 140.6 | -158.2 | -66.4 | -62.1 | 0 | 0 | 0 | 115.6 | ||||
| 420 | Q | 25.5 | Very low | 24.7 | Very low | 170 Ų | 170 | 158.8 Ų | 158.8 | 79% | 0.794 | 81% | 0.81 | S | S | * | * | trans | 29 | 100.5 | 135.3 | -56.3 | -176.5 | 1.8 | 0 | 0 | 117.3 | ||||
| 421 | N | 25.3 | Very low | 24.6 | Very low | 167 Ų | 167 | 159.6 Ų | 159.6 | 89% | 0.893 | 81% | 0.81 | S | S | * | * | trans | -173.2 | 36.1 | 143 | -99 | -25.5 | 0 | 0 | 0 | 116.3 | ||||
| 422 | Q | 24.8 | Very low | 24.7 | Very low | 166 Ų | 166 | 160.5 Ų | 160.5 | 78% | 0.776 | 81% | 0.811 | S | S | * | * | trans | -131 | 65.3 | 174.6 | -80.8 | -176.1 | -6.8 | 0 | 0 | 113.1 | ||||
| 423 | E | 26.2 | Very low | 24.6 | Very low | 194 Ų | 194 | 159.6 Ų | 159.6 | 91% | 0.907 | 81% | 0.811 | S | S | * | * | S | Bend | trans | -109.1 | 17.4 | 171.5 | -122.4 | -177.5 | -173.4 | 0 | 0 | 113.7 | ||
| 424 | K | 28.6 | Very low | 24.7 | Very low | 207 Ų | 207 | 158.2 Ų | 158.2 | 90% | 0.9 | 80% | 0.798 | S | S | * | * | S | Bend | trans | -126.1 | 11 | 179.8 | -89.2 | -173.8 | 179.1 | 177.7 | 0 | 117.5 | ||
| 425 | I | 27.2 | Very low | 24.8 | Very low | 122 Ų | 122 | 154.7 Ų | 154.7 | 63% | 0.626 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -107.5 | -12.8 | 179.1 | -61.3 | 178.4 | 0 | 0 | 0 | 113.8 | K427 | I425-K427 VanDerWaalsContact C-N 3.31Å; I425-K427 PolarHBondContact O-N 3.1Å; I425-K427 VanDerWaalsContact O-N 3.11Å |
| 426 | I | 26.5 | Very low | 24.8 | Very low | 154 Ų | 154 | 152.5 Ų | 152.5 | 79% | 0.79 | 79% | 0.789 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.7 | -0.9 | -168.9 | -57.7 | 175.7 | 0 | 0 | 0 | 115.1 | ||
| 427 | K | 26.2 | Very low | 24.8 | Very low | 202 Ų | 202 | 147 Ų | 147 | 88% | 0.878 | 78% | 0.775 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.6 | -3.7 | -178.2 | -77 | -172.8 | 178.2 | -178.5 | 0 | 116.9 | I425 | I425-K427 VanDerWaalsContact C-N 3.31Å; I425-K427 PolarHBondContact O-N 3.1Å; I425-K427 VanDerWaalsContact O-N 3.11Å |
| 428 | N | 25.3 | Very low | 24.8 | Very low | 150 Ų | 150 | 148.5 Ų | 148.5 | 80% | 0.802 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -112.8 | 2.4 | -173.6 | -82.1 | 5.5 | 0 | 0 | 0 | 116.8 | ||
| 429 | E | 23.9 | Very low | 24.7 | Very low | 176 Ų | 176 | 149.3 Ų | 149.3 | 82% | 0.822 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -103.3 | 6.7 | -177 | -75.6 | -172.1 | 161.5 | 0 | 0 | 116.4 | ||
| 430 | M | 23.9 | Very low | 24.6 | Very low | 174 Ų | 174 | 149 Ų | 149 | 86% | 0.857 | 78% | 0.775 | S | S | * | * | trans | -102.1 | 24.3 | 175.8 | -80.2 | -170.8 | -177 | 0 | 0 | 115.5 | ||||
| 431 | N | 23.1 | Very low | 24.4 | Very low | 150 Ų | 150 | 146 Ų | 146 | 80% | 0.802 | 77% | 0.772 | S | S | * | * | trans | -99.2 | 70.6 | 165.4 | -82.6 | -6.9 | 0 | 0 | 0 | 109.9 | T433 | N431-T433 VanDerWaalsContact C-N 3.28Å; N431-T433 PolarHBondContact O-N 3.09Å | ||
| 432 | V | 24.8 | Very low | 24.4 | Very low | 122 Ų | 122 | 144.4 Ų | 144.4 | 74% | 0.739 | 77% | 0.768 | S | S | * | * | trans | -75.1 | 89.7 | 164.3 | 179.9 | 0 | 0 | 0 | 0 | 107.2 | I434 | V432-I434 PolarHBondContact O-N 3.11Š| ||
| 433 | T | 22.7 | Very low | 24.2 | Very low | 116 Ų | 116 | 143.8 Ų | 143.8 | 71% | 0.712 | 77% | 0.771 | S | S | * | * | trans | -67.5 | 99.6 | 169.8 | -48.7 | 0 | 0 | 0 | 0 | 108.1 | N431 | N431-T433 VanDerWaalsContact C-N 3.28Å; N431-T433 PolarHBondContact O-N 3.09Å | ||
| 434 | I | 26.8 | Very low | 24.3 | Very low | 101 Ų | 101 | 142.3 Ų | 142.3 | 52% | 0.518 | 77% | 0.767 | S | S | . | * | trans | -59 | 125.9 | 168.6 | -59.7 | 170.3 | 0 | 0 | 0 | 107.1 | V432 S436 | V432-I434 PolarHBondContact O-N 3.11Å; I434-S436 PolarHBondContact O-N 3.21Å | ||
| 435 | P | 23.3 | Very low | 24 | Very low | 107 Ų | 107 | 139.6 Ų | 139.6 | 70% | 0.695 | 76% | 0.763 | S | S | * | * | trans | -64.4 | 110 | -173.1 | -14.6 | 27 | 0 | 0 | 0 | 110.2 | S437 | P435-S437 PolarHBondContact O-N 3.07Š| ||
| 436 | S | 22.9 | Very low | 23.8 | Very low | 116 Ų | 116 | 142.9 Ų | 142.9 | 81% | 0.811 | 78% | 0.775 | S | S | * | * | trans | -79.3 | 71.9 | 175 | 2.4 | 0 | 0 | 0 | 0 | 108.7 | I434 | I434-S436 PolarHBondContact O-N 3.21Š| ||
| 437 | S | 22.5 | Very low | 23.7 | Very low | 82 Ų | 82 | 141.7 Ų | 141.7 | 57% | 0.573 | 78% | 0.775 | S | S | * | * | trans | -115.9 | 57.2 | 176.8 | 66.7 | 0 | 0 | 0 | 0 | 111.8 | P435 | P435-S437 PolarHBondContact O-N 3.07Š| ||
| 438 | Y | 22.7 | Very low | 23.6 | Very low | 187 Ų | 187 | 137.1 Ų | 137.1 | 73% | 0.733 | 77% | 0.769 | S | S | * | * | trans | -148.3 | 70.4 | 163.2 | -67.5 | -73 | 0 | 0 | 0 | 110.1 | N537 | Y438-N537 PolarHBondContact OH-ND2 3.05Å; Y438-N537 VanDerWaalsContact OH-ND2 3.11Å | ||
| 439 | T | 22.7 | Very low | 23.3 | Very low | 131 Ų | 131 | 139 Ų | 139 | 80% | 0.804 | 78% | 0.775 | S | S | * | * | trans | -130.4 | 98 | 156.8 | 39.8 | 0 | 0 | 0 | 0 | 108 | S441 | T439-S441 PolarHBondContact O-N 2.94Š| ||
| 440 | T | 22.8 | Very low | 23.2 | Very low | 136 Ų | 136 | 136.2 Ų | 136.2 | 83% | 0.834 | 78% | 0.775 | S | S | * | * | trans | -60.4 | 106.9 | 172.3 | -46.6 | 0 | 0 | 0 | 0 | 108 | T442 | T440-T442 PolarHBondContact O-N 2.96Š| ||
| 441 | S | 20.7 | Very low | 23.2 | Very low | 106 Ų | 106 | 132.8 Ų | 132.8 | 74% | 0.741 | 77% | 0.774 | S | S | * | * | trans | -62.1 | 110.1 | 175.9 | 29 | 0 | 0 | 0 | 0 | 111.6 | T439 | T439-S441 PolarHBondContact O-N 2.94Š| ||
| 442 | T | 24.2 | Very low | 23.3 | Very low | 133 Ų | 133 | 130.2 Ų | 130.2 | 82% | 0.816 | 77% | 0.774 | S | S | * | * | trans | -110.2 | 97.1 | 154.4 | 36.5 | 0 | 0 | 0 | 0 | 108.5 | T440 I444 | T440-T442 PolarHBondContact O-N 2.96Å; T442-I444 PolarHBondContact O-N 3.39Å | ||
| 443 | N | 20.9 | Very low | 23.1 | Very low | 154 Ų | 154 | 133.6 Ų | 133.6 | 82% | 0.824 | 79% | 0.787 | S | S | * | * | trans | -58.3 | 117.7 | 170.5 | -81.6 | -33.1 | 0 | 0 | 0 | 110.5 | ||||
| 444 | I | 28.1 | Very low | 23.2 | Very low | 163 Ų | 163 | 132.4 Ų | 132.4 | 84% | 0.836 | 78% | 0.783 | S | S | * | * | trans | -133.9 | 120.5 | 149.1 | -58.4 | -178.7 | 0 | 0 | 0 | 108.4 | T442 | T442-I444 PolarHBondContact O-N 3.39Š| ||
| 445 | D | 23 | Very low | 23 | Very low | 150 Ų | 150 | 134.2 Ų | 134.2 | 80% | 0.802 | 80% | 0.8 | S | S | * | * | trans | -21.5 | 132.6 | -178.7 | -65.2 | -43.7 | 0 | 0 | 0 | 120.3 | ||||
| 446 | Q | 22.2 | Very low | 23.1 | Very low | 191 Ų | 191 | 137.8 Ų | 137.8 | 89% | 0.893 | 80% | 0.804 | S | S | * | * | trans | -69.2 | 129 | 165.9 | -63.4 | 171.6 | -2.9 | 0 | 0 | 110.5 | ||||
| 447 | T | 24.2 | Very low | 23.2 | Very low | 128 Ų | 128 | 138 Ų | 138 | 79% | 0.785 | 80% | 0.801 | S | S | * | * | trans | -154 | 127 | 151.4 | -13.9 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 448 | S | 24.6 | Very low | 23.2 | Very low | 107 Ų | 107 | 139.7 Ų | 139.7 | 75% | 0.748 | 81% | 0.808 | S | S | * | * | trans | 59.1 | 94.1 | 159.2 | 52 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 449 | M | 19.5 | Very low | 23.4 | Very low | 188 Ų | 188 | 136.2 Ų | 136.2 | 93% | 0.926 | 81% | 0.806 | S | S | * | * | 56.6 | 119.8 | 87.1 | -84.7 | -153.1 | 152.6 | 0 | 0 | 117.9 | |||||
| 450 | S | 21.2 | Very low | 23.8 | Very low | 118 Ų | 118 | 133.7 Ų | 133.7 | 83% | 0.825 | 79% | 0.791 | S | S | * | * | trans | 83.2 | 106.5 | 148.7 | 71.1 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 451 | A | 23.6 | Very low | 24.6 | Very low | 102 Ų | 102 | 132.9 Ų | 132.9 | 84% | 0.843 | 79% | 0.786 | S | S | * | * | 143.1 | 103.4 | 119.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 452 | A | 25.2 | Very low | 26.4 | Very low | 97 Ų | 97 | 130.5 Ų | 130.5 | 80% | 0.802 | 77% | 0.767 | S | S | * | * | trans | 169.1 | 112.2 | 137.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | S454 | A452-S454 PolarHBondContact O-N 3.27Å; A452-S454 VanDerWaalsContact O-N 3.09Å | ||
| 453 | L | 22.3 | Very low | 29 | Very low | 192 Ų | 192 | 127.2 Ų | 127.2 | 100% | 1.005 | 74% | 0.744 | S | S | * | * | trans | -58.6 | 105.9 | 162.6 | -94.5 | 70.4 | 0 | 0 | 0 | 108.5 | ||||
| 454 | S | 23.4 | Very low | 32.1 | Very low | 91 Ų | 91 | 120 Ų | 120 | 64% | 0.636 | 71% | 0.705 | S | S | * | * | trans | -128.3 | 122.4 | 157.9 | 171.9 | 0 | 0 | 0 | 0 | 106.1 | A452 K456 | A452-S454 PolarHBondContact O-N 3.27Å; A452-S454 VanDerWaalsContact O-N 3.09Å; S454-K456 PolarHBondContact O-N 3.37Å | ||
| 455 | T | 23.2 | Very low | 35 | Very low | 140 Ų | 140 | 112.4 Ų | 112.4 | 86% | 0.859 | 67% | 0.667 | S | S | * | * | trans | -56.9 | 81.4 | 175.6 | 43.6 | 0 | 0 | 0 | 0 | 109.7 | T457 | T455-T457 PolarHBondContact O-N 3.1Å; T455-T457 VanDerWaalsContact O-N 3.16Å | ||
| 456 | K | 24.9 | Very low | 38.3 | Very low | 181 Ų | 181 | 107 Ų | 107 | 79% | 0.787 | 64% | 0.641 | S | S | * | * | trans | -75.4 | 101.6 | 173.7 | -81.9 | -177.3 | 175 | -179.2 | 0 | 108.2 | S454 T458 | S454-K456 PolarHBondContact O-N 3.37Å; K456-T458 PolarHBondContact O-N 3.32Å | ||
| 457 | T | 24.4 | Very low | 41.5 | Very low | 122 Ų | 122 | 98.7 Ų | 98.7 | 75% | 0.748 | 60% | 0.602 | S | S | * | * | trans | -45.9 | 107.5 | 154.6 | 42.5 | 0 | 0 | 0 | 0 | 108.7 | T455 T459 | T455-T457 PolarHBondContact O-N 3.1Å; T455-T457 VanDerWaalsContact O-N 3.16Å; T457-T459 PolarHBondContact O-N 3.06Å | ||
| 458 | T | 23.8 | Very low | 44.8 | Very low | 117 Ų | 117 | 92.6 Ų | 92.6 | 72% | 0.718 | 57% | 0.565 | S | S | * | * | trans | -72.9 | 95.9 | 176.1 | 47.7 | 0 | 0 | 0 | 0 | 108.6 | K456 T460 | K456-T458 PolarHBondContact O-N 3.32Å; T458-T460 PolarHBondContact O-N 3Å; T458-T460 VanDerWaalsContact O-N 3.15Å | ||
| 459 | T | 26 | Very low | 48.2 | Very low | 113 Ų | 113 | 89.4 Ų | 89.4 | 69% | 0.693 | 54% | 0.537 | S | S | * | . | trans | -71.2 | 96.6 | 167.9 | 40.2 | 0 | 0 | 0 | 0 | 108.5 | T457 T461 | T457-T459 PolarHBondContact O-N 3.06Å; T459-T461 PolarHBondContact O-N 3.37Å | ||
| 460 | T | 31.6 | Very low | 51.7 | Low | 79 Ų | 79 | 86.5 Ų | 86.5 | 49% | 0.485 | 52% | 0.517 | S | S | . | . | trans | -80.8 | 109.6 | 170 | 49.3 | 0 | 0 | 0 | 0 | 108.4 | C369 T458 T462 | C369-T460 PolarHBondContact SG-OG1 2.65Å; T458-T460 PolarHBondContact O-N 3Å; T458-T460 VanDerWaalsContact O-N 3.15Å; T460-T462 PolarHBondContact O-N 3.48Å | ||
| 461 | T | 39.3 | Very low | 55.1 | Low | 119 Ų | 119 | 81 Ų | 81 | 73% | 0.73 | 48% | 0.479 | S | S | * | . | trans | -69 | 93.7 | 170.1 | 52.4 | 0 | 0 | 0 | 0 | 108.7 | T459 | T459-T461 PolarHBondContact O-N 3.37Š| ||
| 462 | T | 58.5 | Low | 58.5 | Low | 56 Ų | 56 | 76.2 Ų | 76.2 | 34% | 0.344 | 44% | 0.439 | S | S | . | . | trans | -80.9 | 136.9 | 170.6 | 34.1 | 0 | 0 | 0 | 0 | 110.6 | T460 | T460-T462 PolarHBondContact O-N 3.48Š| ||
| 463 | D | 78.7 | Confident | 61.8 | Low | 63 Ų | 63 | 73.5 Ų | 73.5 | 34% | 0.337 | 41% | 0.411 | S | S | . | . | trans | -59.4 | 139.1 | 171.1 | -172.6 | 1.6 | 0 | 0 | 0 | 110.5 | F465 S466 L467 H534 | D463-F465 VanDerWaalsContact C-N 3.25Å; D463-F465 PolarHBondContact O-N 3.35Å; D463-S466 WeakPolarHBondContact O-CB 2.98Å; D463-S466 PolarHBondContact O-N 3.02Å; D463-L467 PolarHBondContact O-N 3.39Å; D463-L467 VanDerWaalsContact O-N 3.13Å; D463-H534 IonicContact OD2-CD2 3.1Å; D463-H534 IonicContact OD2-NE2 2.6Å; D463-H534 PolarHBondContact OD2-NE2 2.96Å | ||
| 464 | L | 86.5 | Confident | 65.2 | Low | 2 Ų | 2 | 67.8 Ų | 67.8 | 1% | 0.01 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -54.2 | -43.8 | -177.5 | -172.2 | 54.3 | 0 | 0 | 0 | 111.6 | L319 L322 V353 L363 I365 S466 L467 F468 L529 I533 | L319-L464 HydrophobicContact CD2-CD1 3.96Å; L319-L464 HydrophobicContact CD2-CD2 4.46Å; L322-L464 HydrophobicContact CD2-CD1 3.77Å; V353-L464 HydrophobicContact CG2-CD2 3.5Å; L363-L464 HydrophobicContact CD2-CD2 4.34Å; I365-L464 HydrophobicContact CD1-CB 3.41Å; I365-L464 VanDerWaalsContact CD1-CB 3.41Å; I365-L464 HydrophobicContact CD1-CD1 3.74Å; I365-L464 HydrophobicContact CD1-CD2 4.04Å; I365-L464 HydrophobicContact CD1-CG 3.88Å; L464-S466 VanDerWaalsContact C-N 3.33Å; L464-S466 PolarHBondContact O-N 2.81Å; L464-L467 PolarHBondContact O-N 3.2Å; L464-F468 HydrophobicContact CD1-CD2 3.78Å; L464-F468 HydrophobicContact CD1-CE2 3.51Å; L464-F468 HydrophobicContact CD1-CZ 4.42Å; L464-F468 HydrophobicContact CD2-CE2 4.16Å; L464-F468 HydrophobicContact CG-CD2 3.77Å; L464-F468 HydrophobicContact CG-CE2 3.7Å; L464-F468 WeakPolarHBondContact O-CD2 3.15Å; L464-F468 PolarHBondContact O-N 2.76Å; L464-L529 HydrophobicContact CD2-CD1 4.27Å; L464-L529 HydrophobicContact CD2-CD2 4.49Å; L464-L529 HydrophobicContact CG-CD2 4.32Å; L464-I533 HydrophobicContact CB-CD1 4.14Å |
| 465 | F | 89.7 | Confident | 68.5 | Low | 5 Ų | 5 | 63.6 Ų | 63.6 | 2% | 0.022 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -59.3 | -45.7 | 178.1 | 175.2 | -91.8 | 0 | 0 | 0 | 111.1 | D463 L467 F468 F469 L526 A530 I533 L541 | D463-F465 VanDerWaalsContact C-N 3.25Å; D463-F465 PolarHBondContact O-N 3.35Å; F465-L467 VanDerWaalsContact C-N 3.32Å; F465-L467 PolarHBondContact O-N 3.15Å; F465-F468 PolarHBondContact O-N 3.44Å; F465-F469 HydrophobicContact CE1-CB 4.18Å; F465-F469 HydrophobicContact CE1-CG 4.42Å; F465-F469 HydrophobicContact CZ-CB 4.42Å; F465-F469 HydrophobicContact CZ-CD2 4.33Å; F465-F469 WeakPolarHBondContact O-CB 3.05Å; F465-F469 PolarHBondContact O-N 3.43Å; F465-L526 HydrophobicContact CE2-CB 4.21Å; F465-L526 WeakPolarHBondContact CE2-O 3.42Å; F465-A530 HydrophobicContact CD2-CB 3.83Å; F465-A530 HydrophobicContact CE2-CB 3.7Å; F465-A530 HydrophobicContact CZ-CB 4.49Å; F465-I533 HydrophobicContact CB-CD1 4.14Å; F465-L541 HydrophobicContact CD1-CD1 4.24Å; F465-L541 HydrophobicContact CD1-CD2 3.88Å; F465-L541 HydrophobicContact CD1-CG 4.47Å; F465-L541 HydrophobicContact CE1-CB 4Å; F465-L541 HydrophobicContact CE1-CD1 4.45Å; F465-L541 HydrophobicContact CE1-CD2 3.66Å; F465-L541 HydrophobicContact CE1-CG 4.24Å; F465-L541 HydrophobicContact CE2-CB 4.39Å; F465-L541 HydrophobicContact CG-CD1 4.42Å; F465-L541 HydrophobicContact CZ-CB 3.87Å; F465-L541 HydrophobicContact CZ-CD2 4.4Å |
| 466 | S | 90.9 | Very high | 71.8 | Confident | 37 Ų | 37 | 57.1 Ų | 57.1 | 26% | 0.259 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -63.6 | -39.8 | -178.2 | -63.9 | 0 | 0 | 0 | 0 | 111.6 | D463 L464 Y470 | D463-S466 WeakPolarHBondContact O-CB 2.98Å; D463-S466 PolarHBondContact O-N 3.02Å; L464-S466 VanDerWaalsContact C-N 3.33Å; L464-S466 PolarHBondContact O-N 2.81Å; S466-Y470 WeakPolarHBondContact O-CB 3.31Å; S466-Y470 PolarHBondContact O-N 3.29Å |
| 467 | L | 90.1 | Very high | 74.9 | Confident | 15 Ų | 15 | 53 Ų | 53 | 8% | 0.079 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -64.9 | -49.7 | 176.9 | -178.9 | 68.4 | 0 | 0 | 0 | 111.5 | L322 P323 V367 D463 L464 F465 Y470 E471 | L322-L467 HydrophobicContact CB-CD2 4.23Å; L322-L467 HydrophobicContact CD2-CD2 3.64Å; L322-L467 HydrophobicContact CD2-CG 4.44Å; L322-L467 HydrophobicContact CG-CD2 4Å; P323-L467 HydrophobicContact CG-CD1 4.18Å; P323-L467 HydrophobicContact CG-CD2 4.19Å; V367-L467 HydrophobicContact CG1-CD2 4.23Å; V367-L467 HydrophobicContact CG2-CD2 4.12Å; D463-L467 PolarHBondContact O-N 3.39Å; D463-L467 VanDerWaalsContact O-N 3.13Å; L464-L467 PolarHBondContact O-N 3.2Å; F465-L467 VanDerWaalsContact C-N 3.32Å; F465-L467 PolarHBondContact O-N 3.15Å; L467-Y470 PolarHBondContact O-N 2.87Å; L467-E471 HydrophobicContact CD1-CG 4.34Å; L467-E471 WeakPolarHBondContact O-CG 3.39Å; L467-E471 PolarHBondContact O-N 3.49Å |
| 468 | F | 94.1 | Very high | 78 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62.4 | -45.6 | 177.6 | -85.6 | -59.2 | 0 | 0 | 0 | 112.1 | L322 L326 L345 I346 L349 L464 F465 Y470 E471 V472 L526 L529 | L322-F468 HydrophobicContact CD1-CD1 4.38Å; L322-F468 HydrophobicContact CD1-CE1 3.61Å; L322-F468 HydrophobicContact CD1-CZ 3.98Å; L322-F468 HydrophobicContact CD2-CD1 4.2Å; L322-F468 HydrophobicContact CD2-CD2 4.34Å; L322-F468 HydrophobicContact CD2-CE1 3.8Å; L322-F468 HydrophobicContact CD2-CE2 3.97Å; L322-F468 HydrophobicContact CD2-CG 4.46Å; L322-F468 HydrophobicContact CD2-CZ 3.69Å; L322-F468 HydrophobicContact CG-CE1 4.24Å; L322-F468 HydrophobicContact CG-CZ 4.49Å; L326-F468 HydrophobicContact CD1-CD1 3.83Å; L326-F468 HydrophobicContact CD1-CE1 4.15Å; L345-F468 HydrophobicContact CG-CE1 4.45Å; I346-F468 HydrophobicContact CB-CE1 4.35Å; I346-F468 HydrophobicContact CB-CZ 4.38Å; I346-F468 HydrophobicContact CD1-CD1 4.3Å; I346-F468 HydrophobicContact CG1-CD1 3.67Å; I346-F468 HydrophobicContact CG1-CE1 3.49Å; I346-F468 VanDerWaalsContact CG1-CE1 3.49Å; I346-F468 HydrophobicContact CG1-CG 4.3Å; I346-F468 HydrophobicContact CG1-CZ 4Å; I346-F468 HydrophobicContact CG2-CE2 4.4Å; I346-F468 HydrophobicContact CG2-CZ 4.43Å; L349-F468 HydrophobicContact CB-CE2 4.43Å; L349-F468 HydrophobicContact CB-CZ 4.22Å; L349-F468 HydrophobicContact CD1-CE2 4.34Å; L349-F468 HydrophobicContact CD1-CZ 3.63Å; L464-F468 HydrophobicContact CD1-CD2 3.78Å; L464-F468 HydrophobicContact CD1-CE2 3.51Å; L464-F468 HydrophobicContact CD1-CZ 4.42Å; L464-F468 HydrophobicContact CD2-CE2 4.16Å; L464-F468 HydrophobicContact CG-CD2 3.77Å; L464-F468 HydrophobicContact CG-CE2 3.7Å; L464-F468 WeakPolarHBondContact O-CD2 3.15Å; L464-F468 PolarHBondContact O-N 2.76Å; F465-F468 PolarHBondContact O-N 3.44Å; F468-Y470 VanDerWaalsContact C-N 3.32Å; F468-Y470 PolarHBondContact O-N 3.4Å; F468-E471 PolarHBondContact O-N 3.44Å; F468-V472 VanDerWaalsContact O-CB 3.23Å; F468-V472 WeakPolarHBondContact O-CB 3.21Å; F468-V472 WeakPolarHBondContact O-CG2 3.35Å; F468-V472 PolarHBondContact O-N 3Å; F468-L526 HydrophobicContact CB-CD2 3.53Å; F468-L526 HydrophobicContact CG-CD2 4.35Å; F468-L529 HydrophobicContact CD2-CD2 3.5Å; F468-L529 VanDerWaalsContact CD2-CD2 3.5Å; F468-L529 HydrophobicContact CE2-CD2 3.94Å; F468-L529 HydrophobicContact CG-CD2 4.45Å |
| 469 | F | 94.5 | Very high | 81.2 | Confident | 40 Ų | 40 | 43.5 Ų | 43.5 | 18% | 0.175 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -57.2 | -47.2 | 177.8 | -179.2 | -100.1 | 0 | 0 | 0 | 111 | F465 N473 Y523 L526 I544 A548 | F465-F469 HydrophobicContact CE1-CB 4.18Å; F465-F469 HydrophobicContact CE1-CG 4.42Å; F465-F469 HydrophobicContact CZ-CB 4.42Å; F465-F469 HydrophobicContact CZ-CD2 4.33Å; F465-F469 WeakPolarHBondContact O-CB 3.05Å; F465-F469 PolarHBondContact O-N 3.43Å; F469-N473 VanDerWaalsContact CD1-ND2 3.33Å; F469-N473 WeakPolarHBondContact CD1-ND2 3.38Å; F469-N473 WeakPolarHBondContact CE1-ND2 3.26Å; F469-N473 WeakPolarHBondContact CZ-ND2 3.42Å; F469-N473 WeakPolarHBondContact O-CB 3.46Å; F469-N473 VanDerWaalsContact O-CG 3.27Å; F469-N473 PolarHBondContact O-N 3.39Å; F469-N473 PolarHBondContact O-ND2 2.7Å; F469-Y523 HydrophobicContact CD2-CE1 4.37Å; F469-Y523 HydrophobicContact CE2-CD1 4.47Å; F469-Y523 AromaticContact CE2-CE1 3.97Å; F469-Y523 HydrophobicContact CE2-CE1 3.97Å; F469-L526 HydrophobicContact CD2-CD1 4.26Å; F469-I544 HydrophobicContact CD1-CG2 4.42Å; F469-I544 HydrophobicContact CD2-CG2 4.28Å; F469-I544 HydrophobicContact CE1-CG2 3.66Å; F469-I544 HydrophobicContact CE2-CG2 3.52Å; F469-I544 HydrophobicContact CZ-CG2 3.16Å; F469-A548 HydrophobicContact CE2-CB 3.96Å; F469-A548 HydrophobicContact CZ-CB 3.96Å |
| 470 | Y | 93.6 | Very high | 84.1 | Confident | 127 Ų | 127 | 38.5 Ų | 38.5 | 50% | 0.498 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -60.7 | -53.3 | 177.3 | 177.6 | -97.9 | 0 | 0 | 0 | 112.2 | S466 L467 F468 V472 N473 Q474 | S466-Y470 WeakPolarHBondContact O-CB 3.31Å; S466-Y470 PolarHBondContact O-N 3.29Å; L467-Y470 PolarHBondContact O-N 2.87Å; F468-Y470 VanDerWaalsContact C-N 3.32Å; F468-Y470 PolarHBondContact O-N 3.4Å; Y470-V472 PolarHBondContact O-N 2.86Å; Y470-N473 PolarHBondContact O-N 2.98Å; Y470-Q474 HydrophobicContact CD1-CG 4.46Å; Y470-Q474 HydrophobicContact CE1-CG 4.05Å; Y470-Q474 HydrophobicContact CE2-CG 4.41Å; Y470-Q474 WeakPolarHBondContact O-CG 3.31Å; Y470-Q474 PolarHBondContact O-N 3.14Å; Y470-Q474 VanDerWaalsContact O-N 3.1Å; Y470-Q474 PolarHBondContact OH-NE2 3.29Å |
| 471 | E | 93.5 | Very high | 86.8 | Confident | 4 Ų | 4 | 37 Ų | 37 | 2% | 0.019 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -69.1 | -35.4 | -175.4 | -67.7 | -68.4 | 169.1 | 0 | 0 | 112.2 | L326 R327 L467 F468 Q474 I475 | L326-E471 HydrophobicContact CB-CB 3.89Å; L326-E471 HydrophobicContact CB-CG 4.27Å; L326-E471 HydrophobicContact CD1-CB 3.54Å; L326-E471 HydrophobicContact CD1-CG 4.02Å; L326-E471 HydrophobicContact CG-CB 4.31Å; R327-E471 WeakPolarHBondContact CG-OE2 3.3Å; R327-E471 IonicContact CZ-OE1 3.98Å; R327-E471 IonicContact NE-OE1 3.53Å; R327-E471 PolarHBondContact NE-OE1 3.45Å; R327-E471 IonicContact NE-OE2 3.61Å; R327-E471 IonicContact NH2-OE1 2.78Å; R327-E471 PolarHBondContact NH2-OE1 3.05Å; L467-E471 HydrophobicContact CD1-CG 4.34Å; L467-E471 WeakPolarHBondContact O-CG 3.39Å; L467-E471 PolarHBondContact O-N 3.49Å; F468-E471 PolarHBondContact O-N 3.44Å; E471-Q474 PolarHBondContact O-N 3.31Å; E471-I475 VanDerWaalsContact O-CG1 3.31Å; E471-I475 WeakPolarHBondContact O-CG1 2.89Å; E471-I475 PolarHBondContact O-N 3.35Å |
| 472 | V | 94.6 | Very high | 88.9 | Confident | 1 Ų | 1 | 34.1 Ų | 34.1 | 1% | 0.006 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -63.9 | -43.1 | 173.5 | 169.2 | 0 | 0 | 0 | 0 | 111.3 | V342 I346 F468 Y470 Q474 I475 I476 F522 L526 | V342-V472 HydrophobicContact CG1-CG2 3.94Å; I346-V472 HydrophobicContact CD1-CG2 4.03Å; F468-V472 VanDerWaalsContact O-CB 3.23Å; F468-V472 WeakPolarHBondContact O-CB 3.21Å; F468-V472 WeakPolarHBondContact O-CG2 3.35Å; F468-V472 PolarHBondContact O-N 3Å; Y470-V472 PolarHBondContact O-N 2.86Å; V472-Q474 VanDerWaalsContact C-N 3.28Å; V472-Q474 PolarHBondContact O-N 3.44Å; V472-I475 PolarHBondContact O-N 3.27Å; V472-I476 HydrophobicContact CG1-CD1 3.79Å; V472-I476 HydrophobicContact CG1-CG1 4.42Å; V472-I476 WeakPolarHBondContact O-CG1 3.47Å; V472-I476 PolarHBondContact O-N 3.23Å; V472-F522 HydrophobicContact CG1-CB 3.86Å; V472-F522 HydrophobicContact CG1-CG 4.39Å; V472-L526 HydrophobicContact CB-CD1 4.14Å; V472-L526 HydrophobicContact CG1-CD1 4.07Å; V472-L526 HydrophobicContact CG2-CD1 4.27Å |
| 473 | N | 94.3 | Very high | 90.2 | Very high | 40 Ų | 40 | 31.6 Ų | 31.6 | 21% | 0.214 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -59.4 | -41.3 | 174.5 | -78.2 | -42.5 | 0 | 0 | 0 | 111.6 | F469 Y470 I475 I476 H477 Y523 | F469-N473 VanDerWaalsContact CD1-ND2 3.33Å; F469-N473 WeakPolarHBondContact CD1-ND2 3.38Å; F469-N473 WeakPolarHBondContact CE1-ND2 3.26Å; F469-N473 WeakPolarHBondContact CZ-ND2 3.42Å; F469-N473 WeakPolarHBondContact O-CB 3.46Å; F469-N473 VanDerWaalsContact O-CG 3.27Å; F469-N473 PolarHBondContact O-N 3.39Å; F469-N473 PolarHBondContact O-ND2 2.7Å; Y470-N473 PolarHBondContact O-N 2.98Å; N473-I475 VanDerWaalsContact C-N 3.34Å; N473-I475 PolarHBondContact O-N 3.27Å; N473-I476 PolarHBondContact O-N 2.85Å; N473-H477 VanDerWaalsContact O-CB 3.29Å; N473-H477 WeakPolarHBondContact O-CB 3.31Å; N473-H477 PolarHBondContact O-N 2.9Å; N473-Y523 PolarHBondContact OD1-OH 3.42Å |
| 474 | Q | 93.4 | Very high | 90.4 | Very high | 72 Ų | 72 | 32.6 Ų | 32.6 | 34% | 0.336 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -65 | -38.3 | 177.3 | -63.9 | -65.7 | 34.8 | 0 | 0 | 112.3 | Y470 E471 V472 A478 | Y470-Q474 HydrophobicContact CD1-CG 4.46Å; Y470-Q474 HydrophobicContact CE1-CG 4.05Å; Y470-Q474 HydrophobicContact CE2-CG 4.41Å; Y470-Q474 WeakPolarHBondContact O-CG 3.31Å; Y470-Q474 PolarHBondContact O-N 3.14Å; Y470-Q474 VanDerWaalsContact O-N 3.1Å; Y470-Q474 PolarHBondContact OH-NE2 3.29Å; E471-Q474 PolarHBondContact O-N 3.31Å; V472-Q474 VanDerWaalsContact C-N 3.28Å; V472-Q474 PolarHBondContact O-N 3.44Å; Q474-A478 WeakPolarHBondContact O-CB 3.21Å; Q474-A478 PolarHBondContact O-N 2.93Å |
| 475 | I | 92.4 | Very high | 90.2 | Very high | 2 Ų | 2 | 36.8 Ų | 36.8 | 1% | 0.01 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -63.1 | -48.2 | 175.1 | -69.2 | 165.1 | 0 | 0 | 0 | 111.1 | L326 C329 N330 L338 V342 E471 V472 N473 A478 R479 | L326-I475 HydrophobicContact CB-CD1 4.44Å; L326-I475 HydrophobicContact CD2-CD1 4.17Å; C329-I475 HydrophobicContact CB-CD1 3.95Å; C329-I475 HydrophobicContact CB-CG1 4.23Å; N330-I475 WeakPolarHBondContact OD1-CA 3.4Å; N330-I475 WeakPolarHBondContact OD1-CG1 3.41Å; L338-I475 HydrophobicContact CD1-CG2 3.52Å; V342-I475 HydrophobicContact CG2-CD1 4.11Å; E471-I475 VanDerWaalsContact O-CG1 3.31Å; E471-I475 WeakPolarHBondContact O-CG1 2.89Å; E471-I475 PolarHBondContact O-N 3.35Å; V472-I475 PolarHBondContact O-N 3.27Å; N473-I475 VanDerWaalsContact C-N 3.34Å; N473-I475 PolarHBondContact O-N 3.27Å; I475-A478 PolarHBondContact O-N 3.04Å; I475-R479 PolarHBondContact O-N 3.39Å; I475-R479 VanDerWaalsContact O-N 3.08Å |
| 476 | I | 92.4 | Very high | 89.8 | Confident | 4 Ų | 4 | 38.4 Ų | 38.4 | 2% | 0.021 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -61.7 | -49.7 | 178.9 | -67.6 | 168 | 0 | 0 | 0 | 109.9 | V472 N473 A478 R479 L480 L514 F522 Y523 A552 | V472-I476 HydrophobicContact CG1-CD1 3.79Å; V472-I476 HydrophobicContact CG1-CG1 4.42Å; V472-I476 WeakPolarHBondContact O-CG1 3.47Å; V472-I476 PolarHBondContact O-N 3.23Å; N473-I476 PolarHBondContact O-N 2.85Å; I476-A478 PolarHBondContact O-N 3.4Å; I476-R479 PolarHBondContact O-N 3.44Å; I476-L480 HydrophobicContact CG2-CD1 3.67Å; I476-L480 HydrophobicContact CG2-CG 4.24Å; I476-L480 WeakPolarHBondContact O-CB 3.38Å; I476-L480 WeakPolarHBondContact O-CG 3.18Å; I476-L480 PolarHBondContact O-N 3.2Å; I476-L514 HydrophobicContact CG2-CD2 4.5Å; I476-F522 HydrophobicContact CD1-CB 4.42Å; I476-F522 HydrophobicContact CD1-CD2 3.9Å; I476-F522 HydrophobicContact CG1-CD2 3.86Å; I476-F522 HydrophobicContact CG1-CE2 4.25Å; I476-Y523 HydrophobicContact CD1-CD2 4.48Å; I476-Y523 HydrophobicContact CD1-CE2 3.62Å; I476-Y523 WeakPolarHBondContact CD1-OH 3.49Å; I476-A552 HydrophobicContact CG2-CB 4.07Å |
| 477 | H | 91.3 | Very high | 89.3 | Confident | 96 Ų | 96 | 37.8 Ų | 37.8 | 44% | 0.444 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -60.8 | -44.5 | 179.9 | -175.8 | -76.6 | 0 | 0 | 0 | 112.3 | N473 R479 L480 T481 | N473-H477 VanDerWaalsContact O-CB 3.29Å; N473-H477 WeakPolarHBondContact O-CB 3.31Å; N473-H477 PolarHBondContact O-N 2.9Å; H477-R479 VanDerWaalsContact C-N 3.34Å; H477-R479 PolarHBondContact O-N 3.11Å; H477-L480 PolarHBondContact O-N 3.32Å; H477-T481 PolarHBondContact CE1-OG1 3.22Å; H477-T481 PolarHBondContact ND1-OG1 3.27Å; H477-T481 WeakPolarHBondContact O-CB 3.23Å; H477-T481 PolarHBondContact O-N 3.46Å; H477-T481 PolarHBondContact O-OG1 3.28Å |
| 478 | A | 89.6 | Confident | 88.8 | Confident | 33 Ų | 33 | 41 Ų | 41 | 27% | 0.273 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -60.7 | -43.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q474 I475 I476 L482 | Q474-A478 WeakPolarHBondContact O-CB 3.21Å; Q474-A478 PolarHBondContact O-N 2.93Å; I475-A478 PolarHBondContact O-N 3.04Å; I476-A478 PolarHBondContact O-N 3.4Å; A478-L482 WeakPolarHBondContact O-CG 3.47Å; A478-L482 PolarHBondContact O-N 2.84Å; A478-L482 VanDerWaalsContact O-N 3.16Å |
| 479 | R | 89.8 | Confident | 88 | Confident | 5 Ų | 5 | 46 Ų | 46 | 2% | 0.019 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -69.8 | -39.6 | 176.8 | -73.8 | -57.1 | -159.6 | -156 | 4.8 | 112.8 | L332 Q333 L338 I475 I476 H477 L482 C483 N512 L514 | L332-R479 PolarHBondContact O-NH1 3.42Å; Q333-R479 PolarHBondContact O-NH2 3.22Å; L338-R479 HydrophobicContact CD1-CG 3.93Å; I475-R479 PolarHBondContact O-N 3.39Å; I475-R479 VanDerWaalsContact O-N 3.08Å; I476-R479 PolarHBondContact O-N 3.44Å; H477-R479 VanDerWaalsContact C-N 3.34Å; H477-R479 PolarHBondContact O-N 3.11Å; R479-L482 WeakPolarHBondContact O-CB 3.3Å; R479-L482 PolarHBondContact O-N 3.33Å; R479-C483 PolarHBondContact O-N 2.83Å; R479-C483 PolarHBondContact O-SG 2.92Å; R479-N512 WeakPolarHBondContact CD-O 3.5Å; R479-L514 HydrophobicContact CB-CB 3.94Å; R479-L514 HydrophobicContact CB-CD2 3.73Å; R479-L514 HydrophobicContact CB-CG 4.36Å; R479-L514 HydrophobicContact CG-CB 4.4Å |
| 480 | L | 88.1 | Confident | 87.1 | Confident | 8 Ų | 8 | 47.1 Ų | 47.1 | 4% | 0.042 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -61.5 | -44.2 | 174.4 | -73.1 | 173.2 | 0 | 0 | 0 | 111.5 | I476 H477 L482 C483 E484 L514 A552 V556 | I476-L480 HydrophobicContact CG2-CD1 3.67Å; I476-L480 HydrophobicContact CG2-CG 4.24Å; I476-L480 WeakPolarHBondContact O-CB 3.38Å; I476-L480 WeakPolarHBondContact O-CG 3.18Å; I476-L480 PolarHBondContact O-N 3.2Å; H477-L480 PolarHBondContact O-N 3.32Å; L480-L482 VanDerWaalsContact C-N 3.28Å; L480-L482 PolarHBondContact O-N 2.85Å; L480-C483 WeakPolarHBondContact O-CA 3.47Å; L480-C483 VanDerWaalsContact O-CB 3.25Å; L480-C483 WeakPolarHBondContact O-CB 3.39Å; L480-C483 PolarHBondContact O-N 3.2Å; L480-E484 PolarHBondContact O-N 2.78Å; L480-L514 HydrophobicContact CD2-CD2 4.07Å; L480-L514 HydrophobicContact CG-CD2 4.03Å; L480-A552 HydrophobicContact CD1-CB 4.2Å; L480-V556 HydrophobicContact CD2-CG2 3.45Å; L480-V556 VanDerWaalsContact CD2-CG2 3.45Å |
| 481 | T | 86.9 | Confident | 85.9 | Confident | 47 Ų | 47 | 44.6 Ų | 44.6 | 29% | 0.288 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -58.3 | -40.6 | 175 | -53.3 | 0 | 0 | 0 | 0 | 111.4 | H477 C483 E484 L485 | H477-T481 PolarHBondContact CE1-OG1 3.22Å; H477-T481 PolarHBondContact ND1-OG1 3.27Å; H477-T481 WeakPolarHBondContact O-CB 3.23Å; H477-T481 PolarHBondContact O-N 3.46Å; H477-T481 PolarHBondContact O-OG1 3.28Å; T481-C483 VanDerWaalsContact C-N 3.33Å; T481-C483 PolarHBondContact O-N 2.74Å; T481-E484 PolarHBondContact O-N 2.79Å; T481-L485 HydrophobicContact CG2-CD1 4.38Å; T481-L485 WeakPolarHBondContact O-CG 3.23Å; T481-L485 PolarHBondContact O-N 2.77Å |
| 482 | L | 85.1 | Confident | 84.3 | Confident | 59 Ų | 59 | 51.2 Ų | 51.2 | 31% | 0.309 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -64.9 | -36.2 | 174.6 | -70.9 | 173.8 | 0 | 0 | 0 | 112.5 | V334 A478 R479 L480 T486 | V334-L482 HydrophobicContact CG2-CD1 4.44Å; A478-L482 WeakPolarHBondContact O-CG 3.47Å; A478-L482 PolarHBondContact O-N 2.84Å; A478-L482 VanDerWaalsContact O-N 3.16Å; R479-L482 WeakPolarHBondContact O-CB 3.3Å; R479-L482 PolarHBondContact O-N 3.33Å; L480-L482 VanDerWaalsContact C-N 3.28Å; L480-L482 PolarHBondContact O-N 2.85Å; L482-T486 WeakPolarHBondContact O-CB 3.28Å; L482-T486 PolarHBondContact O-N 3.41Å; L482-T486 PolarHBondContact O-OG1 3.42Å |
| 483 | C | 83.9 | Confident | 82.5 | Confident | 4 Ų | 4 | 55.5 Ų | 55.5 | 3% | 0.027 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -62.6 | -45.9 | 174.8 | -60.3 | 0 | 0 | 0 | 0 | 111.1 | R479 L480 T481 T486 L487 V508 A509 N512 | R479-C483 PolarHBondContact O-N 2.83Å; R479-C483 PolarHBondContact O-SG 2.92Å; L480-C483 WeakPolarHBondContact O-CA 3.47Å; L480-C483 VanDerWaalsContact O-CB 3.25Å; L480-C483 WeakPolarHBondContact O-CB 3.39Å; L480-C483 PolarHBondContact O-N 3.2Å; T481-C483 VanDerWaalsContact C-N 3.33Å; T481-C483 PolarHBondContact O-N 2.74Å; C483-T486 PolarHBondContact O-N 2.77Å; C483-L487 WeakPolarHBondContact O-CB 3.27Å; C483-L487 PolarHBondContact O-N 3.42Å; C483-V508 HydrophobicContact CB-CG1 4.16Å; C483-V508 WeakPolarHBondContact O-CG1 3.08Å; C483-A509 VanDerWaalsContact SG-CA 3.6Å; C483-N512 VanDerWaalsContact SG-CB 3.58Å |
| 484 | E | 82.9 | Confident | 80.4 | Confident | 83 Ų | 83 | 57.2 Ų | 57.2 | 39% | 0.388 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -61.1 | -46.9 | 177.7 | -66 | -176.1 | 145 | 0 | 0 | 112 | L480 T481 T486 L487 N488 H555 | L480-E484 PolarHBondContact O-N 2.78Å; T481-E484 PolarHBondContact O-N 2.79Å; E484-T486 VanDerWaalsContact C-N 3.32Å; E484-T486 PolarHBondContact O-N 2.59Å; E484-L487 PolarHBondContact O-N 2.66Å; E484-N488 WeakPolarHBondContact O-CB 3.17Å; E484-N488 VanDerWaalsContact O-CG 3.24Å; E484-N488 PolarHBondContact O-N 3.07Å; E484-N488 PolarHBondContact O-ND2 3.42Å; E484-H555 IonicContact OE1-CE1 2.87Å; E484-H555 PolarHBondContact OE1-CE1 2.98Å; E484-H555 VanDerWaalsContact OE1-CE1 3.27Å; E484-H555 IonicContact OE1-NE2 3.43Å; E484-H555 PolarHBondContact OE1-NE2 3.44Å; E484-H555 VanDerWaalsContact OE1-NE2 3.16Å |
| 485 | L | 82.9 | Confident | 78.3 | Confident | 91 Ų | 91 | 58.8 Ų | 58.8 | 48% | 0.476 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -60.5 | -42.7 | 176.8 | -70.3 | 173.2 | 0 | 0 | 0 | 111.6 | T481 N488 N489 | T481-L485 HydrophobicContact CG2-CD1 4.38Å; T481-L485 WeakPolarHBondContact O-CG 3.23Å; T481-L485 PolarHBondContact O-N 2.77Å; L485-N488 PolarHBondContact O-N 3.19Å; L485-N489 WeakPolarHBondContact O-CB 3.33Å; L485-N489 VanDerWaalsContact O-CG 3.24Å; L485-N489 PolarHBondContact O-N 2.68Å; L485-N489 PolarHBondContact O-ND2 3.09Å; L485-N489 VanDerWaalsContact O-ND2 3.1Å |
| 486 | T | 81.8 | Confident | 76.3 | Confident | 38 Ų | 38 | 65.4 Ų | 65.4 | 23% | 0.233 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -63.8 | -44 | 177.3 | -56.2 | 0 | 0 | 0 | 0 | 111.1 | L482 C483 E484 N489 L490 V508 N512 | L482-T486 WeakPolarHBondContact O-CB 3.28Å; L482-T486 PolarHBondContact O-N 3.41Å; L482-T486 PolarHBondContact O-OG1 3.42Å; C483-T486 PolarHBondContact O-N 2.77Å; E484-T486 VanDerWaalsContact C-N 3.32Å; E484-T486 PolarHBondContact O-N 2.59Å; T486-N489 PolarHBondContact O-N 3.13Å; T486-L490 HydrophobicContact CG2-CD1 3.98Å; T486-L490 VanDerWaalsContact O-CG 3.31Å; T486-L490 WeakPolarHBondContact O-CG 3.2Å; T486-L490 PolarHBondContact O-N 3.06Å; T486-V508 HydrophobicContact CG2-CG1 3.84Å; T486-N512 PolarHBondContact OG1-ND2 3.09Å; T486-N512 PolarHBondContact OG1-OD1 3.32Å |
| 487 | L | 80.6 | Confident | 74.2 | Confident | 24 Ų | 24 | 72.9 Ų | 72.9 | 13% | 0.126 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -61.5 | -47.6 | 177.6 | -174.5 | 72.3 | 0 | 0 | 0 | 111.2 | C483 E484 N489 L490 Q491 I505 V508 | C483-L487 WeakPolarHBondContact O-CB 3.27Å; C483-L487 PolarHBondContact O-N 3.42Å; E484-L487 PolarHBondContact O-N 2.66Å; L487-N489 VanDerWaalsContact C-N 3.33Å; L487-N489 PolarHBondContact O-N 3.26Å; L487-L490 PolarHBondContact O-N 3.49Å; L487-Q491 WeakPolarHBondContact O-CB 3.43Å; L487-Q491 VanDerWaalsContact O-CG 3.24Å; L487-Q491 WeakPolarHBondContact O-CG 3.48Å; L487-Q491 PolarHBondContact O-N 3.29Å; L487-I505 HydrophobicContact CD2-CD1 4.34Å; L487-I505 HydrophobicContact CD2-CG1 3.83Å; L487-V508 HydrophobicContact CD1-CG2 4Å |
| 488 | N | 79 | Confident | 72 | Confident | 82 Ų | 82 | 74.8 Ų | 74.8 | 44% | 0.439 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -60.6 | -42.5 | 179.1 | -71.7 | -23.7 | 0 | 0 | 0 | 111.7 | E484 L485 Q491 L492 | E484-N488 WeakPolarHBondContact O-CB 3.17Å; E484-N488 VanDerWaalsContact O-CG 3.24Å; E484-N488 PolarHBondContact O-N 3.07Å; E484-N488 PolarHBondContact O-ND2 3.42Å; L485-N488 PolarHBondContact O-N 3.19Å; N488-Q491 PolarHBondContact O-N 3.16Å; N488-L492 WeakPolarHBondContact O-CG 3.29Å; N488-L492 PolarHBondContact O-N 2.76Å |
| 489 | N | 77.8 | Confident | 70 | Confident | 106 Ų | 106 | 80.8 Ų | 80.8 | 57% | 0.567 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -64.9 | -41.5 | 177.1 | -72.2 | -29.6 | 0 | 0 | 0 | 112.4 | L485 T486 L487 L492 S493 | L485-N489 WeakPolarHBondContact O-CB 3.33Å; L485-N489 VanDerWaalsContact O-CG 3.24Å; L485-N489 PolarHBondContact O-N 2.68Å; L485-N489 PolarHBondContact O-ND2 3.09Å; L485-N489 VanDerWaalsContact O-ND2 3.1Å; T486-N489 PolarHBondContact O-N 3.13Å; L487-N489 VanDerWaalsContact C-N 3.33Å; L487-N489 PolarHBondContact O-N 3.26Å; N489-L492 PolarHBondContact O-N 3.26Å; N489-S493 PolarHBondContact O-N 3.35Å; N489-S493 VanDerWaalsContact O-N 3.16Å |
| 490 | L | 75.4 | Confident | 68 | Low | 63 Ų | 63 | 90.5 Ų | 90.5 | 33% | 0.33 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -66.6 | -38.3 | 177.1 | -70.7 | 169.9 | 0 | 0 | 0 | 111.7 | T486 L487 S493 S494 P503 V508 | T486-L490 HydrophobicContact CG2-CD1 3.98Å; T486-L490 VanDerWaalsContact O-CG 3.31Å; T486-L490 WeakPolarHBondContact O-CG 3.2Å; T486-L490 PolarHBondContact O-N 3.06Å; L487-L490 PolarHBondContact O-N 3.49Å; L490-S493 PolarHBondContact O-N 2.97Å; L490-S493 PolarHBondContact O-OG 3.05Å; L490-S494 PolarHBondContact O-N 2.65Å; L490-P503 HydrophobicContact CB-CG 4.26Å; L490-P503 HydrophobicContact CD1-CG 3.9Å; L490-V508 HydrophobicContact CD1-CG2 4.31Å |
| 491 | Q | 68.3 | Low | 66.4 | Low | 75 Ų | 75 | 95.8 Ų | 95.8 | 35% | 0.35 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.5 | -39.8 | 176.3 | -71.7 | 179.5 | 9.1 | 0 | 0 | 112.7 | L487 N488 S493 S494 | L487-Q491 WeakPolarHBondContact O-CB 3.43Å; L487-Q491 VanDerWaalsContact O-CG 3.24Å; L487-Q491 WeakPolarHBondContact O-CG 3.48Å; L487-Q491 PolarHBondContact O-N 3.29Å; N488-Q491 PolarHBondContact O-N 3.16Å; Q491-S493 VanDerWaalsContact C-N 3.34Å; Q491-S494 PolarHBondContact O-N 3Å |
| 492 | L | 60.5 | Low | 64.9 | Low | 142 Ų | 142 | 101.3 Ų | 101.3 | 74% | 0.743 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -67.4 | -33.5 | 176.1 | -70.9 | 167.5 | 0 | 0 | 0 | 112.6 | N488 N489 | N488-L492 WeakPolarHBondContact O-CG 3.29Å; N488-L492 PolarHBondContact O-N 2.76Å; N489-L492 PolarHBondContact O-N 3.26Å |
| 493 | S | 56.7 | Low | 63.7 | Low | 92 Ų | 92 | 100.7 Ų | 100.7 | 64% | 0.643 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -73.9 | -25.7 | 178 | 69.5 | 0 | 0 | 0 | 0 | 113.8 | N489 L490 Q491 S495 | N489-S493 PolarHBondContact O-N 3.35Å; N489-S493 VanDerWaalsContact O-N 3.16Å; L490-S493 PolarHBondContact O-N 2.97Å; L490-S493 PolarHBondContact O-OG 3.05Å; Q491-S493 VanDerWaalsContact C-N 3.34Å; S493-S495 PolarHBondContact O-N 3.41Å; S493-S495 VanDerWaalsContact O-N 3.17Å |
| 494 | S | 50.4 | Low | 63.1 | Low | 76 Ų | 76 | 104.3 Ų | 104.3 | 53% | 0.531 | 56% | 0.558 | S | S | . | * | trans | -91.4 | 60.9 | -176.7 | -174.6 | 0 | 0 | 0 | 0 | 112 | L490 Q491 N496 | L490-S494 PolarHBondContact O-N 2.65Å; Q491-S494 PolarHBondContact O-N 3Å; S494-N496 PolarHBondContact O-N 2.85Å | ||
| 495 | S | 49.6 | Very low | 62.5 | Low | 105 Ų | 105 | 103.4 Ų | 103.4 | 73% | 0.734 | 56% | 0.555 | S | S | * | * | trans | -80.1 | 2.1 | 170.1 | -154.2 | 0 | 0 | 0 | 0 | 113.6 | S493 | S493-S495 PolarHBondContact O-N 3.41Å; S493-S495 VanDerWaalsContact O-N 3.17Å | ||
| 496 | N | 48.8 | Very low | 62 | Low | 140 Ų | 140 | 104.1 Ų | 104.1 | 75% | 0.749 | 56% | 0.556 | S | S | * | * | S | Bend | trans | -98.8 | 124.5 | 175.2 | -77.2 | -20.2 | 0 | 0 | 0 | 111.5 | S494 N498 | S494-N496 PolarHBondContact O-N 2.85Å; N496-N498 PolarHBondContact O-N 2.59Å |
| 497 | N | 48.1 | Very low | 61.5 | Low | 162 Ų | 162 | 105.6 Ų | 105.6 | 87% | 0.866 | 57% | 0.565 | S | S | * | * | trans | -62.2 | 30.2 | -166.4 | -71.9 | -33.8 | 0 | 0 | 0 | 118.4 | M499 | N497-M499 PolarHBondContact O-N 2.99Š| ||
| 498 | N | 46.6 | Very low | 61.4 | Low | 136 Ų | 136 | 104.4 Ų | 104.4 | 73% | 0.727 | 56% | 0.559 | S | S | * | * | trans | -89.2 | 83.8 | 174.2 | -77.1 | -7.7 | 0 | 0 | 0 | 110.9 | N496 K500 | N496-N498 PolarHBondContact O-N 2.59Å; N498-K500 PolarHBondContact O-N 2.88Å | ||
| 499 | M | 46.4 | Very low | 61.4 | Low | 159 Ų | 159 | 100.6 Ų | 100.6 | 78% | 0.783 | 54% | 0.539 | S | S | * | . | G | 310 helix | trans | -54.1 | -17.2 | -179.7 | -102.2 | -178.1 | 136.4 | 0 | 0 | 115.8 | N497 T501 | N497-M499 PolarHBondContact O-N 2.99Å; M499-T501 PolarHBondContact O-N 3.41Å |
| 500 | K | 49.3 | Very low | 61.3 | Low | 208 Ų | 208 | 100.8 Ų | 100.8 | 90% | 0.904 | 54% | 0.539 | S | S | * | . | G | 310 helix | trans | -80.9 | -6.2 | -170.2 | -72 | -171.6 | 175.1 | -173.8 | 0 | 115.8 | N498 | N498-K500 PolarHBondContact O-N 2.88Š|
| 501 | T | 52.5 | Low | 61.2 | Low | 119 Ų | 119 | 103 Ų | 103 | 73% | 0.73 | 55% | 0.55 | S | S | * | . | G | 310 helix | trans | -132.7 | 35.5 | -174.8 | 59.7 | 0 | 0 | 0 | 0 | 113.8 | M499 P503 | M499-T501 PolarHBondContact O-N 3.41Å; T501-P503 WeakPolarHBondContact O-CD 3.47Å |
| 502 | R | 56.3 | Low | 61.8 | Low | 164 Ų | 164 | 99.7 Ų | 99.7 | 62% | 0.619 | 53% | 0.534 | S | S | * | . | P | Polyproline II helix | trans | -73.7 | 122.5 | 173.7 | -162.7 | 173.5 | -178.4 | 165.4 | -2.1 | 109 | T504 | R502-T504 PolarHBondContact O-N 3.4Š|
| 503 | P | 61.1 | Low | 62.8 | Low | 46 Ų | 46 | 93 Ų | 93 | 30% | 0.299 | 50% | 0.5 | S | S | . | . | P | Polyproline II helix | trans | -62.7 | 127.6 | 179 | 23.7 | -31 | 0 | 0 | 0 | 109.7 | L490 T501 V508 | L490-P503 HydrophobicContact CB-CG 4.26Å; L490-P503 HydrophobicContact CD1-CG 3.9Å; T501-P503 WeakPolarHBondContact O-CD 3.47Å; P503-V508 HydrophobicContact CB-CG2 4.09Å |
| 504 | T | 69.3 | Low | 64.2 | Low | 79 Ų | 79 | 88.7 Ų | 88.7 | 49% | 0.485 | 47% | 0.469 | S | S | . | . | P | Polyproline II helix | trans | -75.1 | 157.4 | 175.3 | 62.2 | 0 | 0 | 0 | 0 | 109.7 | R502 Q506 T507 V508 | R502-T504 PolarHBondContact O-N 3.4Å; T504-Q506 PolarHBondContact O-N 3.03Å; T504-Q506 VanDerWaalsContact O-N 3.17Å; T504-T507 PolarHBondContact O-N 3.36Å; T504-T507 PolarHBondContact OG1-N 2.87Å; T504-T507 PolarHBondContact OG1-OG1 3.49Å; T504-T507 VanDerWaalsContact OG1-OG1 3.05Å; T504-V508 PolarHBondContact O-N 2.94Å |
| 505 | I | 71.1 | Confident | 66.1 | Low | 64 Ų | 64 | 85.9 Ų | 85.9 | 33% | 0.328 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -58.1 | -32.8 | 177.8 | -57.4 | 168.8 | 0 | 0 | 0 | 110.6 | L487 V508 A509 V556 | L487-I505 HydrophobicContact CD2-CD1 4.34Å; L487-I505 HydrophobicContact CD2-CG1 3.83Å; I505-V508 PolarHBondContact O-N 3.37Å; I505-A509 WeakPolarHBondContact O-CB 3.2Å; I505-A509 PolarHBondContact O-N 2.78Å; I505-V556 HydrophobicContact CB-CG1 4.11Å; I505-V556 WeakPolarHBondContact CD1-O 3.49Å; I505-V556 HydrophobicContact CG2-CG1 3.54Å |
| 506 | Q | 71.6 | Confident | 67.9 | Low | 106 Ų | 106 | 81 Ų | 81 | 50% | 0.495 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -62.4 | -43 | 174.8 | -168.7 | 174.3 | 1.6 | 0 | 0 | 112.8 | T504 A509 L510 L516 | T504-Q506 PolarHBondContact O-N 3.03Å; T504-Q506 VanDerWaalsContact O-N 3.17Å; Q506-A509 PolarHBondContact O-N 3.44Å; Q506-L510 PolarHBondContact O-N 3.06Å; Q506-L516 HydrophobicContact CB-CD1 4.17Å; Q506-L516 HydrophobicContact CG-CD1 4.11Å |
| 507 | T | 72.5 | Confident | 69.8 | Low | 69 Ų | 69 | 76.2 Ų | 76.2 | 42% | 0.423 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -64.7 | -41.8 | 174.2 | -48.9 | 0 | 0 | 0 | 0 | 111 | T504 L510 M511 | T504-T507 PolarHBondContact O-N 3.36Å; T504-T507 PolarHBondContact OG1-N 2.87Å; T504-T507 PolarHBondContact OG1-OG1 3.49Å; T504-T507 VanDerWaalsContact OG1-OG1 3.05Å; T507-L510 PolarHBondContact O-N 2.94Å; T507-M511 VanDerWaalsContact O-CG 3.28Å; T507-M511 WeakPolarHBondContact O-CG 3.25Å; T507-M511 PolarHBondContact O-N 3.36Å |
| 508 | V | 79.3 | Confident | 71.9 | Confident | 0 Ų | 0 | 69 Ų | 69 | 0% | 0 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -66.5 | -38.2 | 178 | 178.1 | 0 | 0 | 0 | 0 | 111.7 | C483 T486 L487 L490 P503 T504 I505 M511 N512 | C483-V508 HydrophobicContact CB-CG1 4.16Å; C483-V508 WeakPolarHBondContact O-CG1 3.08Å; T486-V508 HydrophobicContact CG2-CG1 3.84Å; L487-V508 HydrophobicContact CD1-CG2 4Å; L490-V508 HydrophobicContact CD1-CG2 4.31Å; P503-V508 HydrophobicContact CB-CG2 4.09Å; T504-V508 PolarHBondContact O-N 2.94Å; I505-V508 PolarHBondContact O-N 3.37Å; V508-M511 WeakPolarHBondContact O-CB 3.49Å; V508-M511 PolarHBondContact O-N 2.81Å; V508-N512 WeakPolarHBondContact CG1-ND2 3.37Å; V508-N512 WeakPolarHBondContact O-CB 3.39Å; V508-N512 PolarHBondContact O-N 2.89Å; V508-N512 PolarHBondContact O-ND2 3.27Å |
| 509 | A | 78 | Confident | 74.2 | Confident | 1 Ų | 1 | 62.6 Ų | 62.6 | 1% | 0.008 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -65.5 | -42.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | C483 I505 Q506 M511 N512 G513 L514 L516 | C483-A509 VanDerWaalsContact SG-CA 3.6Å; I505-A509 WeakPolarHBondContact O-CB 3.2Å; I505-A509 PolarHBondContact O-N 2.78Å; Q506-A509 PolarHBondContact O-N 3.44Å; A509-M511 PolarHBondContact O-N 3.13Å; A509-N512 CarbonylContact O-C 3.25Å; A509-N512 PolarHBondContact O-N 3.5Å; A509-N512 VanDerWaalsContact O-N 3.1Å; A509-G513 PolarHBondContact O-N 3.45Å; A509-L514 CarbonylContact C-O 3.32Å; A509-L514 VanDerWaalsContact CB-O 3.25Å; A509-L514 WeakPolarHBondContact CB-O 3.02Å; A509-L514 CarbonylContact O-C 3.55Å; A509-L514 VanDerWaalsContact O-C 3.25Å; A509-L514 PolarHBondContact O-N 2.94Å; A509-L516 HydrophobicContact CB-CD2 3.95Å; A509-L516 HydrophobicContact CB-CG 4.28Å |
| 510 | L | 75.7 | Confident | 76.4 | Confident | 110 Ų | 110 | 55 Ų | 55 | 58% | 0.576 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -61.2 | -42.2 | 172.1 | -170.8 | 117.7 | 0 | 0 | 0 | 112.1 | Q506 T507 N512 G513 P515 | Q506-L510 PolarHBondContact O-N 3.06Å; T507-L510 PolarHBondContact O-N 2.94Å; L510-N512 PolarHBondContact O-N 3.25Å; L510-G513 PolarHBondContact O-N 2.76Å; L510-P515 HydrophobicContact CD1-CG 4.34Å |
| 511 | M | 72.9 | Confident | 78.5 | Confident | 111 Ų | 111 | 45.5 Ų | 45.5 | 55% | 0.547 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -64.2 | -27.6 | 175.4 | -70.9 | 177.1 | 74 | 0 | 0 | 112.8 | T507 V508 A509 | T507-M511 VanDerWaalsContact O-CG 3.28Å; T507-M511 WeakPolarHBondContact O-CG 3.25Å; T507-M511 PolarHBondContact O-N 3.36Å; V508-M511 WeakPolarHBondContact O-CB 3.49Å; V508-M511 PolarHBondContact O-N 2.81Å; A509-M511 PolarHBondContact O-N 3.13Å |
| 512 | N | 82.2 | Confident | 80.5 | Confident | 4 Ų | 4 | 40 Ų | 40 | 2% | 0.021 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | 15.4 | -179.8 | -74.7 | -80.2 | 0 | 0 | 0 | 114.8 | V334 R479 C483 T486 V508 A509 L510 L514 | V334-N512 VanDerWaalsContact CG1-CA 3.45Å; V334-N512 HydrophobicContact CG1-CB 3.92Å; V334-N512 WeakPolarHBondContact CG1-OD1 3.1Å; V334-N512 CarbonylContact O-C 2.99Å; R479-N512 WeakPolarHBondContact CD-O 3.5Å; C483-N512 VanDerWaalsContact SG-CB 3.58Å; T486-N512 PolarHBondContact OG1-ND2 3.09Å; T486-N512 PolarHBondContact OG1-OD1 3.32Å; V508-N512 WeakPolarHBondContact CG1-ND2 3.37Å; V508-N512 WeakPolarHBondContact O-CB 3.39Å; V508-N512 PolarHBondContact O-N 2.89Å; V508-N512 PolarHBondContact O-ND2 3.27Å; A509-N512 CarbonylContact O-C 3.25Å; A509-N512 PolarHBondContact O-N 3.5Å; A509-N512 VanDerWaalsContact O-N 3.1Å; L510-N512 PolarHBondContact O-N 3.25Å; N512-L514 PolarHBondContact O-N 3.26Å |
| 513 | G | 79.5 | Confident | 82.3 | Confident | 3 Ų | 3 | 32.3 Ų | 32.3 | 3% | 0.031 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 71.6 | 14.4 | 174 | 0 | 0 | 0 | 0 | 0 | 114 | V334 A509 L510 | V334-G513 WeakPolarHBondContact O-CA 3.2Å; V334-G513 PolarHBondContact O-N 3.31Å; V334-G513 VanDerWaalsContact O-N 3.1Å; A509-G513 PolarHBondContact O-N 3.45Å; L510-G513 PolarHBondContact O-N 2.76Å |
| 514 | L | 87.9 | Confident | 83.8 | Confident | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 17% | 0.165 | C | C | . | . | trans | -128.6 | 74 | 173.2 | -174.3 | 69.8 | 0 | 0 | 0 | 110.2 | I476 R479 L480 A509 N512 L516 D518 I519 F522 | I476-L514 HydrophobicContact CG2-CD2 4.5Å; R479-L514 HydrophobicContact CB-CB 3.94Å; R479-L514 HydrophobicContact CB-CD2 3.73Å; R479-L514 HydrophobicContact CB-CG 4.36Å; R479-L514 HydrophobicContact CG-CB 4.4Å; L480-L514 HydrophobicContact CD2-CD2 4.07Å; L480-L514 HydrophobicContact CG-CD2 4.03Å; A509-L514 CarbonylContact C-O 3.32Å; A509-L514 VanDerWaalsContact CB-O 3.25Å; A509-L514 WeakPolarHBondContact CB-O 3.02Å; A509-L514 CarbonylContact O-C 3.55Å; A509-L514 VanDerWaalsContact O-C 3.25Å; A509-L514 PolarHBondContact O-N 2.94Å; N512-L514 PolarHBondContact O-N 3.26Å; L514-L516 PolarHBondContact O-N 3.32Å; L514-D518 HydrophobicContact CD1-CB 4.23Å; L514-I519 HydrophobicContact CD1-CG1 4.36Å; L514-I519 HydrophobicContact CD2-CG1 4.41Å; L514-I519 HydrophobicContact CG-CG1 4.48Å; L514-F522 HydrophobicContact CD1-CE2 3.65Å; L514-F522 HydrophobicContact CD1-CZ 4.44Å | ||
| 515 | P | 89.1 | Confident | 84.8 | Confident | 17 Ų | 17 | 27.1 Ų | 27.1 | 11% | 0.11 | 14% | 0.143 | C | C | . | . | trans | -47.7 | 137.9 | 160.2 | -22.1 | 30.5 | 0 | 0 | 0 | 110.5 | L510 E517 D518 | L510-P515 HydrophobicContact CD1-CG 4.34Å; P515-E517 HydrophobicContact CB-CG 4.01Å; P515-E517 VanDerWaalsContact CB-OE2 3.32Å; P515-E517 WeakPolarHBondContact CB-OE2 3.33Å; P515-E517 PolarHBondContact O-N 2.86Å; P515-D518 WeakPolarHBondContact CD-OD2 3.2Å; P515-D518 VanDerWaalsContact O-CB 3.27Å; P515-D518 WeakPolarHBondContact O-CB 3.32Å; P515-D518 PolarHBondContact O-N 3.43Å | ||
| 516 | L | 87.4 | Confident | 85.8 | Confident | 3 Ų | 3 | 24.1 Ų | 24.1 | 2% | 0.016 | 13% | 0.128 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -28.1 | -173.9 | -60.4 | 176.5 | 0 | 0 | 0 | 112 | Q506 A509 L514 D518 I519 P520 V556 L558 L567 | Q506-L516 HydrophobicContact CB-CD1 4.17Å; Q506-L516 HydrophobicContact CG-CD1 4.11Å; A509-L516 HydrophobicContact CB-CD2 3.95Å; A509-L516 HydrophobicContact CB-CG 4.28Å; L514-L516 PolarHBondContact O-N 3.32Å; L516-D518 PolarHBondContact O-N 2.81Å; L516-I519 HydrophobicContact CD2-CD1 4.2Å; L516-I519 WeakPolarHBondContact O-CB 3.36Å; L516-I519 PolarHBondContact O-N 3.24Å; L516-P520 VanDerWaalsContact O-CD 3.27Å; L516-P520 WeakPolarHBondContact O-CD 3.38Å; L516-V556 HydrophobicContact CD1-CG1 4.08Å; L516-V556 HydrophobicContact CD2-CG1 4.08Å; L516-V556 HydrophobicContact CD2-CG2 4Å; L516-L558 HydrophobicContact CD1-CD1 3.87Å; L516-L558 HydrophobicContact CD1-CG 4.49Å; L516-L567 HydrophobicContact CB-CD1 4.44Å; L516-L567 HydrophobicContact CB-CD2 4.28Å |
| 517 | E | 89.8 | Confident | 86.6 | Confident | 40 Ų | 40 | 19 Ų | 19 | 19% | 0.187 | 10% | 0.104 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -15.7 | 172.6 | 63.3 | -96.9 | -134.4 | 0 | 0 | 114.3 | P515 P520 L567 D570 | P515-E517 HydrophobicContact CB-CG 4.01Å; P515-E517 VanDerWaalsContact CB-OE2 3.32Å; P515-E517 WeakPolarHBondContact CB-OE2 3.33Å; P515-E517 PolarHBondContact O-N 2.86Å; E517-P520 WeakPolarHBondContact O-CG 3.5Å; E517-L567 HydrophobicContact CB-CB 4.46Å; E517-D570 HydrophobicContact CB-CB 4.45Å |
| 518 | D | 92.1 | Very high | 87.3 | Confident | 11 Ų | 11 | 17.5 Ų | 17.5 | 6% | 0.059 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -77.9 | -26.4 | 177.1 | -67.6 | -2.9 | 0 | 0 | 0 | 111.6 | K339 L514 P515 L516 A521 F522 | K339-D518 HydrophobicContact CB-CB 4.29Å; K339-D518 WeakPolarHBondContact CB-OD2 3.32Å; K339-D518 HydrophobicContact CD-CB 4.2Å; K339-D518 WeakPolarHBondContact CD-OD1 3.49Å; K339-D518 IonicContact NZ-OD1 2.72Å; L514-D518 HydrophobicContact CD1-CB 4.23Å; P515-D518 WeakPolarHBondContact CD-OD2 3.2Å; P515-D518 VanDerWaalsContact O-CB 3.27Å; P515-D518 WeakPolarHBondContact O-CB 3.32Å; P515-D518 PolarHBondContact O-N 3.43Å; L516-D518 PolarHBondContact O-N 2.81Å; D518-A521 WeakPolarHBondContact O-CB 3.44Å; D518-A521 PolarHBondContact O-N 3.48Å; D518-F522 HydrophobicContact CB-CE2 4.11Å; D518-F522 HydrophobicContact CB-CZ 4.27Å; D518-F522 WeakPolarHBondContact O-CD2 3.43Å; D518-F522 WeakPolarHBondContact O-CG 3.44Å; D518-F522 PolarHBondContact O-N 2.64Å |
| 519 | I | 93.9 | Very high | 87.7 | Confident | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -57.9 | -59.7 | 177.5 | -59.4 | 172.1 | 0 | 0 | 0 | 111.1 | L514 L516 A521 F522 Y523 T549 A552 L553 | L514-I519 HydrophobicContact CD1-CG1 4.36Å; L514-I519 HydrophobicContact CD2-CG1 4.41Å; L514-I519 HydrophobicContact CG-CG1 4.48Å; L516-I519 HydrophobicContact CD2-CD1 4.2Å; L516-I519 WeakPolarHBondContact O-CB 3.36Å; L516-I519 PolarHBondContact O-N 3.24Å; I519-A521 PolarHBondContact O-N 3.5Å; I519-F522 PolarHBondContact O-N 2.77Å; I519-Y523 HydrophobicContact CG2-CD2 4.15Å; I519-Y523 HydrophobicContact CG2-CE2 3.84Å; I519-Y523 WeakPolarHBondContact O-CD2 3.41Å; I519-Y523 PolarHBondContact O-N 3.31Å; I519-T549 HydrophobicContact CG2-CG2 4.23Å; I519-A552 HydrophobicContact CD1-CB 4.26Å; I519-A552 HydrophobicContact CG2-CB 3.8Å; I519-L553 HydrophobicContact CD1-CD2 4.07Å |
| 520 | P | 93.8 | Very high | 88.1 | Confident | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -64.3 | -26.9 | 177.2 | 25.6 | -34.2 | 0 | 0 | 0 | 112.5 | L516 E517 Y523 S524 T549 L567 D570 L574 | L516-P520 VanDerWaalsContact O-CD 3.27Å; L516-P520 WeakPolarHBondContact O-CD 3.38Å; E517-P520 WeakPolarHBondContact O-CG 3.5Å; P520-Y523 PolarHBondContact O-N 3.37Å; P520-S524 WeakPolarHBondContact O-CB 2.93Å; P520-S524 PolarHBondContact O-N 3.16Å; P520-S524 PolarHBondContact O-OG 2.93Å; P520-T549 HydrophobicContact CB-CG2 4.21Å; P520-L567 HydrophobicContact CG-CD1 4.1Å; P520-D570 HydrophobicContact CG-CB 3.93Å; P520-L574 HydrophobicContact CB-CB 4.29Å; P520-L574 HydrophobicContact CB-CD2 3.98Å |
| 521 | A | 92.1 | Very high | 88.5 | Confident | 9 Ų | 9 | 12.2 Ų | 12.2 | 7% | 0.074 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -66.6 | -41.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | K339 D518 I519 S524 V525 | K339-A521 HydrophobicContact CD-CB 4.04Å; D518-A521 WeakPolarHBondContact O-CB 3.44Å; D518-A521 PolarHBondContact O-N 3.48Å; I519-A521 PolarHBondContact O-N 3.5Å; A521-S524 PolarHBondContact O-N 3.11Å; A521-V525 PolarHBondContact O-N 3.39Å |
| 522 | F | 94 | Very high | 88.9 | Confident | 2 Ų | 2 | 7.8 Ų | 7.8 | 1% | 0.009 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -60.5 | -48.2 | 174.4 | -65.7 | -45.3 | 0 | 0 | 0 | 111.6 | L338 K339 V342 V472 I476 L514 D518 I519 S524 V525 L526 | L338-F522 HydrophobicContact CB-CZ 4.11Å; K339-F522 HydrophobicContact CB-CE1 4.34Å; V342-F522 HydrophobicContact CB-CD1 4.05Å; V342-F522 HydrophobicContact CB-CE1 3.73Å; V342-F522 HydrophobicContact CG1-CD1 3.9Å; V342-F522 HydrophobicContact CG1-CE1 4.07Å; V342-F522 HydrophobicContact CG2-CE1 4.24Å; V472-F522 HydrophobicContact CG1-CB 3.86Å; V472-F522 HydrophobicContact CG1-CG 4.39Å; I476-F522 HydrophobicContact CD1-CB 4.42Å; I476-F522 HydrophobicContact CD1-CD2 3.9Å; I476-F522 HydrophobicContact CG1-CD2 3.86Å; I476-F522 HydrophobicContact CG1-CE2 4.25Å; L514-F522 HydrophobicContact CD1-CE2 3.65Å; L514-F522 HydrophobicContact CD1-CZ 4.44Å; D518-F522 HydrophobicContact CB-CE2 4.11Å; D518-F522 HydrophobicContact CB-CZ 4.27Å; D518-F522 WeakPolarHBondContact O-CD2 3.43Å; D518-F522 WeakPolarHBondContact O-CG 3.44Å; D518-F522 PolarHBondContact O-N 2.64Å; I519-F522 PolarHBondContact O-N 2.77Å; F522-S524 VanDerWaalsContact C-N 3.31Å; F522-S524 PolarHBondContact O-N 3.4Å; F522-V525 PolarHBondContact O-N 3.44Å; F522-L526 PolarHBondContact O-N 3.36Å |
| 523 | Y | 95.2 | Very high | 88.9 | Confident | 3 Ų | 3 | 9.3 Ų | 9.3 | 1% | 0.012 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -70.2 | -26.1 | 179 | -65.9 | -68.9 | 0 | 0 | 0 | 113.1 | F469 N473 I476 I519 P520 V525 L526 V527 C545 A548 T549 | F469-Y523 HydrophobicContact CD2-CE1 4.37Å; F469-Y523 HydrophobicContact CE2-CD1 4.47Å; F469-Y523 AromaticContact CE2-CE1 3.97Å; F469-Y523 HydrophobicContact CE2-CE1 3.97Å; N473-Y523 PolarHBondContact OD1-OH 3.42Å; I476-Y523 HydrophobicContact CD1-CD2 4.48Å; I476-Y523 HydrophobicContact CD1-CE2 3.62Å; I476-Y523 WeakPolarHBondContact CD1-OH 3.49Å; I519-Y523 HydrophobicContact CG2-CD2 4.15Å; I519-Y523 HydrophobicContact CG2-CE2 3.84Å; I519-Y523 WeakPolarHBondContact O-CD2 3.41Å; I519-Y523 PolarHBondContact O-N 3.31Å; P520-Y523 PolarHBondContact O-N 3.37Å; Y523-V525 PolarHBondContact O-N 3.01Å; Y523-L526 HydrophobicContact CD1-CD1 3.89Å; Y523-L526 HydrophobicContact CE1-CD1 4.33Å; Y523-L526 PolarHBondContact O-N 2.98Å; Y523-V527 WeakPolarHBondContact O-CB 3.32Å; Y523-V527 WeakPolarHBondContact O-CG2 3.46Å; Y523-V527 PolarHBondContact O-N 3.16Å; Y523-C545 HydrophobicContact CD1-CB 4.06Å; Y523-C545 HydrophobicContact CG-CB 4.48Å; Y523-A548 HydrophobicContact CD1-CB 4.46Å; Y523-A548 HydrophobicContact CE1-CB 3.6Å; Y523-A548 HydrophobicContact CE2-CB 4.37Å; Y523-A548 WeakPolarHBondContact OH-CB 3.33Å; Y523-T549 WeakPolarHBondContact CB-OG1 3.31Å; Y523-T549 HydrophobicContact CD2-CG2 4.33Å; Y523-T549 WeakPolarHBondContact CD2-OG1 3.48Å; Y523-T549 VanDerWaalsContact CG-OG1 3.31Å |
| 524 | S | 91.8 | Very high | 88.8 | Confident | 11 Ų | 11 | 12.4 Ų | 12.4 | 8% | 0.077 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -61.8 | -43.2 | 174.7 | -64.8 | 0 | 0 | 0 | 0 | 111.7 | P520 A521 F522 L526 V527 Y528 L577 | P520-S524 WeakPolarHBondContact O-CB 2.93Å; P520-S524 PolarHBondContact O-N 3.16Å; P520-S524 PolarHBondContact O-OG 2.93Å; A521-S524 PolarHBondContact O-N 3.11Å; F522-S524 VanDerWaalsContact C-N 3.31Å; F522-S524 PolarHBondContact O-N 3.4Å; S524-L526 VanDerWaalsContact C-N 3.32Å; S524-V527 PolarHBondContact O-N 3.38Å; S524-Y528 PolarHBondContact O-N 3.07Å; S524-L577 WeakPolarHBondContact O-CD2 3.45Å |
| 525 | V | 90.5 | Very high | 88.1 | Confident | 6 Ų | 6 | 14.8 Ų | 14.8 | 4% | 0.036 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -71.1 | -31.5 | 177.9 | -165.9 | 0 | 0 | 0 | 0 | 111.2 | C343 I346 D347 A521 F522 Y523 Y528 L529 | C343-V525 HydrophobicContact CB-CG2 4.05Å; I346-V525 HydrophobicContact CB-CB 4.31Å; I346-V525 HydrophobicContact CB-CG1 3.57Å; I346-V525 HydrophobicContact CG2-CB 4.21Å; I346-V525 HydrophobicContact CG2-CG1 3.46Å; I346-V525 VanDerWaalsContact CG2-CG1 3.46Å; D347-V525 HydrophobicContact CB-CG1 4.48Å; D347-V525 WeakPolarHBondContact OD1-CG1 3.5Å; A521-V525 PolarHBondContact O-N 3.39Å; F522-V525 PolarHBondContact O-N 3.44Å; Y523-V525 PolarHBondContact O-N 3.01Å; V525-Y528 PolarHBondContact O-N 3.41Å; V525-L529 PolarHBondContact O-N 3.35Å |
| 526 | L | 91.8 | Very high | 87.2 | Confident | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -68.4 | -40.8 | 172.4 | -65.6 | 177.7 | 0 | 0 | 0 | 113 | I346 F465 F468 F469 V472 F522 Y523 S524 Y528 L529 A530 | I346-L526 HydrophobicContact CD1-CD2 3.93Å; I346-L526 HydrophobicContact CD1-CG 4.39Å; I346-L526 HydrophobicContact CG2-CD2 4.38Å; F465-L526 HydrophobicContact CE2-CB 4.21Å; F465-L526 WeakPolarHBondContact CE2-O 3.42Å; F468-L526 HydrophobicContact CB-CD2 3.53Å; F468-L526 HydrophobicContact CG-CD2 4.35Å; F469-L526 HydrophobicContact CD2-CD1 4.26Å; V472-L526 HydrophobicContact CB-CD1 4.14Å; V472-L526 HydrophobicContact CG1-CD1 4.07Å; V472-L526 HydrophobicContact CG2-CD1 4.27Å; F522-L526 PolarHBondContact O-N 3.36Å; Y523-L526 HydrophobicContact CD1-CD1 3.89Å; Y523-L526 HydrophobicContact CE1-CD1 4.33Å; Y523-L526 PolarHBondContact O-N 2.98Å; S524-L526 VanDerWaalsContact C-N 3.32Å; L526-Y528 VanDerWaalsContact C-N 3.32Å; L526-L529 PolarHBondContact O-N 3.01Å; L526-A530 PolarHBondContact O-N 2.68Å |
| 527 | V | 89.8 | Confident | 86.6 | Confident | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -61.6 | -44.2 | 174.4 | 164.7 | 0 | 0 | 0 | 0 | 110 | Y523 S524 L529 A530 M531 I542 C545 L574 L577 | Y523-V527 WeakPolarHBondContact O-CB 3.32Å; Y523-V527 WeakPolarHBondContact O-CG2 3.46Å; Y523-V527 PolarHBondContact O-N 3.16Å; S524-V527 PolarHBondContact O-N 3.38Å; V527-L529 VanDerWaalsContact C-N 3.34Å; V527-L529 PolarHBondContact O-N 3.23Å; V527-A530 WeakPolarHBondContact O-CB 3.4Å; V527-A530 PolarHBondContact O-N 3.35Å; V527-A530 VanDerWaalsContact O-N 3.16Å; V527-M531 HydrophobicContact CG1-CG 4.46Å; V527-M531 HydrophobicContact CG1-SD 3.91Å; V527-M531 VanDerWaalsContact O-CG 3.29Å; V527-M531 WeakPolarHBondContact O-CG 3.34Å; V527-M531 PolarHBondContact O-N 3.14Å; V527-I542 HydrophobicContact CG1-CD1 4.34Å; V527-I542 HydrophobicContact CG1-CG1 4.02Å; V527-I542 HydrophobicContact CG1-CG2 4.48Å; V527-I542 HydrophobicContact CG2-CG2 4.35Å; V527-C545 HydrophobicContact CG2-CB 3.72Å; V527-L574 HydrophobicContact CG2-CD1 3.92Å; V527-L577 HydrophobicContact CB-CD2 3.86Å; V527-L577 HydrophobicContact CG1-CB 4.4Å; V527-L577 HydrophobicContact CG1-CD2 3.48Å; V527-L577 VanDerWaalsContact CG1-CD2 3.48Å; V527-L577 HydrophobicContact CG1-CG 3.98Å |
| 528 | Y | 86.4 | Confident | 86.3 | Confident | 36 Ų | 36 | 23.3 Ų | 23.3 | 14% | 0.141 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -58.1 | -46.2 | 174.3 | 177.6 | -114.9 | 0 | 0 | 0 | 112.3 | S524 V525 L526 A530 M531 I532 I593 | S524-Y528 PolarHBondContact O-N 3.07Å; V525-Y528 PolarHBondContact O-N 3.41Å; L526-Y528 VanDerWaalsContact C-N 3.32Å; Y528-A530 VanDerWaalsContact C-N 3.33Å; Y528-A530 PolarHBondContact O-N 2.62Å; Y528-M531 PolarHBondContact O-N 3.26Å; Y528-I532 HydrophobicContact CD1-CD1 3.8Å; Y528-I532 HydrophobicContact CD2-CD1 4.34Å; Y528-I532 HydrophobicContact CE1-CD1 3.32Å; Y528-I532 HydrophobicContact CE1-CG1 4.5Å; Y528-I532 HydrophobicContact CE2-CD1 3.95Å; Y528-I532 HydrophobicContact CE2-CG1 4.36Å; Y528-I532 HydrophobicContact CG-CD1 4.29Å; Y528-I532 VanDerWaalsContact CZ-CD1 3.41Å; Y528-I532 WeakPolarHBondContact O-CG1 3.49Å; Y528-I532 PolarHBondContact O-N 3.04Å; Y528-I532 VanDerWaalsContact O-N 3.1Å; Y528-I593 HydrophobicContact CD1-CG2 4.15Å; Y528-I593 HydrophobicContact CD2-CG2 3.13Å; Y528-I593 HydrophobicContact CE2-CG2 3.62Å; Y528-I593 HydrophobicContact CG-CG2 3.42Å; Y528-I593 VanDerWaalsContact CG-CG2 3.42Å |
| 529 | L | 87.3 | Confident | 85.9 | Confident | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -59.6 | -43.1 | 174.6 | -179.6 | 64.2 | 0 | 0 | 0 | 111.9 | I346 S350 L464 F468 V525 L526 V527 M531 I532 I533 | I346-L529 HydrophobicContact CG2-CD2 4.28Å; S350-L529 WeakPolarHBondContact OG-CD1 3.24Å; L464-L529 HydrophobicContact CD2-CD1 4.27Å; L464-L529 HydrophobicContact CD2-CD2 4.49Å; L464-L529 HydrophobicContact CG-CD2 4.32Å; F468-L529 HydrophobicContact CD2-CD2 3.5Å; F468-L529 VanDerWaalsContact CD2-CD2 3.5Å; F468-L529 HydrophobicContact CE2-CD2 3.94Å; F468-L529 HydrophobicContact CG-CD2 4.45Å; V525-L529 PolarHBondContact O-N 3.35Å; L526-L529 PolarHBondContact O-N 3.01Å; V527-L529 VanDerWaalsContact C-N 3.34Å; V527-L529 PolarHBondContact O-N 3.23Å; L529-M531 VanDerWaalsContact C-N 3.31Å; L529-M531 PolarHBondContact O-N 2.94Å; L529-I532 PolarHBondContact O-N 3.48Å; L529-I533 HydrophobicContact CD1-CD1 3.69Å; L529-I533 HydrophobicContact CD1-CG1 3.99Å; L529-I533 HydrophobicContact CD2-CD1 4.27Å; L529-I533 HydrophobicContact CG-CD1 3.7Å; L529-I533 HydrophobicContact CG-CG1 4.31Å; L529-I533 WeakPolarHBondContact O-CG1 3.46Å; L529-I533 PolarHBondContact O-N 3.05Å |
| 530 | A | 86.8 | Confident | 85.5 | Confident | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -61.3 | -39.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | F465 L526 V527 Y528 I532 H534 L541 | F465-A530 HydrophobicContact CD2-CB 3.83Å; F465-A530 HydrophobicContact CE2-CB 3.7Å; F465-A530 HydrophobicContact CZ-CB 4.49Å; L526-A530 PolarHBondContact O-N 2.68Å; V527-A530 WeakPolarHBondContact O-CB 3.4Å; V527-A530 PolarHBondContact O-N 3.35Å; V527-A530 VanDerWaalsContact O-N 3.16Å; Y528-A530 VanDerWaalsContact C-N 3.33Å; Y528-A530 PolarHBondContact O-N 2.62Å; A530-I532 VanDerWaalsContact C-N 3.31Å; A530-I532 PolarHBondContact O-N 2.92Å; A530-H534 PolarHBondContact O-N 2.94Å; A530-L541 HydrophobicContact CB-CB 3.88Å; A530-L541 HydrophobicContact CB-CD1 4.04Å |
| 531 | M | 83.4 | Confident | 85.2 | Confident | 1 Ų | 1 | 28.7 Ų | 28.7 | 1% | 0.005 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -67.5 | -31.2 | 177.1 | -67.5 | 171.1 | 80.6 | 0 | 0 | 112.4 | V527 Y528 L529 P535 C538 I542 L577 A595 S599 | V527-M531 HydrophobicContact CG1-CG 4.46Å; V527-M531 HydrophobicContact CG1-SD 3.91Å; V527-M531 VanDerWaalsContact O-CG 3.29Å; V527-M531 WeakPolarHBondContact O-CG 3.34Å; V527-M531 PolarHBondContact O-N 3.14Å; Y528-M531 PolarHBondContact O-N 3.26Å; L529-M531 VanDerWaalsContact C-N 3.31Å; L529-M531 PolarHBondContact O-N 2.94Å; M531-P535 WeakPolarHBondContact O-CA 3.39Å; M531-C538 HydrophobicContact CG-CB 4.49Å; M531-I542 HydrophobicContact CG-CD1 4.19Å; M531-L577 HydrophobicContact SD-CG 4.22Å; M531-A595 HydrophobicContact CE-CB 3.49Å; M531-A595 VanDerWaalsContact CE-CB 3.49Å; M531-A595 HydrophobicContact SD-CB 4.19Å; M531-S599 WeakPolarHBondContact CE-OG 3.44Å |
| 532 | I | 81.8 | Confident | 85.1 | Confident | 17 Ų | 17 | 28.3 Ų | 28.3 | 9% | 0.087 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -73.8 | -50.2 | 174.3 | -68.5 | 163.4 | 0 | 0 | 0 | 111.3 | V353 A354 L357 Y528 L529 A530 | V353-I532 HydrophobicContact CG1-CG2 4.12Å; A354-I532 HydrophobicContact CB-CD1 4.34Å; A354-I532 HydrophobicContact CB-CG2 4Å; L357-I532 HydrophobicContact CD1-CG2 3.8Å; Y528-I532 HydrophobicContact CD1-CD1 3.8Å; Y528-I532 HydrophobicContact CD2-CD1 4.34Å; Y528-I532 HydrophobicContact CE1-CD1 3.32Å; Y528-I532 HydrophobicContact CE1-CG1 4.5Å; Y528-I532 HydrophobicContact CE2-CD1 3.95Å; Y528-I532 HydrophobicContact CE2-CG1 4.36Å; Y528-I532 HydrophobicContact CG-CD1 4.29Å; Y528-I532 VanDerWaalsContact CZ-CD1 3.41Å; Y528-I532 WeakPolarHBondContact O-CG1 3.49Å; Y528-I532 PolarHBondContact O-N 3.04Å; Y528-I532 VanDerWaalsContact O-N 3.1Å; L529-I532 PolarHBondContact O-N 3.48Å; A530-I532 VanDerWaalsContact C-N 3.31Å; A530-I532 PolarHBondContact O-N 2.92Å |
| 533 | I | 81.5 | Confident | 85 | Confident | 36 Ų | 36 | 29.6 Ų | 29.6 | 19% | 0.185 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -70.1 | -44 | -173.9 | -60.9 | 172.2 | 0 | 0 | 0 | 110.9 | V353 L464 F465 L529 P535 | V353-I533 HydrophobicContact CG1-CG1 4.17Å; L464-I533 HydrophobicContact CB-CD1 4.14Å; F465-I533 HydrophobicContact CB-CD1 4.14Å; L529-I533 HydrophobicContact CD1-CD1 3.69Å; L529-I533 HydrophobicContact CD1-CG1 3.99Å; L529-I533 HydrophobicContact CD2-CD1 4.27Å; L529-I533 HydrophobicContact CG-CD1 3.7Å; L529-I533 HydrophobicContact CG-CG1 4.31Å; L529-I533 WeakPolarHBondContact O-CG1 3.46Å; L529-I533 PolarHBondContact O-N 3.05Å; I533-P535 WeakPolarHBondContact O-CD 3.42Å |
| 534 | H | 79.4 | Confident | 84.9 | Confident | 69 Ų | 69 | 32.5 Ų | 32.5 | 32% | 0.319 | 18% | 0.18 | S | C | . | . | trans | -126.5 | 66.6 | -172.1 | -64.2 | -71 | 0 | 0 | 0 | 111.8 | D463 A530 N536 N537 C538 L541 | D463-H534 IonicContact OD2-CD2 3.1Å; D463-H534 IonicContact OD2-NE2 2.6Å; D463-H534 PolarHBondContact OD2-NE2 2.96Å; A530-H534 PolarHBondContact O-N 2.94Å; H534-N536 PolarHBondContact O-N 2.95Å; H534-N536 VanDerWaalsContact O-N 3.12Å; H534-N537 CarbonylContact O-C 3.45Å; H534-N537 PolarHBondContact O-N 2.89Å; H534-N537 VanDerWaalsContact O-N 3.15Å; H534-C538 VanDerWaalsContact O-CB 3.28Å; H534-C538 WeakPolarHBondContact O-CB 3.42Å; H534-C538 PolarHBondContact O-N 3.23Å; H534-L541 HydrophobicContact CB-CD1 4.35Å | ||
| 535 | P | 72.8 | Confident | 85 | Confident | 50 Ų | 50 | 32 Ų | 32 | 33% | 0.325 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -33.4 | -172 | 22.3 | -33.7 | 0 | 0 | 0 | 113.6 | M531 I533 | M531-P535 WeakPolarHBondContact O-CA 3.39Å; I533-P535 WeakPolarHBondContact O-CD 3.42Å |
| 536 | N | 69.6 | Low | 85.2 | Confident | 161 Ų | 161 | 31.7 Ų | 31.7 | 86% | 0.861 | 18% | 0.175 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90 | -15.5 | -177.3 | -62.3 | -25.1 | 0 | 0 | 0 | 114.2 | H534 | H534-N536 PolarHBondContact O-N 2.95Å; H534-N536 VanDerWaalsContact O-N 3.12Å |
| 537 | N | 75.4 | Confident | 85.3 | Confident | 69 Ų | 69 | 33.2 Ų | 33.2 | 37% | 0.369 | 18% | 0.182 | S | C | . | . | S | Bend | trans | -138.5 | 37 | -175.1 | -164.6 | 17 | 0 | 0 | 0 | 112.4 | Y438 H534 | Y438-N537 PolarHBondContact OH-ND2 3.05Å; Y438-N537 VanDerWaalsContact OH-ND2 3.11Å; H534-N537 CarbonylContact O-C 3.45Å; H534-N537 PolarHBondContact O-N 2.89Å; H534-N537 VanDerWaalsContact O-N 3.15Å |
| 538 | C | 82.7 | Confident | 85.6 | Confident | 8 Ų | 8 | 33.8 Ų | 33.8 | 5% | 0.054 | 19% | 0.187 | C | C | . | . | trans | -79.8 | -17.1 | -179.5 | 55.4 | 0 | 0 | 0 | 0 | 113.4 | M531 H534 S540 L541 I542 | M531-C538 HydrophobicContact CG-CB 4.49Å; H534-C538 VanDerWaalsContact O-CB 3.28Å; H534-C538 WeakPolarHBondContact O-CB 3.42Å; H534-C538 PolarHBondContact O-N 3.23Å; C538-S540 VanDerWaalsContact C-N 3.33Å; C538-S540 PolarHBondContact O-N 3.09Å; C538-L541 PolarHBondContact O-N 2.74Å; C538-I542 HydrophobicContact CB-CD1 4.09Å; C538-I542 HydrophobicContact CB-CG1 4.36Å; C538-I542 VanDerWaalsContact O-CG1 3.25Å; C538-I542 WeakPolarHBondContact O-CG1 3.37Å; C538-I542 PolarHBondContact O-N 3.05Å | ||
| 539 | S | 83.5 | Confident | 86 | Confident | 42 Ų | 42 | 32 Ų | 32 | 29% | 0.294 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -55.6 | -42.5 | -172.5 | 57.4 | 0 | 0 | 0 | 0 | 113.9 | I542 D543 | S539-I542 PolarHBondContact O-N 3.32Å; S539-D543 PolarHBondContact O-N 3.05Å |
| 540 | S | 86.1 | Confident | 86.3 | Confident | 58 Ų | 58 | 32 Ų | 32 | 41% | 0.406 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -66 | -40.7 | 177.3 | 60.3 | 0 | 0 | 0 | 0 | 112.5 | C538 D543 I544 | C538-S540 VanDerWaalsContact C-N 3.33Å; C538-S540 PolarHBondContact O-N 3.09Å; S540-D543 PolarHBondContact O-N 3.03Å; S540-I544 WeakPolarHBondContact O-CD1 3.18Å; S540-I544 VanDerWaalsContact O-CG1 3.23Å; S540-I544 WeakPolarHBondContact O-CG1 3.35Å; S540-I544 PolarHBondContact O-N 3.15Å; S540-I544 VanDerWaalsContact O-N 3.07Å |
| 541 | L | 87.8 | Confident | 86.6 | Confident | 25 Ų | 25 | 36 Ų | 36 | 13% | 0.131 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -68.8 | -38.5 | 177.9 | -57.4 | -179.7 | 0 | 0 | 0 | 111.5 | F465 A530 H534 C538 I544 C545 | F465-L541 HydrophobicContact CD1-CD1 4.24Å; F465-L541 HydrophobicContact CD1-CD2 3.88Å; F465-L541 HydrophobicContact CD1-CG 4.47Å; F465-L541 HydrophobicContact CE1-CB 4Å; F465-L541 HydrophobicContact CE1-CD1 4.45Å; F465-L541 HydrophobicContact CE1-CD2 3.66Å; F465-L541 HydrophobicContact CE1-CG 4.24Å; F465-L541 HydrophobicContact CE2-CB 4.39Å; F465-L541 HydrophobicContact CG-CD1 4.42Å; F465-L541 HydrophobicContact CZ-CB 3.87Å; F465-L541 HydrophobicContact CZ-CD2 4.4Å; A530-L541 HydrophobicContact CB-CB 3.88Å; A530-L541 HydrophobicContact CB-CD1 4.04Å; H534-L541 HydrophobicContact CB-CD1 4.35Å; C538-L541 PolarHBondContact O-N 2.74Å; L541-I544 PolarHBondContact O-N 3.16Å; L541-C545 PolarHBondContact O-N 3.06Å; L541-C545 VanDerWaalsContact O-N 3.14Å |
| 542 | I | 89.3 | Confident | 87 | Confident | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.5 | -49.6 | 173.9 | -63.8 | 174.6 | 0 | 0 | 0 | 109.6 | V527 M531 C538 S539 I544 C545 L546 P578 M609 | V527-I542 HydrophobicContact CG1-CD1 4.34Å; V527-I542 HydrophobicContact CG1-CG1 4.02Å; V527-I542 HydrophobicContact CG1-CG2 4.48Å; V527-I542 HydrophobicContact CG2-CG2 4.35Å; M531-I542 HydrophobicContact CG-CD1 4.19Å; C538-I542 HydrophobicContact CB-CD1 4.09Å; C538-I542 HydrophobicContact CB-CG1 4.36Å; C538-I542 VanDerWaalsContact O-CG1 3.25Å; C538-I542 WeakPolarHBondContact O-CG1 3.37Å; C538-I542 PolarHBondContact O-N 3.05Å; S539-I542 PolarHBondContact O-N 3.32Å; I542-I544 VanDerWaalsContact C-N 3.26Å; I542-I544 PolarHBondContact O-N 3.41Å; I542-C545 WeakPolarHBondContact O-CB 3.34Å; I542-C545 PolarHBondContact O-N 3.01Å; I542-C545 VanDerWaalsContact O-N 3.08Å; I542-L546 HydrophobicContact CG2-CD1 3.96Å; I542-L546 HydrophobicContact CG2-CG 4.19Å; I542-L546 WeakPolarHBondContact O-CG 3.22Å; I542-L546 PolarHBondContact O-N 2.99Å; I542-P578 HydrophobicContact CD1-CB 4.27Å; I542-P578 HydrophobicContact CD1-CG 4.46Å; I542-P578 HydrophobicContact CG2-CB 4.31Å; I542-P578 HydrophobicContact CG2-CG 3.66Å; I542-M609 HydrophobicContact CB-SD 4.08Å; I542-M609 HydrophobicContact CG2-CE 3.94Å; I542-M609 HydrophobicContact CG2-SD 3.72Å |
| 543 | D | 92.1 | Very high | 87.4 | Confident | 30 Ų | 30 | 35.6 Ų | 35.6 | 16% | 0.16 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -62.2 | -34.6 | -179.2 | -160.6 | 27.7 | 0 | 0 | 0 | 112.2 | S539 S540 L546 N547 M609 S610 G611 | S539-D543 PolarHBondContact O-N 3.05Å; S540-D543 PolarHBondContact O-N 3.03Å; D543-L546 PolarHBondContact O-N 3.13Å; D543-N547 WeakPolarHBondContact O-CB 3.32Å; D543-N547 PolarHBondContact O-N 3.35Å; D543-N547 PolarHBondContact O-ND2 3.46Å; D543-N547 PolarHBondContact OD1-ND2 3.28Å; D543-M609 HydrophobicContact CB-CB 4.19Å; D543-M609 HydrophobicContact CB-CG 3.94Å; D543-M609 HydrophobicContact CB-SD 3.96Å; D543-M609 WeakPolarHBondContact OD1-CB 3.46Å; D543-S610 PolarHBondContact OD1-N 3.44Å; D543-S610 VanDerWaalsContact OD1-N 3.07Å; D543-S610 PolarHBondContact OD2-N 2.97Å; D543-S610 VanDerWaalsContact OD2-N 3.09Å; D543-S610 PolarHBondContact OD2-OG 2.91Å; D543-G611 WeakPolarHBondContact OD1-CA 2.93Å; D543-G611 PolarHBondContact OD1-N 3.39Å |
| 544 | I | 92.9 | Very high | 87.7 | Confident | 64 Ų | 64 | 37.2 Ų | 37.2 | 33% | 0.328 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -62.4 | -45.4 | 173.5 | -72 | 165.4 | 0 | 0 | 0 | 111 | F469 S540 L541 I542 N547 A548 | F469-I544 HydrophobicContact CD1-CG2 4.42Å; F469-I544 HydrophobicContact CD2-CG2 4.28Å; F469-I544 HydrophobicContact CE1-CG2 3.66Å; F469-I544 HydrophobicContact CE2-CG2 3.52Å; F469-I544 HydrophobicContact CZ-CG2 3.16Å; S540-I544 WeakPolarHBondContact O-CD1 3.18Å; S540-I544 VanDerWaalsContact O-CG1 3.23Å; S540-I544 WeakPolarHBondContact O-CG1 3.35Å; S540-I544 PolarHBondContact O-N 3.15Å; S540-I544 VanDerWaalsContact O-N 3.07Å; L541-I544 PolarHBondContact O-N 3.16Å; I542-I544 VanDerWaalsContact C-N 3.26Å; I542-I544 PolarHBondContact O-N 3.41Å; I544-N547 PolarHBondContact O-N 3.41Å; I544-A548 WeakPolarHBondContact O-CB 3.44Å; I544-A548 PolarHBondContact O-N 3.36Å |
| 545 | C | 94.1 | Very high | 87.9 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63.2 | -41.9 | 175 | -75.2 | 0 | 0 | 0 | 0 | 112.6 | Y523 V527 L541 I542 A548 T549 | Y523-C545 HydrophobicContact CD1-CB 4.06Å; Y523-C545 HydrophobicContact CG-CB 4.48Å; V527-C545 HydrophobicContact CG2-CB 3.72Å; L541-C545 PolarHBondContact O-N 3.06Å; L541-C545 VanDerWaalsContact O-N 3.14Å; I542-C545 WeakPolarHBondContact O-CB 3.34Å; I542-C545 PolarHBondContact O-N 3.01Å; I542-C545 VanDerWaalsContact O-N 3.08Å; C545-A548 PolarHBondContact O-N 2.92Å; C545-T549 WeakPolarHBondContact O-CB 3.46Å; C545-T549 PolarHBondContact O-N 3.36Å; C545-T549 PolarHBondContact O-OG1 2.99Å |
| 546 | L | 94.5 | Very high | 88.2 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -65.8 | -42.3 | 178.2 | -63.5 | 177.9 | 0 | 0 | 0 | 111.4 | I542 D543 T549 A550 L574 L575 M609 F612 L615 | I542-L546 HydrophobicContact CG2-CD1 3.96Å; I542-L546 HydrophobicContact CG2-CG 4.19Å; I542-L546 WeakPolarHBondContact O-CG 3.22Å; I542-L546 PolarHBondContact O-N 2.99Å; D543-L546 PolarHBondContact O-N 3.13Å; L546-T549 WeakPolarHBondContact O-CB 3.39Å; L546-T549 PolarHBondContact O-N 2.91Å; L546-A550 PolarHBondContact O-N 3.46Å; L546-L574 HydrophobicContact CD2-CD1 4.11Å; L546-L574 HydrophobicContact CD2-CD2 3.91Å; L546-L574 HydrophobicContact CD2-CG 3.69Å; L546-L575 HydrophobicContact CD2-CD2 4.37Å; L546-M609 HydrophobicContact CD1-CE 3.8Å; L546-M609 HydrophobicContact CD1-SD 4.02Å; L546-F612 HydrophobicContact CD1-CB 3.88Å; L546-L615 HydrophobicContact CB-CD1 3.94Å; L546-L615 HydrophobicContact CD2-CD1 3.71Å; L546-L615 HydrophobicContact CG-CD1 4.39Å |
| 547 | N | 95.2 | Very high | 88.7 | Confident | 31 Ų | 31 | 31.6 Ų | 31.6 | 17% | 0.166 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -63.5 | -45.9 | 174.8 | -84.7 | -63.5 | 0 | 0 | 0 | 112 | D543 I544 T549 A550 D551 S610 G611 R614 | D543-N547 WeakPolarHBondContact O-CB 3.32Å; D543-N547 PolarHBondContact O-N 3.35Å; D543-N547 PolarHBondContact O-ND2 3.46Å; D543-N547 PolarHBondContact OD1-ND2 3.28Å; I544-N547 PolarHBondContact O-N 3.41Å; N547-T549 VanDerWaalsContact C-N 3.28Å; N547-T549 PolarHBondContact O-N 3.03Å; N547-A550 CarbonylContact O-C 3.59Å; N547-A550 WeakPolarHBondContact O-CA 3.39Å; N547-A550 WeakPolarHBondContact O-CB 3.37Å; N547-A550 PolarHBondContact O-N 2.87Å; N547-D551 WeakPolarHBondContact O-CB 3.45Å; N547-D551 PolarHBondContact O-N 3.39Å; N547-S610 PolarHBondContact ND2-OG 3.43Å; N547-G611 PolarHBondContact ND2-N 3.44Å; N547-G611 WeakPolarHBondContact OD1-CA 3.49Å; N547-R614 WeakPolarHBondContact OD1-CD 3.22Å; N547-R614 PolarHBondContact OD1-NH1 2.98Å |
| 548 | A | 95.4 | Very high | 88.9 | Confident | 12 Ų | 12 | 29.9 Ų | 29.9 | 10% | 0.099 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -62.1 | -37.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112 | F469 Y523 I544 C545 D551 A552 | F469-A548 HydrophobicContact CE2-CB 3.96Å; F469-A548 HydrophobicContact CZ-CB 3.96Å; Y523-A548 HydrophobicContact CD1-CB 4.46Å; Y523-A548 HydrophobicContact CE1-CB 3.6Å; Y523-A548 HydrophobicContact CE2-CB 4.37Å; Y523-A548 WeakPolarHBondContact OH-CB 3.33Å; I544-A548 WeakPolarHBondContact O-CB 3.44Å; I544-A548 PolarHBondContact O-N 3.36Å; C545-A548 PolarHBondContact O-N 2.92Å; A548-D551 PolarHBondContact O-N 2.91Å; A548-A552 WeakPolarHBondContact O-CB 3.42Å; A548-A552 PolarHBondContact O-N 3.44Å |
| 549 | T | 95.1 | Very high | 88.9 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -60.8 | -48 | 171 | -52.2 | 0 | 0 | 0 | 0 | 110.8 | I519 P520 Y523 C545 L546 N547 D551 A552 L553 L574 L615 | I519-T549 HydrophobicContact CG2-CG2 4.23Å; P520-T549 HydrophobicContact CB-CG2 4.21Å; Y523-T549 WeakPolarHBondContact CB-OG1 3.31Å; Y523-T549 HydrophobicContact CD2-CG2 4.33Å; Y523-T549 WeakPolarHBondContact CD2-OG1 3.48Å; Y523-T549 VanDerWaalsContact CG-OG1 3.31Å; C545-T549 WeakPolarHBondContact O-CB 3.46Å; C545-T549 PolarHBondContact O-N 3.36Å; C545-T549 PolarHBondContact O-OG1 2.99Å; L546-T549 WeakPolarHBondContact O-CB 3.39Å; L546-T549 PolarHBondContact O-N 2.91Å; N547-T549 VanDerWaalsContact C-N 3.28Å; N547-T549 PolarHBondContact O-N 3.03Å; T549-D551 PolarHBondContact O-N 3.14Å; T549-A552 PolarHBondContact O-N 2.64Å; T549-L553 HydrophobicContact CG2-CD1 4.06Å; T549-L553 WeakPolarHBondContact O-CG 3.41Å; T549-L553 PolarHBondContact O-N 3.41Å; T549-L574 HydrophobicContact CG2-CD2 3.89Å; T549-L574 WeakPolarHBondContact OG1-CD2 3Å; T549-L615 HydrophobicContact CG2-CD1 4.37Å; T549-L615 HydrophobicContact CG2-CD2 3.97Å |
| 550 | A | 93.6 | Very high | 89 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63.3 | -41.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | L546 N547 L553 N554 R614 L615 | L546-A550 PolarHBondContact O-N 3.46Å; N547-A550 CarbonylContact O-C 3.59Å; N547-A550 WeakPolarHBondContact O-CA 3.39Å; N547-A550 WeakPolarHBondContact O-CB 3.37Å; N547-A550 PolarHBondContact O-N 2.87Å; A550-L553 PolarHBondContact O-N 3.01Å; A550-N554 WeakPolarHBondContact O-CB 3.45Å; A550-N554 PolarHBondContact O-N 2.93Å; A550-N554 PolarHBondContact O-ND2 3.39Å; A550-R614 HydrophobicContact CB-CB 3.96Å; A550-L615 HydrophobicContact CB-CD2 3.74Å; A550-L615 HydrophobicContact CB-CG 4.1Å |
| 551 | D | 93.2 | Very high | 89.1 | Confident | 83 Ų | 83 | 34.8 Ų | 34.8 | 44% | 0.444 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -62.8 | -45.9 | 177.5 | -66.4 | -27.7 | 0 | 0 | 0 | 110.9 | N547 A548 T549 L553 N554 H555 R614 | N547-D551 WeakPolarHBondContact O-CB 3.45Å; N547-D551 PolarHBondContact O-N 3.39Å; A548-D551 PolarHBondContact O-N 2.91Å; T549-D551 PolarHBondContact O-N 3.14Å; D551-L553 PolarHBondContact O-N 3.28Å; D551-N554 PolarHBondContact O-N 3.43Å; D551-H555 VanDerWaalsContact O-CB 3.26Å; D551-H555 WeakPolarHBondContact O-CB 3.5Å; D551-H555 PolarHBondContact O-N 3.4Å; D551-R614 IonicContact OD1-CZ 3.23Å; D551-R614 IonicContact OD1-NH1 3.41Å; D551-R614 PolarHBondContact OD1-NH1 3.08Å; D551-R614 IonicContact OD1-NH2 2.8Å; D551-R614 PolarHBondContact OD1-NH2 3.43Å; D551-R614 IonicContact OD2-NH1 3.9Å |
| 552 | A | 90.8 | Very high | 88.9 | Confident | 9 Ų | 9 | 37.5 Ų | 37.5 | 7% | 0.074 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63.4 | -41.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | I476 L480 I519 A548 T549 V556 | I476-A552 HydrophobicContact CG2-CB 4.07Å; L480-A552 HydrophobicContact CD1-CB 4.2Å; I519-A552 HydrophobicContact CD1-CB 4.26Å; I519-A552 HydrophobicContact CG2-CB 3.8Å; A548-A552 WeakPolarHBondContact O-CB 3.42Å; A548-A552 PolarHBondContact O-N 3.44Å; T549-A552 PolarHBondContact O-N 2.64Å; A552-V556 PolarHBondContact O-N 3.29Å |
| 553 | L | 90.5 | Very high | 88.7 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -71.6 | -38.9 | 177.2 | -65.9 | 175.8 | 0 | 0 | 0 | 112.3 | I519 T549 A550 D551 H555 V556 L558 L567 L615 L618 | I519-L553 HydrophobicContact CD1-CD2 4.07Å; T549-L553 HydrophobicContact CG2-CD1 4.06Å; T549-L553 WeakPolarHBondContact O-CG 3.41Å; T549-L553 PolarHBondContact O-N 3.41Å; A550-L553 PolarHBondContact O-N 3.01Å; D551-L553 PolarHBondContact O-N 3.28Å; L553-H555 VanDerWaalsContact C-N 3.34Å; L553-V556 PolarHBondContact O-N 2.99Å; L553-L558 HydrophobicContact CB-CD1 4.34Å; L553-L558 HydrophobicContact CD2-CD1 3.81Å; L553-L558 PolarHBondContact O-N 3.48Å; L553-L567 HydrophobicContact CD2-CD1 4.08Å; L553-L567 HydrophobicContact CD2-CD2 4.43Å; L553-L615 HydrophobicContact CD1-CD2 4.16Å; L553-L618 HydrophobicContact CB-CD1 4.17Å; L553-L618 HydrophobicContact CD1-CD1 4.12Å |
| 554 | N | 87.1 | Confident | 88.2 | Confident | 71 Ų | 71 | 42.4 Ų | 42.4 | 38% | 0.38 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -66.8 | -35.9 | 175.7 | -77 | -41.7 | 0 | 0 | 0 | 112 | A550 D551 V556 G557 R614 | A550-N554 WeakPolarHBondContact O-CB 3.45Å; A550-N554 PolarHBondContact O-N 2.93Å; A550-N554 PolarHBondContact O-ND2 3.39Å; D551-N554 PolarHBondContact O-N 3.43Å; N554-V556 PolarHBondContact O-N 3.44Å; N554-G557 WeakPolarHBondContact O-CA 3.31Å; N554-G557 PolarHBondContact O-N 3.39Å; N554-R614 PolarHBondContact ND2-NH2 3.38Å |
| 555 | H | 83.7 | Confident | 87.9 | Confident | 91 Ų | 91 | 40.8 Ų | 40.8 | 42% | 0.421 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -59.9 | -33.3 | 175.7 | -175.2 | 68.1 | 0 | 0 | 0 | 112 | E484 D551 L553 G557 | E484-H555 IonicContact OE1-CE1 2.87Å; E484-H555 PolarHBondContact OE1-CE1 2.98Å; E484-H555 VanDerWaalsContact OE1-CE1 3.27Å; E484-H555 IonicContact OE1-NE2 3.43Å; E484-H555 PolarHBondContact OE1-NE2 3.44Å; E484-H555 VanDerWaalsContact OE1-NE2 3.16Å; D551-H555 VanDerWaalsContact O-CB 3.26Å; D551-H555 WeakPolarHBondContact O-CB 3.5Å; D551-H555 PolarHBondContact O-N 3.4Å; L553-H555 VanDerWaalsContact C-N 3.34Å; H555-G557 PolarHBondContact O-N 3.23Å |
| 556 | V | 80.8 | Confident | 87.6 | Confident | 14 Ų | 14 | 43 Ų | 43 | 9% | 0.085 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | -8.1 | 173.7 | 174.7 | 0 | 0 | 0 | 0 | 112.8 | L480 I505 L516 A552 L553 N554 L558 | L480-V556 HydrophobicContact CD2-CG2 3.45Å; L480-V556 VanDerWaalsContact CD2-CG2 3.45Å; I505-V556 HydrophobicContact CB-CG1 4.11Å; I505-V556 WeakPolarHBondContact CD1-O 3.49Å; I505-V556 HydrophobicContact CG2-CG1 3.54Å; L516-V556 HydrophobicContact CD1-CG1 4.08Å; L516-V556 HydrophobicContact CD2-CG1 4.08Å; L516-V556 HydrophobicContact CD2-CG2 4Å; A552-V556 PolarHBondContact O-N 3.29Å; L553-V556 PolarHBondContact O-N 2.99Å; N554-V556 PolarHBondContact O-N 3.44Å; V556-L558 HydrophobicContact CG1-CG 4.21Å |
| 557 | G | 79.1 | Confident | 87.3 | Confident | 56 Ų | 56 | 43.4 Ų | 43.4 | 58% | 0.577 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.4 | 21.4 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | N554 H555 V559 | N554-G557 WeakPolarHBondContact O-CA 3.31Å; N554-G557 PolarHBondContact O-N 3.39Å; H555-G557 PolarHBondContact O-N 3.23Å; G557-V559 PolarHBondContact O-N 2.87Å |
| 558 | L | 80.3 | Confident | 87.1 | Confident | 33 Ų | 33 | 41.9 Ų | 41.9 | 17% | 0.173 | 27% | 0.27 | C | S | . | . | trans | -72.3 | 119.9 | 173.4 | -75.6 | 170.1 | 0 | 0 | 0 | 110.2 | L516 L553 V556 L567 | L516-L558 HydrophobicContact CD1-CD1 3.87Å; L516-L558 HydrophobicContact CD1-CG 4.49Å; L553-L558 HydrophobicContact CB-CD1 4.34Å; L553-L558 HydrophobicContact CD2-CD1 3.81Å; L553-L558 PolarHBondContact O-N 3.48Å; V556-L558 HydrophobicContact CG1-CG 4.21Å; L558-L567 HydrophobicContact CD1-CD2 3.78Å | ||
| 559 | V | 81.5 | Confident | 86.7 | Confident | 121 Ų | 121 | 46.2 Ų | 46.2 | 73% | 0.733 | 28% | 0.283 | S | S | * | . | trans | -102.3 | -35.2 | 176.2 | -176.7 | 0 | 0 | 0 | 0 | 111.6 | G557 | G557-V559 PolarHBondContact O-N 2.87Š| ||
| 560 | L | 86.7 | Confident | 86.3 | Confident | 90 Ų | 90 | 47 Ų | 47 | 47% | 0.471 | 29% | 0.288 | S | S | . | . | trans | -143.3 | 131.2 | -177.7 | -167.7 | 68.6 | 0 | 0 | 0 | 110.5 | ||||
| 561 | I | 87.1 | Confident | 86.3 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 29% | 0.288 | C | S | . | . | B | Isolated β-bridge | trans | -95 | 121.9 | 179.4 | -61.2 | 169.2 | 0 | 0 | 0 | 109.2 | L567 L571 L618 | I561-L567 HydrophobicContact CD1-CD2 4.06Å; I561-L567 HydrophobicContact CD1-CG 4.16Å; I561-L567 HydrophobicContact CG1-CD2 3.97Å; I561-L567 HydrophobicContact CG1-CG 4.45Å; I561-L567 HydrophobicContact CG2-CB 4.36Å; I561-L567 HydrophobicContact CG2-CD2 4.14Å; I561-L567 HydrophobicContact CG2-CG 4.06Å; I561-L571 HydrophobicContact CD1-CD2 3.36Å; I561-L618 HydrophobicContact CD1-CB 3.93Å; I561-L618 HydrophobicContact CG1-CB 4.3Å; I561-L618 PolarHBondContact N-O 2.89Å |
| 562 | P | 84.5 | Confident | 86.1 | Confident | 83 Ų | 83 | 43.2 Ų | 43.2 | 54% | 0.539 | 27% | 0.267 | S | S | . | . | P | Polyproline II helix | trans | -60.7 | 140 | 178.4 | -22.8 | 32.3 | 0 | 0 | 0 | 112.4 | S565 | P562-S565 WeakPolarHBondContact O-CB 3.46Å; P562-S565 PolarHBondContact O-N 3.42Å; P562-S565 PolarHBondContact O-OG 3.4Å |
| 563 | P | 83.9 | Confident | 85.8 | Confident | 72 Ų | 72 | 46 Ų | 46 | 47% | 0.468 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | 141.8 | 179.3 | 27.1 | -34.1 | 0 | 0 | 0 | 111.5 | S565 T623 T624 | P563-S565 PolarHBondContact O-N 3.31Å; P563-S565 VanDerWaalsContact O-N 3.16Å; P563-T623 WeakPolarHBondContact CB-OG1 3.34Å; P563-T624 HydrophobicContact CB-CG2 3.93Å |
| 564 | G | 81.6 | Confident | 85.8 | Confident | 60 Ų | 60 | 46 Ų | 46 | 62% | 0.619 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.8 | -6.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | S568 | G564-S568 PolarHBondContact N-OG 2.91Š|
| 565 | S | 87.8 | Confident | 85.9 | Confident | 30 Ų | 30 | 42.7 Ų | 42.7 | 21% | 0.21 | 26% | 0.258 | C | S | . | . | trans | -59.6 | 153.4 | 174.2 | 64.8 | 0 | 0 | 0 | 0 | 112 | P562 P563 L567 S568 R569 | P562-S565 WeakPolarHBondContact O-CB 3.46Å; P562-S565 PolarHBondContact O-N 3.42Å; P562-S565 PolarHBondContact O-OG 3.4Å; P563-S565 PolarHBondContact O-N 3.31Å; P563-S565 VanDerWaalsContact O-N 3.16Å; S565-L567 PolarHBondContact O-N 2.86Å; S565-S568 PolarHBondContact N-OG 2.97Å; S565-S568 VanDerWaalsContact N-OG 3.13Å; S565-S568 PolarHBondContact O-N 3.35Å; S565-S568 PolarHBondContact O-OG 3.25Å; S565-S568 WeakPolarHBondContact OG-CB 3.48Å; S565-S568 PolarHBondContact OG-N 3.01Å; S565-S568 VanDerWaalsContact OG-N 3.09Å; S565-S568 PolarHBondContact OG-OG 3.45Å; S565-R569 WeakPolarHBondContact O-CG 3.04Å; S565-R569 PolarHBondContact O-N 3.17Å | ||
| 566 | S | 86.8 | Confident | 86 | Confident | 46 Ų | 46 | 39.4 Ų | 39.4 | 32% | 0.322 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -55.4 | -40.1 | 174.3 | -63.4 | 0 | 0 | 0 | 0 | 112.2 | S568 R569 D570 | S566-S568 PolarHBondContact O-N 3.48Å; S566-R569 PolarHBondContact O-N 3.21Å; S566-R569 PolarHBondContact OG-NH2 3.5Å; S566-R569 VanDerWaalsContact OG-NH2 3.09Å; S566-D570 PolarHBondContact O-N 3.32Å |
| 567 | L | 89.4 | Confident | 85.9 | Confident | 9 Ų | 9 | 39 Ų | 39 | 5% | 0.047 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -59 | -46.6 | 173.5 | 177 | 59.9 | 0 | 0 | 0 | 112.1 | L516 E517 P520 L553 L558 I561 S565 R569 D570 L571 | L516-L567 HydrophobicContact CB-CD1 4.44Å; L516-L567 HydrophobicContact CB-CD2 4.28Å; E517-L567 HydrophobicContact CB-CB 4.46Å; P520-L567 HydrophobicContact CG-CD1 4.1Å; L553-L567 HydrophobicContact CD2-CD1 4.08Å; L553-L567 HydrophobicContact CD2-CD2 4.43Å; L558-L567 HydrophobicContact CD1-CD2 3.78Å; I561-L567 HydrophobicContact CD1-CD2 4.06Å; I561-L567 HydrophobicContact CD1-CG 4.16Å; I561-L567 HydrophobicContact CG1-CD2 3.97Å; I561-L567 HydrophobicContact CG1-CG 4.45Å; I561-L567 HydrophobicContact CG2-CB 4.36Å; I561-L567 HydrophobicContact CG2-CD2 4.14Å; I561-L567 HydrophobicContact CG2-CG 4.06Å; S565-L567 PolarHBondContact O-N 2.86Å; L567-R569 VanDerWaalsContact C-N 3.26Å; L567-R569 PolarHBondContact O-N 2.75Å; L567-D570 PolarHBondContact O-N 3.15Å; L567-L571 WeakPolarHBondContact O-CB 3.47Å; L567-L571 PolarHBondContact O-N 3.01Å |
| 568 | S | 89.5 | Confident | 85.5 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -59.8 | -37.9 | 176.8 | 74.2 | 0 | 0 | 0 | 0 | 112.2 | G564 S565 S566 L572 | G564-S568 PolarHBondContact N-OG 2.91Å; S565-S568 PolarHBondContact N-OG 2.97Å; S565-S568 VanDerWaalsContact N-OG 3.13Å; S565-S568 PolarHBondContact O-N 3.35Å; S565-S568 PolarHBondContact O-OG 3.25Å; S565-S568 WeakPolarHBondContact OG-CB 3.48Å; S565-S568 PolarHBondContact OG-N 3.01Å; S565-S568 VanDerWaalsContact OG-N 3.09Å; S565-S568 PolarHBondContact OG-OG 3.45Å; S566-S568 PolarHBondContact O-N 3.48Å; S568-L572 VanDerWaalsContact O-CB 3.32Å; S568-L572 WeakPolarHBondContact O-CB 3.36Å; S568-L572 WeakPolarHBondContact O-CG 3.36Å; S568-L572 PolarHBondContact O-N 3.41Å |
| 569 | R | 87.7 | Confident | 84.8 | Confident | 102 Ų | 102 | 35.7 Ų | 35.7 | 39% | 0.385 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -69.1 | -47.5 | -179.5 | -67.4 | -172.1 | -68.5 | 163.4 | -0.2 | 111.6 | S565 S566 L567 L572 R573 M587 | S565-R569 WeakPolarHBondContact O-CG 3.04Å; S565-R569 PolarHBondContact O-N 3.17Å; S566-R569 PolarHBondContact O-N 3.21Å; S566-R569 PolarHBondContact OG-NH2 3.5Å; S566-R569 VanDerWaalsContact OG-NH2 3.09Å; L567-R569 VanDerWaalsContact C-N 3.26Å; L567-R569 PolarHBondContact O-N 2.75Å; R569-L572 PolarHBondContact O-N 3.46Å; R569-R573 WeakPolarHBondContact O-CG 3.44Å; R569-R573 PolarHBondContact O-N 3.43Å; R569-M587 HydrophobicContact CB-CE 3.66Å; R569-M587 HydrophobicContact CG-CE 3.47Å; R569-M587 VanDerWaalsContact CG-CE 3.47Å |
| 570 | D | 87.5 | Confident | 83.8 | Confident | 17 Ų | 17 | 32.1 Ų | 32.1 | 9% | 0.091 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -71.9 | -32.6 | 178.7 | -75.8 | -56.9 | 0 | 0 | 0 | 112.2 | K339 E517 P520 S566 L567 R573 L574 | K339-D570 IonicContact NZ-OD2 2.77Å; E517-D570 HydrophobicContact CB-CB 4.45Å; P520-D570 HydrophobicContact CG-CB 3.93Å; S566-D570 PolarHBondContact O-N 3.32Å; L567-D570 PolarHBondContact O-N 3.15Å; D570-R573 WeakPolarHBondContact O-CB 3.22Å; D570-R573 PolarHBondContact O-N 3.29Å; D570-R573 IonicContact OD1-CZ 3.6Å; D570-R573 IonicContact OD1-NH1 3.59Å; D570-R573 PolarHBondContact OD1-NH1 3.26Å; D570-L574 PolarHBondContact O-N 2.87Å; D570-L574 VanDerWaalsContact O-N 3.11Å |
| 571 | L | 92 | Very high | 82 | Confident | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -65.7 | -44.3 | 171.6 | -179.8 | 60.3 | 0 | 0 | 0 | 111.8 | I561 L567 R573 L574 L575 L615 L619 | I561-L571 HydrophobicContact CD1-CD2 3.36Å; L567-L571 WeakPolarHBondContact O-CB 3.47Å; L567-L571 PolarHBondContact O-N 3.01Å; L571-R573 VanDerWaalsContact C-N 3.29Å; L571-R573 PolarHBondContact O-N 3.02Å; L571-L574 HydrophobicContact CD1-CD2 4.5Å; L571-L574 WeakPolarHBondContact O-CB 3.42Å; L571-L574 PolarHBondContact O-N 3.09Å; L571-L574 VanDerWaalsContact O-N 3.16Å; L571-L575 HydrophobicContact CD1-CD1 4.42Å; L571-L575 HydrophobicContact CD1-CG 4.37Å; L571-L575 HydrophobicContact CG-CD1 4.1Å; L571-L575 HydrophobicContact CG-CG 4.47Å; L571-L575 WeakPolarHBondContact O-CG 3.35Å; L571-L575 PolarHBondContact O-N 2.86Å; L571-L615 HydrophobicContact CD1-CB 4.25Å; L571-L615 HydrophobicContact CD1-CD1 3.97Å; L571-L615 HydrophobicContact CD1-CD2 3.89Å; L571-L615 HydrophobicContact CD1-CG 4.25Å; L571-L619 HydrophobicContact CD2-CD2 3.74Å; L571-L619 HydrophobicContact CG-CD2 4.47Å |
| 572 | L | 89.1 | Confident | 79.8 | Confident | 3 Ų | 3 | 32.1 Ų | 32.1 | 2% | 0.016 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -61.9 | -38.5 | 174.9 | -77.2 | 174 | 0 | 0 | 0 | 111.6 | S568 R569 L574 L575 Y576 L619 L628 | S568-L572 VanDerWaalsContact O-CB 3.32Å; S568-L572 WeakPolarHBondContact O-CB 3.36Å; S568-L572 WeakPolarHBondContact O-CG 3.36Å; S568-L572 PolarHBondContact O-N 3.41Å; R569-L572 PolarHBondContact O-N 3.46Å; L572-L574 VanDerWaalsContact C-N 3.3Å; L572-L574 PolarHBondContact O-N 3.19Å; L572-L575 PolarHBondContact O-N 2.66Å; L572-L575 VanDerWaalsContact O-N 3.15Å; L572-Y576 HydrophobicContact CB-CD2 4.15Å; L572-Y576 HydrophobicContact CB-CE2 3.89Å; L572-Y576 HydrophobicContact CD2-CE2 4.06Å; L572-Y576 HydrophobicContact CG-CE2 4.42Å; L572-Y576 WeakPolarHBondContact O-CD2 3.4Å; L572-Y576 PolarHBondContact O-N 3.28Å; L572-L619 HydrophobicContact CD2-CD1 4.21Å; L572-L628 HydrophobicContact CD2-CB 4.13Å; L572-L628 HydrophobicContact CD2-CD1 4.2Å; L572-L628 HydrophobicContact CD2-CD2 4.35Å; L572-L628 HydrophobicContact CD2-CG 4.46Å |
| 573 | R | 85.8 | Confident | 77.9 | Confident | 69 Ų | 69 | 30.9 Ų | 30.9 | 26% | 0.26 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -57.1 | -44.6 | 173.1 | -73 | 172.3 | 178.2 | 159.6 | -1.8 | 112 | R569 D570 L571 L577 F583 | R569-R573 WeakPolarHBondContact O-CG 3.44Å; R569-R573 PolarHBondContact O-N 3.43Å; D570-R573 WeakPolarHBondContact O-CB 3.22Å; D570-R573 PolarHBondContact O-N 3.29Å; D570-R573 IonicContact OD1-CZ 3.6Å; D570-R573 IonicContact OD1-NH1 3.59Å; D570-R573 PolarHBondContact OD1-NH1 3.26Å; L571-R573 VanDerWaalsContact C-N 3.29Å; L571-R573 PolarHBondContact O-N 3.02Å; R573-L577 PolarHBondContact O-N 2.97Å; R573-F583 HydrophobicContact CB-CE1 4.15Å; R573-F583 HydrophobicContact CB-CZ 4.45Å; R573-F583 HydrophobicContact CG-CE1 3.75Å; R573-F583 HydrophobicContact CG-CZ 4.27Å |
| 574 | L | 90.4 | Very high | 75.6 | Confident | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -62.9 | -41.8 | 175.5 | 177.6 | 63.1 | 0 | 0 | 0 | 111.7 | P520 V527 L546 T549 D570 L571 L572 P578 L615 | P520-L574 HydrophobicContact CB-CB 4.29Å; P520-L574 HydrophobicContact CB-CD2 3.98Å; V527-L574 HydrophobicContact CG2-CD1 3.92Å; L546-L574 HydrophobicContact CD2-CD1 4.11Å; L546-L574 HydrophobicContact CD2-CD2 3.91Å; L546-L574 HydrophobicContact CD2-CG 3.69Å; T549-L574 HydrophobicContact CG2-CD2 3.89Å; T549-L574 WeakPolarHBondContact OG1-CD2 3Å; D570-L574 PolarHBondContact O-N 2.87Å; D570-L574 VanDerWaalsContact O-N 3.11Å; L571-L574 HydrophobicContact CD1-CD2 4.5Å; L571-L574 WeakPolarHBondContact O-CB 3.42Å; L571-L574 PolarHBondContact O-N 3.09Å; L571-L574 VanDerWaalsContact O-N 3.16Å; L572-L574 VanDerWaalsContact C-N 3.3Å; L572-L574 PolarHBondContact O-N 3.19Å; L574-P578 WeakPolarHBondContact O-CD 3.37Å; L574-L615 HydrophobicContact CD2-CD1 4.35Å |
| 575 | L | 89.6 | Confident | 73.5 | Confident | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -72 | -32.8 | -178 | -68.6 | 173.9 | 0 | 0 | 0 | 113.4 | L546 L571 L572 P578 L579 F612 L615 V616 L619 L628 | L546-L575 HydrophobicContact CD2-CD2 4.37Å; L571-L575 HydrophobicContact CD1-CD1 4.42Å; L571-L575 HydrophobicContact CD1-CG 4.37Å; L571-L575 HydrophobicContact CG-CD1 4.1Å; L571-L575 HydrophobicContact CG-CG 4.47Å; L571-L575 WeakPolarHBondContact O-CG 3.35Å; L571-L575 PolarHBondContact O-N 2.86Å; L572-L575 PolarHBondContact O-N 2.66Å; L572-L575 VanDerWaalsContact O-N 3.15Å; L575-P578 WeakPolarHBondContact O-CD 3.34Å; L575-L579 VanDerWaalsContact O-CD1 3.22Å; L575-L579 WeakPolarHBondContact O-CD1 3.41Å; L575-F612 HydrophobicContact CB-CE2 4.26Å; L575-F612 HydrophobicContact CD2-CD2 3.59Å; L575-F612 HydrophobicContact CD2-CE2 3.82Å; L575-F612 HydrophobicContact CD2-CG 4.48Å; L575-L615 HydrophobicContact CD2-CB 3.96Å; L575-L615 HydrophobicContact CD2-CD1 4Å; L575-V616 HydrophobicContact CD1-CG2 4.43Å; L575-L619 HydrophobicContact CD1-CD1 3.98Å; L575-L628 HydrophobicContact CD1-CD2 3.88Å |
| 576 | Y | 84.3 | Confident | 70.9 | Confident | 22 Ų | 22 | 39.5 Ų | 39.5 | 9% | 0.086 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -77 | -25.1 | 176.5 | -72.5 | -61.6 | 0 | 0 | 0 | 113.4 | L572 L579 D580 L628 D631 | L572-Y576 HydrophobicContact CB-CD2 4.15Å; L572-Y576 HydrophobicContact CB-CE2 3.89Å; L572-Y576 HydrophobicContact CD2-CE2 4.06Å; L572-Y576 HydrophobicContact CG-CE2 4.42Å; L572-Y576 WeakPolarHBondContact O-CD2 3.4Å; L572-Y576 PolarHBondContact O-N 3.28Å; Y576-L579 WeakPolarHBondContact O-CB 3.49Å; Y576-L579 PolarHBondContact O-N 2.59Å; Y576-D580 PolarHBondContact O-N 2.97Å; Y576-D580 VanDerWaalsContact O-N 3.1Å; Y576-L628 HydrophobicContact CD1-CD1 4.09Å; Y576-L628 HydrophobicContact CE1-CD1 3.57Å; Y576-L628 HydrophobicContact CE2-CD1 4.42Å; Y576-D631 HydrophobicContact CE1-CB 3.78Å; Y576-D631 PolarHBondContact OH-OD2 3.27Å |
| 577 | L | 79.5 | Confident | 68.3 | Low | 5 Ų | 5 | 39.8 Ų | 39.8 | 3% | 0.026 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | -39.7 | -173.8 | -164.6 | 63.6 | 0 | 0 | 0 | 114.3 | S524 V527 M531 R573 L579 I593 | S524-L577 WeakPolarHBondContact O-CD2 3.45Å; V527-L577 HydrophobicContact CB-CD2 3.86Å; V527-L577 HydrophobicContact CG1-CB 4.4Å; V527-L577 HydrophobicContact CG1-CD2 3.48Å; V527-L577 VanDerWaalsContact CG1-CD2 3.48Å; V527-L577 HydrophobicContact CG1-CG 3.98Å; M531-L577 HydrophobicContact SD-CG 4.22Å; R573-L577 PolarHBondContact O-N 2.97Å; L577-L579 VanDerWaalsContact C-N 3.25Å; L577-L579 PolarHBondContact O-N 2.88Å; L577-I593 HydrophobicContact CD1-CB 4.4Å; L577-I593 HydrophobicContact CD1-CG2 4.09Å |
| 578 | P | 71.2 | Confident | 65.5 | Low | 1 Ų | 1 | 45.7 Ų | 45.7 | 1% | 0.006 | 25% | 0.25 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | -17.2 | 175.5 | -19.7 | 34.2 | 0 | 0 | 0 | 114.5 | I542 L574 L575 S601 V606 M609 | I542-P578 HydrophobicContact CD1-CB 4.27Å; I542-P578 HydrophobicContact CD1-CG 4.46Å; I542-P578 HydrophobicContact CG2-CB 4.31Å; I542-P578 HydrophobicContact CG2-CG 3.66Å; L574-P578 WeakPolarHBondContact O-CD 3.37Å; L575-P578 WeakPolarHBondContact O-CD 3.34Å; P578-S601 WeakPolarHBondContact CB-OG 3.23Å; P578-S601 PolarHBondContact O-N 3.07Å; P578-S601 PolarHBondContact O-OG 3.43Å; P578-V606 HydrophobicContact CB-CG2 4.21Å; P578-M609 HydrophobicContact CB-CE 4.28Å; P578-M609 HydrophobicContact CG-CE 4.33Å |
| 579 | L | 65.7 | Low | 62.9 | Low | 20 Ų | 20 | 46.9 Ų | 46.9 | 11% | 0.105 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.4 | -37.5 | -165.6 | -67.9 | 154.9 | 0 | 0 | 0 | 113.4 | L575 Y576 L577 V606 F612 L632 | L575-L579 VanDerWaalsContact O-CD1 3.22Å; L575-L579 WeakPolarHBondContact O-CD1 3.41Å; Y576-L579 WeakPolarHBondContact O-CB 3.49Å; Y576-L579 PolarHBondContact O-N 2.59Å; L577-L579 VanDerWaalsContact C-N 3.25Å; L577-L579 PolarHBondContact O-N 2.88Å; L579-V606 HydrophobicContact CD1-CG1 4.33Å; L579-V606 HydrophobicContact CD2-CB 3.83Å; L579-V606 HydrophobicContact CD2-CG1 3.9Å; L579-V606 HydrophobicContact CD2-CG2 3.46Å; L579-V606 VanDerWaalsContact CD2-CG2 3.46Å; L579-V606 HydrophobicContact CG-CG1 4.18Å; L579-V606 HydrophobicContact CG-CG2 4.02Å; L579-F612 HydrophobicContact CD1-CE2 4.46Å; L579-L632 HydrophobicContact CB-CD2 4.5Å; L579-L632 HydrophobicContact CD1-CD1 4.38Å; L579-L632 HydrophobicContact CD1-CD2 3.15Å; L579-L632 HydrophobicContact CD1-CG 3.95Å; L579-L632 HydrophobicContact CD2-CD2 3.25Å; L579-L632 HydrophobicContact CG-CD2 3.72Å |
| 580 | D | 59.1 | Low | 60.3 | Low | 45 Ų | 45 | 49 Ų | 49 | 24% | 0.241 | 29% | 0.286 | C | S | . | . | trans | -147.2 | 137.2 | -176.3 | -158.6 | -12.1 | 0 | 0 | 0 | 111.3 | Y576 S582 | Y576-D580 PolarHBondContact O-N 2.97Å; Y576-D580 VanDerWaalsContact O-N 3.1Å; D580-S582 VanDerWaalsContact CG-O 3.27Å; D580-S582 PolarHBondContact O-N 3.06Å; D580-S582 VanDerWaalsContact OD1-CB 3.29Å; D580-S582 WeakPolarHBondContact OD1-CB 3.43Å; D580-S582 PolarHBondContact OD1-N 3.2Å; D580-S582 PolarHBondContact OD1-OG 3.46Å; D580-S582 VanDerWaalsContact OD2-O 3.04Å | ||
| 581 | G | 49.8 | Very low | 57.9 | Low | 17 Ų | 17 | 54.6 Ų | 54.6 | 18% | 0.175 | 31% | 0.312 | C | S | . | . | S | Bend | trans | -77.3 | -3.6 | 166.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 582 | S | 40.2 | Very low | 55.3 | Low | 73 Ų | 73 | 65.1 Ų | 65.1 | 51% | 0.51 | 35% | 0.351 | S | S | . | . | S | Bend | trans | -120 | 104.5 | -172.7 | -21.8 | 0 | 0 | 0 | 0 | 109.6 | D580 | D580-S582 VanDerWaalsContact CG-O 3.27Å; D580-S582 PolarHBondContact O-N 3.06Å; D580-S582 VanDerWaalsContact OD1-CB 3.29Å; D580-S582 WeakPolarHBondContact OD1-CB 3.43Å; D580-S582 PolarHBondContact OD1-N 3.2Å; D580-S582 PolarHBondContact OD1-OG 3.46Å; D580-S582 VanDerWaalsContact OD2-O 3.04Å |
| 583 | F | 44.4 | Very low | 53.3 | Low | 57 Ų | 57 | 66.4 Ų | 66.4 | 25% | 0.25 | 36% | 0.358 | C | S | . | . | trans | -61.6 | 143.8 | 172.7 | -78.9 | -85.1 | 0 | 0 | 0 | 111.2 | R573 Q585 | R573-F583 HydrophobicContact CB-CE1 4.15Å; R573-F583 HydrophobicContact CB-CZ 4.45Å; R573-F583 HydrophobicContact CG-CE1 3.75Å; R573-F583 HydrophobicContact CG-CZ 4.27Å; F583-Q585 PolarHBondContact O-N 2.85Å | ||
| 584 | P | 37.1 | Very low | 51.3 | Low | 49 Ų | 49 | 67.1 Ų | 67.1 | 32% | 0.318 | 37% | 0.374 | S | S | . | . | trans | -55.2 | 128.9 | 163.6 | 21.2 | -29.1 | 0 | 0 | 0 | 108.7 | S586 M587 | P584-S586 PolarHBondContact O-N 3.21Å; P584-M587 PolarHBondContact O-N 2.96Å | ||
| 585 | Q | 36.7 | Very low | 49.3 | Very low | 200 Ų | 200 | 67.2 Ų | 67.2 | 94% | 0.935 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | -17.1 | -170.8 | -65.3 | 179.2 | 4.4 | 0 | 0 | 113.9 | F583 M587 | F583-Q585 PolarHBondContact O-N 2.85Å; Q585-M587 PolarHBondContact O-N 2.9Å |
| 586 | S | 32.9 | Very low | 47.3 | Very low | 94 Ų | 94 | 69.5 Ų | 69.5 | 66% | 0.657 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.2 | -3.8 | -175.9 | 100.3 | 0 | 0 | 0 | 0 | 115 | P584 | P584-S586 PolarHBondContact O-N 3.21Š|
| 587 | M | 32.9 | Very low | 45.5 | Very low | 53 Ų | 53 | 74 Ų | 74 | 26% | 0.261 | 42% | 0.419 | S | S | . | . | trans | -117.8 | 66.6 | -175.6 | -69.1 | -75.9 | -82.6 | 0 | 0 | 111.6 | R569 P584 Q585 G589 | R569-M587 HydrophobicContact CB-CE 3.66Å; R569-M587 HydrophobicContact CG-CE 3.47Å; R569-M587 VanDerWaalsContact CG-CE 3.47Å; P584-M587 PolarHBondContact O-N 2.96Å; Q585-M587 PolarHBondContact O-N 2.9Å; M587-G589 PolarHBondContact O-N 2.98Å | ||
| 588 | S | 29.2 | Very low | 43.8 | Very low | 132 Ų | 132 | 79.2 Ų | 79.2 | 92% | 0.923 | 45% | 0.451 | S | S | * | . | trans | -61.4 | 96.5 | 173.8 | -174.2 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 589 | G | 35 | Very low | 42.8 | Very low | 26 Ų | 26 | 79.4 Ų | 79.4 | 27% | 0.268 | 45% | 0.452 | S | S | . | . | trans | -138.2 | 137.1 | 170.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | M587 H591 | M587-G589 PolarHBondContact O-N 2.98Å; G589-H591 PolarHBondContact O-N 3.06Å | ||
| 590 | V | 33.8 | Very low | 42.3 | Very low | 145 Ų | 145 | 79.7 Ų | 79.7 | 88% | 0.879 | 45% | 0.454 | S | S | * | . | S | Bend | trans | -63.9 | 0.3 | -164.6 | 176.8 | 0 | 0 | 0 | 0 | 115.5 | ||
| 591 | H | 36.3 | Very low | 42.4 | Very low | 136 Ų | 136 | 78.3 Ų | 78.3 | 63% | 0.63 | 45% | 0.447 | S | S | * | . | trans | -112.3 | 77.2 | 175.4 | -69 | -89.5 | 0 | 0 | 0 | 110.6 | G589 I593 | G589-H591 PolarHBondContact O-N 3.06Å; H591-I593 VanDerWaalsContact C-N 3.32Å; H591-I593 PolarHBondContact O-N 2.72Å | ||
| 592 | R | 38.9 | Very low | 43.5 | Very low | 221 Ų | 221 | 78.4 Ų | 78.4 | 83% | 0.834 | 44% | 0.444 | S | S | * | . | trans | -73.2 | 92 | 163.1 | -84.6 | -161.9 | -82.2 | -147.4 | -3.1 | 108.2 | S594 | R592-S594 VanDerWaalsContact C-N 3.28Å; R592-S594 PolarHBondContact O-N 3.34Å; R592-S594 VanDerWaalsContact O-N 3.09Å | ||
| 593 | I | 46.7 | Very low | 45.5 | Very low | 29 Ų | 29 | 75.4 Ų | 75.4 | 15% | 0.149 | 42% | 0.422 | C | S | . | . | trans | -75.1 | 89.6 | 163.8 | -57 | 176.7 | 0 | 0 | 0 | 105.7 | Y528 L577 H591 A595 | Y528-I593 HydrophobicContact CD1-CG2 4.15Å; Y528-I593 HydrophobicContact CD2-CG2 3.13Å; Y528-I593 HydrophobicContact CE2-CG2 3.62Å; Y528-I593 HydrophobicContact CG-CG2 3.42Å; Y528-I593 VanDerWaalsContact CG-CG2 3.42Å; L577-I593 HydrophobicContact CD1-CB 4.4Å; L577-I593 HydrophobicContact CD1-CG2 4.09Å; H591-I593 VanDerWaalsContact C-N 3.32Å; H591-I593 PolarHBondContact O-N 2.72Å; I593-A595 PolarHBondContact O-N 2.82Å | ||
| 594 | S | 43.5 | Very low | 47.4 | Very low | 85 Ų | 85 | 77 Ų | 77 | 59% | 0.594 | 43% | 0.427 | S | S | * | . | trans | -75.8 | 100.9 | 173.4 | -177.3 | 0 | 0 | 0 | 0 | 107.5 | R592 | R592-S594 VanDerWaalsContact C-N 3.28Å; R592-S594 PolarHBondContact O-N 3.34Å; R592-S594 VanDerWaalsContact O-N 3.09Å | ||
| 595 | A | 48.2 | Very low | 49.6 | Very low | 1 Ų | 1 | 77.2 Ų | 77.2 | 1% | 0.008 | 43% | 0.427 | C | S | . | . | trans | -65.1 | 145.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | M531 I593 V597 | M531-A595 HydrophobicContact CE-CB 3.49Å; M531-A595 VanDerWaalsContact CE-CB 3.49Å; M531-A595 HydrophobicContact SD-CB 4.19Å; I593-A595 PolarHBondContact O-N 2.82Å; A595-V597 PolarHBondContact O-N 3.47Å | ||
| 596 | P | 47.9 | Very low | 51.9 | Low | 48 Ų | 48 | 67.7 Ų | 67.7 | 31% | 0.312 | 38% | 0.382 | S | S | . | . | trans | -61.1 | 123.8 | 175.3 | 17.7 | -23.6 | 0 | 0 | 0 | 110.1 | T598 S599 | P596-T598 PolarHBondContact O-N 3.04Å; P596-S599 PolarHBondContact O-N 3.38Å; P596-S599 PolarHBondContact O-OG 3.07Å | ||
| 597 | V | 45.6 | Very low | 54.5 | Low | 117 Ų | 117 | 63.3 Ų | 63.3 | 71% | 0.709 | 35% | 0.352 | S | S | * | . | G | 310 helix | trans | -51.8 | -25.7 | -172.5 | -178.1 | 0 | 0 | 0 | 0 | 113.2 | A595 S599 L600 | A595-V597 PolarHBondContact O-N 3.47Å; V597-S599 VanDerWaalsContact C-N 3.34Å; V597-S599 PolarHBondContact O-N 3.09Å; V597-L600 HydrophobicContact CG1-CD1 4.39Å; V597-L600 WeakPolarHBondContact O-CG 3.4Å |
| 598 | T | 44.5 | Very low | 57 | Low | 114 Ų | 114 | 62.7 Ų | 62.7 | 70% | 0.699 | 36% | 0.359 | S | S | * | . | G | 310 helix | trans | -74 | -18.9 | -179 | 52.3 | 0 | 0 | 0 | 0 | 114.5 | P596 | P596-T598 PolarHBondContact O-N 3.04Š|
| 599 | S | 50.3 | Low | 59.9 | Low | 6 Ų | 6 | 56.7 Ų | 56.7 | 4% | 0.042 | 32% | 0.316 | C | S | . | . | G | 310 helix | trans | -98 | 4 | -173.6 | 60.7 | 0 | 0 | 0 | 0 | 114.5 | M531 P596 V597 S601 | M531-S599 WeakPolarHBondContact CE-OG 3.44Å; P596-S599 PolarHBondContact O-N 3.38Å; P596-S599 PolarHBondContact O-OG 3.07Å; V597-S599 VanDerWaalsContact C-N 3.34Å; V597-S599 PolarHBondContact O-N 3.09Å; S599-S601 PolarHBondContact O-N 2.96Å |
| 600 | L | 55.1 | Low | 62.6 | Low | 26 Ų | 26 | 57.5 Ų | 57.5 | 14% | 0.136 | 32% | 0.318 | C | S | . | . | P | Polyproline II helix | trans | -63.9 | 116.4 | -178 | -66 | 174.7 | 0 | 0 | 0 | 110.9 | V597 R639 | V597-L600 HydrophobicContact CG1-CD1 4.39Å; V597-L600 WeakPolarHBondContact O-CG 3.4Å; L600-R639 PolarHBondContact O-NH1 3.29Å; L600-R639 PolarHBondContact O-NH2 2.99Å |
| 601 | S | 62.1 | Low | 65.4 | Low | 15 Ų | 15 | 50.6 Ų | 50.6 | 11% | 0.105 | 28% | 0.276 | C | S | . | . | P | Polyproline II helix | trans | -75.8 | 135 | -179.3 | 60.9 | 0 | 0 | 0 | 0 | 111.1 | P578 S599 V606 | P578-S601 WeakPolarHBondContact CB-OG 3.23Å; P578-S601 PolarHBondContact O-N 3.07Å; P578-S601 PolarHBondContact O-OG 3.43Å; S599-S601 PolarHBondContact O-N 2.96Å; S601-V606 WeakPolarHBondContact OG-CG2 3.29Å |
| 602 | D | 72.9 | Confident | 68.1 | Low | 19 Ų | 19 | 44.2 Ų | 44.2 | 10% | 0.102 | 25% | 0.246 | C | C | . | . | P | Polyproline II helix | trans | -61.2 | 149.1 | 177.8 | -67.4 | -39.7 | 0 | 0 | 0 | 111.1 | R604 T605 V606 R639 | D602-R604 PolarHBondContact O-N 3.47Å; D602-R604 VanDerWaalsContact O-N 3.08Å; D602-T605 WeakPolarHBondContact O-CA 3.25Å; D602-T605 WeakPolarHBondContact O-CB 3.44Å; D602-T605 PolarHBondContact O-N 3.38Å; D602-V606 PolarHBondContact O-N 3.14Å; D602-V606 VanDerWaalsContact O-N 3.1Å; D602-R639 IonicContact OD1-CZ 3.43Å; D602-R639 IonicContact OD1-NE 3.51Å; D602-R639 PolarHBondContact OD1-NE 2.87Å; D602-R639 IonicContact OD1-NH2 2.98Å; D602-R639 PolarHBondContact OD1-NH2 3.04Å |
| 603 | L | 82.4 | Confident | 70.6 | Confident | 10 Ų | 10 | 37 Ų | 37 | 5% | 0.052 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -48 | -42.6 | 178.2 | 176 | 66.6 | 0 | 0 | 0 | 111.6 | T605 V606 L607 L632 A636 M712 | L603-T605 VanDerWaalsContact C-N 3.35Å; L603-T605 PolarHBondContact O-N 3.34Å; L603-V606 PolarHBondContact O-N 3.31Å; L603-L607 HydrophobicContact CD1-CD1 4.01Å; L603-L607 HydrophobicContact CD1-CD2 4.45Å; L603-L607 HydrophobicContact CD1-CG 3.95Å; L603-L607 HydrophobicContact CD2-CD1 4.25Å; L603-L607 HydrophobicContact CG-CD1 3.79Å; L603-L607 HydrophobicContact CG-CG 4.15Å; L603-L607 WeakPolarHBondContact O-CB 3.38Å; L603-L607 VanDerWaalsContact O-CG 3.3Å; L603-L607 WeakPolarHBondContact O-CG 3.26Å; L603-L607 PolarHBondContact O-N 3.42Å; L603-L632 HydrophobicContact CD1-CD2 3.9Å; L603-A636 HydrophobicContact CB-CB 3.95Å; L603-A636 HydrophobicContact CD2-CB 3.59Å; L603-A636 HydrophobicContact CG-CB 4.23Å; L603-M712 HydrophobicContact CD2-SD 3.93Å |
| 604 | R | 82.8 | Confident | 72.9 | Confident | 91 Ų | 91 | 39.4 Ų | 39.4 | 34% | 0.343 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -54.4 | -48 | 175.2 | -176 | -175.2 | 179.6 | -163.5 | -4 | 112.7 | D602 V606 G608 R671 L672 T673 D677 | D602-R604 PolarHBondContact O-N 3.47Å; D602-R604 VanDerWaalsContact O-N 3.08Å; R604-V606 VanDerWaalsContact C-N 3.33Å; R604-V606 PolarHBondContact O-N 3.01Å; R604-G608 PolarHBondContact O-N 2.97Å; R604-R671 WeakPolarHBondContact CD-O 3.41Å; R604-L672 HydrophobicContact CB-CD2 4.2Å; R604-T673 PolarHBondContact NH1-OG1 2.98Å; R604-T673 PolarHBondContact NH2-OG1 2.93Å; R604-D677 IonicContact CZ-OD2 3.84Å; R604-D677 IonicContact NE-OD1 3.97Å; R604-D677 IonicContact NE-OD2 3Å; R604-D677 PolarHBondContact NE-OD2 3.14Å; R604-D677 IonicContact NH2-OD2 3.7Å |
| 605 | T | 83.1 | Confident | 75.2 | Confident | 53 Ų | 53 | 35.4 Ų | 35.4 | 33% | 0.325 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -63.1 | -43.2 | 179.9 | -54.2 | 0 | 0 | 0 | 0 | 110.3 | D602 L603 G608 M609 | D602-T605 WeakPolarHBondContact O-CA 3.25Å; D602-T605 WeakPolarHBondContact O-CB 3.44Å; D602-T605 PolarHBondContact O-N 3.38Å; L603-T605 VanDerWaalsContact C-N 3.35Å; L603-T605 PolarHBondContact O-N 3.34Å; T605-G608 PolarHBondContact O-N 3.5Å; T605-M609 WeakPolarHBondContact O-CG 3.46Å; T605-M609 PolarHBondContact O-N 3.16Å |
| 606 | V | 86.2 | Confident | 77.3 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -67 | -45 | 179.4 | -178.7 | 0 | 0 | 0 | 0 | 112.5 | P578 L579 S601 D602 L603 R604 G608 M609 F612 | P578-V606 HydrophobicContact CB-CG2 4.21Å; L579-V606 HydrophobicContact CD1-CG1 4.33Å; L579-V606 HydrophobicContact CD2-CB 3.83Å; L579-V606 HydrophobicContact CD2-CG1 3.9Å; L579-V606 HydrophobicContact CD2-CG2 3.46Å; L579-V606 VanDerWaalsContact CD2-CG2 3.46Å; L579-V606 HydrophobicContact CG-CG1 4.18Å; L579-V606 HydrophobicContact CG-CG2 4.02Å; S601-V606 WeakPolarHBondContact OG-CG2 3.29Å; D602-V606 PolarHBondContact O-N 3.14Å; D602-V606 VanDerWaalsContact O-N 3.1Å; L603-V606 PolarHBondContact O-N 3.31Å; R604-V606 VanDerWaalsContact C-N 3.33Å; R604-V606 PolarHBondContact O-N 3.01Å; V606-G608 PolarHBondContact O-N 2.95Å; V606-M609 HydrophobicContact CB-CE 4.05Å; V606-M609 HydrophobicContact CG1-CE 3.87Å; V606-M609 HydrophobicContact CG2-CE 3.97Å; V606-M609 WeakPolarHBondContact O-CB 3.4Å; V606-M609 PolarHBondContact O-N 3.24Å; V606-M609 VanDerWaalsContact O-N 3.14Å; V606-F612 HydrophobicContact CG1-CD1 4.01Å; V606-F612 HydrophobicContact CG1-CD2 3.45Å; V606-F612 VanDerWaalsContact CG1-CD2 3.45Å; V606-F612 HydrophobicContact CG1-CE1 4.06Å; V606-F612 HydrophobicContact CG1-CE2 3.51Å; V606-F612 HydrophobicContact CG1-CG 3.73Å; V606-F612 HydrophobicContact CG1-CZ 3.84Å |
| 607 | L | 87.1 | Confident | 79.4 | Confident | 2 Ų | 2 | 37.1 Ų | 37.1 | 1% | 0.01 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.3 | -31.4 | 174.8 | -70.3 | 177.8 | 0 | 0 | 0 | 112.1 | L603 M609 F612 R613 L672 N680 L681 L684 | L603-L607 HydrophobicContact CD1-CD1 4.01Å; L603-L607 HydrophobicContact CD1-CD2 4.45Å; L603-L607 HydrophobicContact CD1-CG 3.95Å; L603-L607 HydrophobicContact CD2-CD1 4.25Å; L603-L607 HydrophobicContact CG-CD1 3.79Å; L603-L607 HydrophobicContact CG-CG 4.15Å; L603-L607 WeakPolarHBondContact O-CB 3.38Å; L603-L607 VanDerWaalsContact O-CG 3.3Å; L603-L607 WeakPolarHBondContact O-CG 3.26Å; L603-L607 PolarHBondContact O-N 3.42Å; L607-M609 VanDerWaalsContact C-N 3.34Å; L607-F612 HydrophobicContact CD2-CE1 4.49Å; L607-R613 PolarHBondContact O-NH1 3.11Å; L607-L672 HydrophobicContact CD1-CD2 4.15Å; L607-N680 HydrophobicContact CB-CB 3.97Å; L607-N680 PolarHBondContact O-ND2 3.36Å; L607-L681 HydrophobicContact CD1-CB 4.06Å; L607-L681 HydrophobicContact CD1-CD1 4.29Å; L607-L684 HydrophobicContact CD2-CB 4.28Å; L607-L684 HydrophobicContact CD2-CD2 3.82Å |
| 608 | G | 86.4 | Confident | 81.6 | Confident | 40 Ų | 40 | 31.9 Ų | 31.9 | 41% | 0.412 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -69.6 | -25.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | R604 T605 V606 S610 R613 | R604-G608 PolarHBondContact O-N 2.97Å; T605-G608 PolarHBondContact O-N 3.5Å; V606-G608 PolarHBondContact O-N 2.95Å; G608-S610 PolarHBondContact O-N 3.19Å; G608-R613 PolarHBondContact O-NH1 3.17Å |
| 609 | M | 89.8 | Confident | 83.8 | Confident | 7 Ų | 7 | 26.6 Ų | 26.6 | 3% | 0.034 | 15% | 0.146 | C | C | . | . | trans | -66.3 | 124.9 | -179.2 | -71.2 | -165.7 | -69 | 0 | 0 | 111.9 | I542 D543 L546 P578 T605 V606 L607 F612 R613 | I542-M609 HydrophobicContact CB-SD 4.08Å; I542-M609 HydrophobicContact CG2-CE 3.94Å; I542-M609 HydrophobicContact CG2-SD 3.72Å; D543-M609 HydrophobicContact CB-CB 4.19Å; D543-M609 HydrophobicContact CB-CG 3.94Å; D543-M609 HydrophobicContact CB-SD 3.96Å; D543-M609 WeakPolarHBondContact OD1-CB 3.46Å; L546-M609 HydrophobicContact CD1-CE 3.8Å; L546-M609 HydrophobicContact CD1-SD 4.02Å; P578-M609 HydrophobicContact CB-CE 4.28Å; P578-M609 HydrophobicContact CG-CE 4.33Å; T605-M609 WeakPolarHBondContact O-CG 3.46Å; T605-M609 PolarHBondContact O-N 3.16Å; V606-M609 HydrophobicContact CB-CE 4.05Å; V606-M609 HydrophobicContact CG1-CE 3.87Å; V606-M609 HydrophobicContact CG2-CE 3.97Å; V606-M609 WeakPolarHBondContact O-CB 3.4Å; V606-M609 PolarHBondContact O-N 3.24Å; V606-M609 VanDerWaalsContact O-N 3.14Å; L607-M609 VanDerWaalsContact C-N 3.34Å; M609-F612 HydrophobicContact CB-CB 3.77Å; M609-F612 HydrophobicContact CE-CB 4.42Å; M609-F612 PolarHBondContact O-N 3.2Å; M609-R613 PolarHBondContact O-N 3.11Å; M609-R613 PolarHBondContact O-NH1 2.94Å | ||
| 610 | S | 91.9 | Very high | 85.6 | Confident | 42 Ų | 42 | 27.6 Ų | 27.6 | 29% | 0.294 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -67.7 | -42.9 | -177.6 | 58 | 0 | 0 | 0 | 0 | 112.3 | D543 N547 G608 F612 R613 R614 | D543-S610 PolarHBondContact OD1-N 3.44Å; D543-S610 VanDerWaalsContact OD1-N 3.07Å; D543-S610 PolarHBondContact OD2-N 2.97Å; D543-S610 VanDerWaalsContact OD2-N 3.09Å; D543-S610 PolarHBondContact OD2-OG 2.91Å; N547-S610 PolarHBondContact ND2-OG 3.43Å; G608-S610 PolarHBondContact O-N 3.19Å; S610-F612 VanDerWaalsContact C-N 3.32Å; S610-F612 PolarHBondContact O-N 3.1Å; S610-R613 PolarHBondContact O-N 3.32Å; S610-R614 VanDerWaalsContact O-CG 3.31Å; S610-R614 WeakPolarHBondContact O-CG 3.4Å; S610-R614 PolarHBondContact O-N 3.46Å |
| 611 | G | 92.4 | Very high | 87.1 | Confident | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -64.2 | -37 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112 | D543 N547 R614 L615 | D543-G611 WeakPolarHBondContact OD1-CA 2.93Å; D543-G611 PolarHBondContact OD1-N 3.39Å; N547-G611 PolarHBondContact ND2-N 3.44Å; N547-G611 WeakPolarHBondContact OD1-CA 3.49Å; G611-R614 PolarHBondContact O-N 3.37Å; G611-L615 WeakPolarHBondContact O-CB 3.19Å; G611-L615 WeakPolarHBondContact O-CG 3.48Å; G611-L615 PolarHBondContact O-N 3.14Å |
| 612 | F | 92.4 | Very high | 88 | Confident | 3 Ų | 3 | 37 Ų | 37 | 1% | 0.013 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -57.7 | -52.8 | 174.2 | -178.7 | -94.6 | 0 | 0 | 0 | 111 | L546 L575 L579 V606 L607 M609 S610 R614 L615 V616 L628 L632 | L546-F612 HydrophobicContact CD1-CB 3.88Å; L575-F612 HydrophobicContact CB-CE2 4.26Å; L575-F612 HydrophobicContact CD2-CD2 3.59Å; L575-F612 HydrophobicContact CD2-CE2 3.82Å; L575-F612 HydrophobicContact CD2-CG 4.48Å; L579-F612 HydrophobicContact CD1-CE2 4.46Å; V606-F612 HydrophobicContact CG1-CD1 4.01Å; V606-F612 HydrophobicContact CG1-CD2 3.45Å; V606-F612 VanDerWaalsContact CG1-CD2 3.45Å; V606-F612 HydrophobicContact CG1-CE1 4.06Å; V606-F612 HydrophobicContact CG1-CE2 3.51Å; V606-F612 HydrophobicContact CG1-CG 3.73Å; V606-F612 HydrophobicContact CG1-CZ 3.84Å; L607-F612 HydrophobicContact CD2-CE1 4.49Å; M609-F612 HydrophobicContact CB-CB 3.77Å; M609-F612 HydrophobicContact CE-CB 4.42Å; M609-F612 PolarHBondContact O-N 3.2Å; S610-F612 VanDerWaalsContact C-N 3.32Å; S610-F612 PolarHBondContact O-N 3.1Å; F612-R614 PolarHBondContact O-N 2.96Å; F612-L615 PolarHBondContact O-N 3.34Å; F612-V616 HydrophobicContact CD1-CG2 4.03Å; F612-V616 HydrophobicContact CE1-CG2 3.62Å; F612-V616 HydrophobicContact CE2-CG2 4.27Å; F612-V616 HydrophobicContact CZ-CG2 3.73Å; F612-V616 VanDerWaalsContact O-CG2 3.31Å; F612-V616 WeakPolarHBondContact O-CG2 3.4Å; F612-V616 PolarHBondContact O-N 3.08Å; F612-L628 HydrophobicContact CZ-CD2 4.4Å; F612-L632 HydrophobicContact CZ-CD1 3.75Å |
| 613 | R | 92.3 | Very high | 88.6 | Confident | 69 Ų | 69 | 39.5 Ų | 39.5 | 26% | 0.26 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -61.9 | -42.4 | 179.4 | -64 | -168.3 | -57.3 | -79.1 | -2.3 | 112.5 | L607 G608 M609 S610 L615 V616 S617 N680 | L607-R613 PolarHBondContact O-NH1 3.11Å; G608-R613 PolarHBondContact O-NH1 3.17Å; M609-R613 PolarHBondContact O-N 3.11Å; M609-R613 PolarHBondContact O-NH1 2.94Å; S610-R613 PolarHBondContact O-N 3.32Å; R613-L615 VanDerWaalsContact C-N 3.32Å; R613-L615 PolarHBondContact O-N 3.45Å; R613-V616 PolarHBondContact O-N 3.4Å; R613-S617 PolarHBondContact O-N 2.8Å; R613-N680 WeakPolarHBondContact CD-OD1 3.36Å |
| 614 | R | 93.3 | Very high | 88.8 | Confident | 80 Ų | 80 | 39.3 Ų | 39.3 | 30% | 0.302 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -58 | -44 | 176.1 | -70.3 | 175.1 | 72.8 | -161.7 | 0.4 | 111.7 | N547 A550 D551 N554 S610 G611 F612 S617 | N547-R614 WeakPolarHBondContact OD1-CD 3.22Å; N547-R614 PolarHBondContact OD1-NH1 2.98Å; A550-R614 HydrophobicContact CB-CB 3.96Å; D551-R614 IonicContact OD1-CZ 3.23Å; D551-R614 IonicContact OD1-NH1 3.41Å; D551-R614 PolarHBondContact OD1-NH1 3.08Å; D551-R614 IonicContact OD1-NH2 2.8Å; D551-R614 PolarHBondContact OD1-NH2 3.43Å; D551-R614 IonicContact OD2-NH1 3.9Å; N554-R614 PolarHBondContact ND2-NH2 3.38Å; S610-R614 VanDerWaalsContact O-CG 3.31Å; S610-R614 WeakPolarHBondContact O-CG 3.4Å; S610-R614 PolarHBondContact O-N 3.46Å; G611-R614 PolarHBondContact O-N 3.37Å; F612-R614 PolarHBondContact O-N 2.96Å; R614-S617 PolarHBondContact O-N 2.96Å; R614-S617 PolarHBondContact O-OG 3.24Å |
| 615 | L | 93.6 | Very high | 89.2 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -70.8 | -39 | 178.1 | -70 | 174.4 | 0 | 0 | 0 | 112.9 | L546 T549 A550 L553 L571 L574 L575 G611 F612 R613 S617 L618 | L546-L615 HydrophobicContact CB-CD1 3.94Å; L546-L615 HydrophobicContact CD2-CD1 3.71Å; L546-L615 HydrophobicContact CG-CD1 4.39Å; T549-L615 HydrophobicContact CG2-CD1 4.37Å; T549-L615 HydrophobicContact CG2-CD2 3.97Å; A550-L615 HydrophobicContact CB-CD2 3.74Å; A550-L615 HydrophobicContact CB-CG 4.1Å; L553-L615 HydrophobicContact CD1-CD2 4.16Å; L571-L615 HydrophobicContact CD1-CB 4.25Å; L571-L615 HydrophobicContact CD1-CD1 3.97Å; L571-L615 HydrophobicContact CD1-CD2 3.89Å; L571-L615 HydrophobicContact CD1-CG 4.25Å; L574-L615 HydrophobicContact CD2-CD1 4.35Å; L575-L615 HydrophobicContact CD2-CB 3.96Å; L575-L615 HydrophobicContact CD2-CD1 4Å; G611-L615 WeakPolarHBondContact O-CB 3.19Å; G611-L615 WeakPolarHBondContact O-CG 3.48Å; G611-L615 PolarHBondContact O-N 3.14Å; F612-L615 PolarHBondContact O-N 3.34Å; R613-L615 VanDerWaalsContact C-N 3.32Å; R613-L615 PolarHBondContact O-N 3.45Å; L615-S617 PolarHBondContact O-N 3.39Å; L615-L618 HydrophobicContact CD2-CD1 4.23Å; L615-L618 WeakPolarHBondContact O-CB 3.4Å; L615-L618 PolarHBondContact O-N 3.49Å; L615-L618 VanDerWaalsContact O-N 3.09Å |
| 616 | V | 92.2 | Very high | 89.4 | Confident | 9 Ų | 9 | 34.9 Ų | 34.9 | 6% | 0.055 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -60 | -34.3 | 174.7 | 171.2 | 0 | 0 | 0 | 0 | 111.3 | L575 F612 R613 L618 L619 K625 L628 L684 | L575-V616 HydrophobicContact CD1-CG2 4.43Å; F612-V616 HydrophobicContact CD1-CG2 4.03Å; F612-V616 HydrophobicContact CE1-CG2 3.62Å; F612-V616 HydrophobicContact CE2-CG2 4.27Å; F612-V616 HydrophobicContact CZ-CG2 3.73Å; F612-V616 VanDerWaalsContact O-CG2 3.31Å; F612-V616 WeakPolarHBondContact O-CG2 3.4Å; F612-V616 PolarHBondContact O-N 3.08Å; R613-V616 PolarHBondContact O-N 3.4Å; V616-L618 PolarHBondContact O-N 3.3Å; V616-L619 WeakPolarHBondContact O-CB 3.42Å; V616-L619 PolarHBondContact O-N 3.42Å; V616-L619 VanDerWaalsContact O-N 3.16Å; V616-K625 HydrophobicContact CG1-CD 4.2Å; V616-K625 HydrophobicContact CG1-CG 4.04Å; V616-L628 HydrophobicContact CG2-CD2 3.75Å; V616-L684 HydrophobicContact CG1-CD1 4.08Å |
| 617 | S | 91 | Very high | 89.5 | Confident | 77 Ų | 77 | 39.7 Ų | 39.7 | 54% | 0.538 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -21 | 176.9 | 79.4 | 0 | 0 | 0 | 0 | 114.3 | R613 R614 L615 | R613-S617 PolarHBondContact O-N 2.8Å; R614-S617 PolarHBondContact O-N 2.96Å; R614-S617 PolarHBondContact O-OG 3.24Å; L615-S617 PolarHBondContact O-N 3.39Å |
| 618 | L | 91.1 | Very high | 89.5 | Confident | 6 Ų | 6 | 39.6 Ų | 39.6 | 3% | 0.031 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | -13.2 | 176.7 | -59 | 176.8 | 0 | 0 | 0 | 113 | L553 I561 L615 V616 | L553-L618 HydrophobicContact CB-CD1 4.17Å; L553-L618 HydrophobicContact CD1-CD1 4.12Å; I561-L618 HydrophobicContact CD1-CB 3.93Å; I561-L618 HydrophobicContact CG1-CB 4.3Å; I561-L618 PolarHBondContact N-O 2.89Å; L615-L618 HydrophobicContact CD2-CD1 4.23Å; L615-L618 WeakPolarHBondContact O-CB 3.4Å; L615-L618 PolarHBondContact O-N 3.49Å; L615-L618 VanDerWaalsContact O-N 3.09Å; V616-L618 PolarHBondContact O-N 3.3Å |
| 619 | L | 91.7 | Very high | 89.7 | Confident | 3 Ų | 3 | 37.7 Ų | 37.7 | 2% | 0.016 | 19% | 0.19 | C | C | . | . | B | Isolated β-bridge | trans | -77.6 | 148 | -178.6 | -64.1 | 179.4 | 0 | 0 | 0 | 111.1 | L571 L572 L575 V616 P621 K625 L628 | L571-L619 HydrophobicContact CD2-CD2 3.74Å; L571-L619 HydrophobicContact CG-CD2 4.47Å; L572-L619 HydrophobicContact CD2-CD1 4.21Å; L575-L619 HydrophobicContact CD1-CD1 3.98Å; V616-L619 WeakPolarHBondContact O-CB 3.42Å; V616-L619 PolarHBondContact O-N 3.42Å; V616-L619 VanDerWaalsContact O-N 3.16Å; L619-P621 WeakPolarHBondContact O-CD 3.4Å; L619-P621 VanDerWaalsContact O-N 3.14Å; L619-K625 HydrophobicContact CB-CB 4.23Å; L619-L628 HydrophobicContact CD1-CD2 3.64Å |
| 620 | D | 88.5 | Confident | 89.7 | Confident | 27 Ų | 27 | 40.7 Ų | 40.7 | 14% | 0.144 | 20% | 0.201 | C | C | . | . | trans | -57.3 | 119.7 | 171.7 | 178.8 | 75.2 | 0 | 0 | 0 | 110.1 | K622 T623 T624 K625 | D620-K622 VanDerWaalsContact C-N 3.28Å; D620-K622 PolarHBondContact O-N 3.37Å; D620-K622 PolarHBondContact OD2-N 2.86Å; D620-T623 WeakPolarHBondContact OD2-CB 3.35Å; D620-T623 PolarHBondContact OD2-N 2.93Å; D620-T623 PolarHBondContact OD2-OG1 3.07Å; D620-T624 PolarHBondContact N-OG1 2.96Å; D620-T624 PolarHBondContact O-N 3.1Å; D620-T624 PolarHBondContact O-OG1 3.44Å; D620-K625 WeakPolarHBondContact O-CB 3.49Å; D620-K625 PolarHBondContact O-N 3.24Å | ||
| 621 | P | 85.3 | Confident | 89.4 | Confident | 64 Ų | 64 | 40.6 Ų | 40.6 | 42% | 0.416 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70 | -25.6 | -170.3 | 26.2 | -34.7 | 0 | 0 | 0 | 112.6 | L619 C626 | L619-P621 WeakPolarHBondContact O-CD 3.4Å; L619-P621 VanDerWaalsContact O-N 3.14Å; P621-C626 PolarHBondContact O-SG 3.5Å |
| 622 | K | 81.2 | Confident | 89.1 | Confident | 176 Ų | 176 | 40.7 Ų | 40.7 | 77% | 0.765 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.3 | -28.4 | -175.1 | -64.9 | -173.8 | 177 | -172.7 | 0 | 112.8 | D620 | D620-K622 VanDerWaalsContact C-N 3.28Å; D620-K622 PolarHBondContact O-N 3.37Å; D620-K622 PolarHBondContact OD2-N 2.86Å |
| 623 | T | 85.4 | Confident | 88.9 | Confident | 70 Ų | 70 | 40.6 Ų | 40.6 | 43% | 0.429 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -120.5 | -74.9 | -172.7 | 59.4 | 0 | 0 | 0 | 0 | 111.8 | P563 D620 K625 C626 R627 | P563-T623 WeakPolarHBondContact CB-OG1 3.34Å; D620-T623 WeakPolarHBondContact OD2-CB 3.35Å; D620-T623 PolarHBondContact OD2-N 2.93Å; D620-T623 PolarHBondContact OD2-OG1 3.07Å; T623-K625 PolarHBondContact O-N 2.93Å; T623-C626 PolarHBondContact O-N 3.36Å; T623-R627 PolarHBondContact O-N 2.92Å |
| 624 | T | 86.9 | Confident | 88.6 | Confident | 6 Ų | 6 | 40.1 Ų | 40.1 | 4% | 0.037 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -66.3 | -38.3 | -171 | 49.9 | 0 | 0 | 0 | 0 | 113.7 | P563 D620 L628 | P563-T624 HydrophobicContact CB-CG2 3.93Å; D620-T624 PolarHBondContact N-OG1 2.96Å; D620-T624 PolarHBondContact O-N 3.1Å; D620-T624 PolarHBondContact O-OG1 3.44Å; T624-L628 WeakPolarHBondContact O-CB 3.25Å; T624-L628 PolarHBondContact O-N 3.19Å |
| 625 | K | 90.6 | Very high | 88.1 | Confident | 29 Ų | 29 | 37.5 Ų | 37.5 | 13% | 0.126 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -66.4 | -45.6 | 175.2 | -176.2 | 179.9 | 174.6 | -176.1 | 0 | 111.3 | V616 L619 D620 T623 R627 L628 A629 E683 L684 | V616-K625 HydrophobicContact CG1-CD 4.2Å; V616-K625 HydrophobicContact CG1-CG 4.04Å; L619-K625 HydrophobicContact CB-CB 4.23Å; D620-K625 WeakPolarHBondContact O-CB 3.49Å; D620-K625 PolarHBondContact O-N 3.24Å; T623-K625 PolarHBondContact O-N 2.93Å; K625-R627 VanDerWaalsContact C-N 3.35Å; K625-R627 PolarHBondContact O-N 3.45Å; K625-L628 PolarHBondContact O-N 2.96Å; K625-A629 WeakPolarHBondContact O-CB 3.3Å; K625-A629 PolarHBondContact O-N 2.76Å; K625-E683 VanDerWaalsContact CE-O 3.22Å; K625-E683 WeakPolarHBondContact CE-O 3.33Å; K625-E683 PolarHBondContact NZ-O 2.88Å; K625-L684 WeakPolarHBondContact CE-O 3.41Å |
| 626 | C | 88.5 | Confident | 87.6 | Confident | 22 Ų | 22 | 37.9 Ų | 37.9 | 15% | 0.149 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -58.9 | -45.1 | 176.5 | -70.8 | 0 | 0 | 0 | 0 | 111.8 | P621 T623 A629 Y630 L688 | P621-C626 PolarHBondContact O-SG 3.5Å; T623-C626 PolarHBondContact O-N 3.36Å; C626-A629 PolarHBondContact O-N 3.25Å; C626-Y630 WeakPolarHBondContact O-CB 3.44Å; C626-Y630 PolarHBondContact O-N 3.26Å; C626-L688 HydrophobicContact CB-CD2 3.83Å |
| 627 | R | 86.9 | Confident | 87.2 | Confident | 101 Ų | 101 | 39.4 Ų | 39.4 | 38% | 0.381 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -61.8 | -47.1 | 176.4 | -174.2 | 176.8 | 69.2 | 174.6 | -0.7 | 112 | T623 K625 A629 Y630 D631 | T623-R627 PolarHBondContact O-N 2.92Å; K625-R627 VanDerWaalsContact C-N 3.35Å; K625-R627 PolarHBondContact O-N 3.45Å; R627-A629 VanDerWaalsContact C-N 3.3Å; R627-A629 PolarHBondContact O-N 2.86Å; R627-Y630 PolarHBondContact O-N 3.48Å; R627-D631 VanDerWaalsContact O-CG 3.3Å; R627-D631 PolarHBondContact O-N 3.12Å |
| 628 | L | 89 | Confident | 86.8 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -58.1 | -45.3 | 176.3 | 175.6 | 63.5 | 0 | 0 | 0 | 111.1 | L572 L575 Y576 F612 V616 L619 T624 K625 L632 | L572-L628 HydrophobicContact CD2-CB 4.13Å; L572-L628 HydrophobicContact CD2-CD1 4.2Å; L572-L628 HydrophobicContact CD2-CD2 4.35Å; L572-L628 HydrophobicContact CD2-CG 4.46Å; L575-L628 HydrophobicContact CD1-CD2 3.88Å; Y576-L628 HydrophobicContact CD1-CD1 4.09Å; Y576-L628 HydrophobicContact CE1-CD1 3.57Å; Y576-L628 HydrophobicContact CE2-CD1 4.42Å; F612-L628 HydrophobicContact CZ-CD2 4.4Å; V616-L628 HydrophobicContact CG2-CD2 3.75Å; L619-L628 HydrophobicContact CD1-CD2 3.64Å; T624-L628 WeakPolarHBondContact O-CB 3.25Å; T624-L628 PolarHBondContact O-N 3.19Å; K625-L628 PolarHBondContact O-N 2.96Å; L628-L632 HydrophobicContact CD1-CD1 3.87Å; L628-L632 HydrophobicContact CD1-CG 4.28Å; L628-L632 HydrophobicContact CG-CD1 3.76Å; L628-L632 WeakPolarHBondContact O-CB 3.29Å; L628-L632 WeakPolarHBondContact O-CD1 3.31Å; L628-L632 VanDerWaalsContact O-CG 3.25Å; L628-L632 WeakPolarHBondContact O-CG 3Å; L628-L632 PolarHBondContact O-N 2.82Å |
| 629 | A | 89.9 | Confident | 86.1 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -60.5 | -48.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | K625 C626 R627 D631 L632 L633 L684 I685 L688 | K625-A629 WeakPolarHBondContact O-CB 3.3Å; K625-A629 PolarHBondContact O-N 2.76Å; C626-A629 PolarHBondContact O-N 3.25Å; R627-A629 VanDerWaalsContact C-N 3.3Å; R627-A629 PolarHBondContact O-N 2.86Å; A629-D631 PolarHBondContact O-N 3.22Å; A629-L632 WeakPolarHBondContact O-CB 3.19Å; A629-L632 PolarHBondContact O-N 2.92Å; A629-L633 VanDerWaalsContact O-CG 3.3Å; A629-L633 WeakPolarHBondContact O-CG 3.45Å; A629-L633 PolarHBondContact O-N 2.88Å; A629-L684 HydrophobicContact CB-CD1 4.03Å; A629-L684 HydrophobicContact CB-CD2 4.45Å; A629-L684 HydrophobicContact CB-CG 3.82Å; A629-I685 HydrophobicContact CB-CG2 4.36Å; A629-L688 HydrophobicContact CB-CD1 3.79Å; A629-L688 HydrophobicContact CB-CG 4.31Å |
| 630 | Y | 89.1 | Confident | 85.4 | Confident | 70 Ų | 70 | 42.6 Ų | 42.6 | 28% | 0.275 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -57.1 | -51.2 | 178.1 | -179.4 | -87.5 | 0 | 0 | 0 | 112 | C626 R627 L632 L633 N634 D704 A705 L708 | C626-Y630 WeakPolarHBondContact O-CB 3.44Å; C626-Y630 PolarHBondContact O-N 3.26Å; R627-Y630 PolarHBondContact O-N 3.48Å; Y630-L632 VanDerWaalsContact C-N 3.28Å; Y630-L632 PolarHBondContact O-N 3.47Å; Y630-L633 PolarHBondContact O-N 3.5Å; Y630-N634 WeakPolarHBondContact CE1-ND2 3.4Å; Y630-N634 PolarHBondContact O-N 3.28Å; Y630-D704 HydrophobicContact CE2-CB 4.31Å; Y630-A705 HydrophobicContact CD2-CB 4.27Å; Y630-L708 HydrophobicContact CD1-CD1 4.47Å; Y630-L708 HydrophobicContact CD2-CD1 3.58Å; Y630-L708 HydrophobicContact CE1-CD1 4.37Å; Y630-L708 HydrophobicContact CE2-CD1 3.47Å; Y630-L708 VanDerWaalsContact CE2-CD1 3.47Å; Y630-L708 HydrophobicContact CE2-CG 4.5Å; Y630-L708 HydrophobicContact CG-CD1 4.09Å |
| 631 | D | 85.5 | Confident | 85 | Confident | 40 Ų | 40 | 46.8 Ų | 46.8 | 21% | 0.214 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -62 | -38.4 | 179.1 | -66.9 | -24.9 | 0 | 0 | 0 | 111.5 | Y576 R627 A629 N634 A635 | Y576-D631 HydrophobicContact CE1-CB 3.78Å; Y576-D631 PolarHBondContact OH-OD2 3.27Å; R627-D631 VanDerWaalsContact O-CG 3.3Å; R627-D631 PolarHBondContact O-N 3.12Å; A629-D631 PolarHBondContact O-N 3.22Å; D631-N634 PolarHBondContact O-N 3.11Å; D631-A635 WeakPolarHBondContact O-CB 3.39Å; D631-A635 PolarHBondContact O-N 3.23Å |
| 632 | L | 86 | Confident | 84.4 | Confident | 3 Ų | 3 | 50 Ų | 50 | 2% | 0.016 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62.5 | -46.1 | 176.3 | -90.8 | 167.1 | 0 | 0 | 0 | 113.3 | L579 L603 F612 L628 A629 Y630 N634 A635 A636 L684 | L579-L632 HydrophobicContact CB-CD2 4.5Å; L579-L632 HydrophobicContact CD1-CD1 4.38Å; L579-L632 HydrophobicContact CD1-CD2 3.15Å; L579-L632 HydrophobicContact CD1-CG 3.95Å; L579-L632 HydrophobicContact CD2-CD2 3.25Å; L579-L632 HydrophobicContact CG-CD2 3.72Å; L603-L632 HydrophobicContact CD1-CD2 3.9Å; F612-L632 HydrophobicContact CZ-CD1 3.75Å; L628-L632 HydrophobicContact CD1-CD1 3.87Å; L628-L632 HydrophobicContact CD1-CG 4.28Å; L628-L632 HydrophobicContact CG-CD1 3.76Å; L628-L632 WeakPolarHBondContact O-CB 3.29Å; L628-L632 WeakPolarHBondContact O-CD1 3.31Å; L628-L632 VanDerWaalsContact O-CG 3.25Å; L628-L632 WeakPolarHBondContact O-CG 3Å; L628-L632 PolarHBondContact O-N 2.82Å; A629-L632 WeakPolarHBondContact O-CB 3.19Å; A629-L632 PolarHBondContact O-N 2.92Å; Y630-L632 VanDerWaalsContact C-N 3.28Å; Y630-L632 PolarHBondContact O-N 3.47Å; L632-N634 VanDerWaalsContact C-N 3.34Å; L632-A635 PolarHBondContact O-N 2.98Å; L632-A636 VanDerWaalsContact O-CB 3.3Å; L632-A636 WeakPolarHBondContact O-CB 3.33Å; L632-A636 PolarHBondContact O-N 2.86Å; L632-L684 HydrophobicContact CB-CD2 4.25Å; L632-L684 HydrophobicContact CD1-CD1 4.07Å; L632-L684 HydrophobicContact CD1-CD2 3.54Å; L632-L684 HydrophobicContact CD1-CG 4.43Å; L632-L684 HydrophobicContact CG-CD2 4.48Å |
| 633 | L | 88.6 | Confident | 83.9 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -65.2 | -41.8 | 178.5 | -59.9 | -164.4 | 0 | 0 | 0 | 110.8 | A629 Y630 A636 L637 L681 I685 L688 L708 I709 M712 | A629-L633 VanDerWaalsContact O-CG 3.3Å; A629-L633 WeakPolarHBondContact O-CG 3.45Å; A629-L633 PolarHBondContact O-N 2.88Å; Y630-L633 PolarHBondContact O-N 3.5Å; L633-A636 PolarHBondContact O-N 3.15Å; L633-L637 WeakPolarHBondContact O-CG 3.4Å; L633-L637 PolarHBondContact O-N 3.1Å; L633-L681 HydrophobicContact CD2-CD1 3.74Å; L633-I685 HydrophobicContact CD1-CG2 3.97Å; L633-I685 HydrophobicContact CD2-CG2 3.98Å; L633-I685 HydrophobicContact CG-CG2 4.26Å; L633-L688 HydrophobicContact CD1-CD1 4.49Å; L633-L708 HydrophobicContact CB-CB 4.01Å; L633-L708 HydrophobicContact CB-CD1 4.31Å; L633-L708 HydrophobicContact CD1-CB 4.05Å; L633-I709 HydrophobicContact CD1-CG1 3.93Å; L633-M712 HydrophobicContact CB-CE 4.45Å; L633-M712 HydrophobicContact CB-CG 4.35Å; L633-M712 HydrophobicContact CD1-CG 4.03Å; L633-M712 HydrophobicContact CD2-CG 3.7Å; L633-M712 HydrophobicContact CD2-SD 3.88Å; L633-M712 HydrophobicContact CG-CG 4.21Å; L633-M712 WeakPolarHBondContact O-CE 3.41Å |
| 634 | N | 86.9 | Confident | 83.2 | Confident | 59 Ų | 59 | 43.4 Ų | 43.4 | 32% | 0.316 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -58.5 | -52.5 | 175.2 | -95.2 | -35 | 0 | 0 | 0 | 111.9 | Y630 D631 L632 A636 L637 E638 L708 | Y630-N634 WeakPolarHBondContact CE1-ND2 3.4Å; Y630-N634 PolarHBondContact O-N 3.28Å; D631-N634 PolarHBondContact O-N 3.11Å; L632-N634 VanDerWaalsContact C-N 3.34Å; N634-A636 VanDerWaalsContact C-N 3.27Å; N634-A636 PolarHBondContact O-N 3.12Å; N634-L637 PolarHBondContact O-N 3.23Å; N634-E638 WeakPolarHBondContact O-CB 3.43Å; N634-E638 PolarHBondContact O-N 3.04Å; N634-L708 HydrophobicContact CB-CD1 4.5Å; N634-L708 WeakPolarHBondContact OD1-CD2 3.48Å |
| 635 | A | 81.9 | Confident | 82.4 | Confident | 26 Ų | 26 | 48.4 Ų | 48.4 | 22% | 0.215 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -60.4 | -38.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | D631 L632 R639 | D631-A635 WeakPolarHBondContact O-CB 3.39Å; D631-A635 PolarHBondContact O-N 3.23Å; L632-A635 PolarHBondContact O-N 2.98Å; A635-R639 VanDerWaalsContact O-CB 3.26Å; A635-R639 WeakPolarHBondContact O-CB 3.28Å; A635-R639 PolarHBondContact O-N 3.42Å |
| 636 | A | 83 | Confident | 81.2 | Confident | 8 Ų | 8 | 52.3 Ų | 52.3 | 7% | 0.066 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -66.7 | -43.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | L603 L632 L633 N634 R639 D640 M712 | L603-A636 HydrophobicContact CB-CB 3.95Å; L603-A636 HydrophobicContact CD2-CB 3.59Å; L603-A636 HydrophobicContact CG-CB 4.23Å; L632-A636 VanDerWaalsContact O-CB 3.3Å; L632-A636 WeakPolarHBondContact O-CB 3.33Å; L632-A636 PolarHBondContact O-N 2.86Å; L633-A636 PolarHBondContact O-N 3.15Å; N634-A636 VanDerWaalsContact C-N 3.27Å; N634-A636 PolarHBondContact O-N 3.12Å; A636-R639 PolarHBondContact O-N 3.09Å; A636-D640 PolarHBondContact O-N 3.18Å; A636-M712 HydrophobicContact CB-CE 3.88Å; A636-M712 HydrophobicContact CB-SD 4.43Å |
| 637 | L | 84.8 | Confident | 80 | Confident | 41 Ų | 41 | 54.7 Ų | 54.7 | 22% | 0.215 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -65.1 | -44.6 | 175.9 | -75 | 166.3 | 0 | 0 | 0 | 111.9 | L633 N634 R639 D640 Q641 L708 M712 I715 | L633-L637 WeakPolarHBondContact O-CG 3.4Å; L633-L637 PolarHBondContact O-N 3.1Å; N634-L637 PolarHBondContact O-N 3.23Å; L637-R639 VanDerWaalsContact C-N 3.29Å; L637-R639 PolarHBondContact O-N 3.36Å; L637-D640 PolarHBondContact O-N 3.12Å; L637-Q641 WeakPolarHBondContact O-CB 3.34Å; L637-Q641 PolarHBondContact O-N 3.29Å; L637-L708 HydrophobicContact CD1-CB 4.35Å; L637-L708 HydrophobicContact CD1-CD2 3.65Å; L637-M712 HydrophobicContact CB-CE 4.36Å; L637-M712 HydrophobicContact CD1-CE 4.01Å; L637-M712 HydrophobicContact CD2-CE 3.59Å; L637-M712 HydrophobicContact CG-CE 3.31Å; L637-I715 HydrophobicContact CD2-CD1 3.71Å |
| 638 | E | 82 | Confident | 78.7 | Confident | 90 Ų | 90 | 52.8 Ų | 52.8 | 42% | 0.421 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -63.5 | -40 | 179.4 | -165.8 | -178.9 | -174 | 0 | 0 | 110.9 | N634 Q641 R642 | N634-E638 WeakPolarHBondContact O-CB 3.43Å; N634-E638 PolarHBondContact O-N 3.04Å; E638-Q641 PolarHBondContact O-N 3.46Å; E638-R642 VanDerWaalsContact O-CG 3.29Å; E638-R642 WeakPolarHBondContact O-CG 3.44Å; E638-R642 PolarHBondContact O-N 3.32Å; E638-R642 IonicContact OE1-CZ 2.77Å; E638-R642 IonicContact OE1-NE 3.12Å; E638-R642 IonicContact OE1-NH2 2.7Å; E638-R642 PolarHBondContact OE1-NH2 3.4Å; E638-R642 IonicContact OE2-CZ 3.3Å; E638-R642 IonicContact OE2-NH2 3.89Å; E638-R642 PolarHBondContact OE2-NH2 2.99Å |
| 639 | R | 76.2 | Confident | 77 | Confident | 50 Ų | 50 | 59.3 Ų | 59.3 | 19% | 0.189 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -62.5 | -47.5 | 173.5 | -174.2 | -178.3 | 177.5 | 108.4 | -7.8 | 111.9 | L600 D602 A635 A636 L637 Q641 R642 Q643 | L600-R639 PolarHBondContact O-NH1 3.29Å; L600-R639 PolarHBondContact O-NH2 2.99Å; D602-R639 IonicContact OD1-CZ 3.43Å; D602-R639 IonicContact OD1-NE 3.51Å; D602-R639 PolarHBondContact OD1-NE 2.87Å; D602-R639 IonicContact OD1-NH2 2.98Å; D602-R639 PolarHBondContact OD1-NH2 3.04Å; A635-R639 VanDerWaalsContact O-CB 3.26Å; A635-R639 WeakPolarHBondContact O-CB 3.28Å; A635-R639 PolarHBondContact O-N 3.42Å; A636-R639 PolarHBondContact O-N 3.09Å; L637-R639 VanDerWaalsContact C-N 3.29Å; L637-R639 PolarHBondContact O-N 3.36Å; R639-Q641 VanDerWaalsContact C-N 3.32Å; R639-Q641 PolarHBondContact O-N 2.71Å; R639-R642 PolarHBondContact O-N 2.77Å; R639-Q643 WeakPolarHBondContact O-CB 3.4Å; R639-Q643 VanDerWaalsContact O-CG 3.31Å; R639-Q643 WeakPolarHBondContact O-CG 3.48Å; R639-Q643 PolarHBondContact O-N 3.47Å |
| 640 | D | 77.6 | Confident | 75.3 | Confident | 13 Ų | 13 | 62.5 Ų | 62.5 | 7% | 0.07 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -60.2 | -42 | 177.2 | -177.5 | 72.9 | 0 | 0 | 0 | 111.1 | A636 L637 Q643 R644 I715 | A636-D640 PolarHBondContact O-N 3.18Å; L637-D640 PolarHBondContact O-N 3.12Å; D640-Q643 PolarHBondContact O-N 3.48Å; D640-R644 WeakPolarHBondContact O-CG 3.48Å; D640-R644 PolarHBondContact O-N 2.98Å; D640-R644 IonicContact OD1-NE 3.91Å; D640-R644 IonicContact OD2-CZ 3.73Å; D640-R644 IonicContact OD2-NE 3.21Å; D640-R644 PolarHBondContact OD2-NE 3.3Å; D640-R644 IonicContact OD2-NH2 3.58Å; D640-R644 PolarHBondContact OD2-NH2 3.08Å; D640-I715 HydrophobicContact CB-CD1 3.77Å |
| 641 | Q | 78.8 | Confident | 73.5 | Confident | 114 Ų | 114 | 61.9 Ų | 61.9 | 53% | 0.533 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -61.6 | -46.4 | 175.6 | -175.6 | 178.1 | -7.9 | 0 | 0 | 112.2 | L637 E638 R639 Q643 R644 Q645 | L637-Q641 WeakPolarHBondContact O-CB 3.34Å; L637-Q641 PolarHBondContact O-N 3.29Å; E638-Q641 PolarHBondContact O-N 3.46Å; R639-Q641 VanDerWaalsContact C-N 3.32Å; R639-Q641 PolarHBondContact O-N 2.71Å; Q641-Q643 VanDerWaalsContact C-N 3.34Å; Q641-Q643 PolarHBondContact O-N 3.39Å; Q641-R644 PolarHBondContact O-N 3.17Å; Q641-Q645 WeakPolarHBondContact O-CG 3.45Å; Q641-Q645 PolarHBondContact O-N 2.97Å |
| 642 | R | 74 | Confident | 71.8 | Confident | 132 Ų | 132 | 63.3 Ų | 63.3 | 50% | 0.498 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -61.8 | -41.6 | 175.7 | -71 | 172.4 | -171.3 | 161.8 | -0.1 | 111.4 | E638 R639 Q645 M646 | E638-R642 VanDerWaalsContact O-CG 3.29Å; E638-R642 WeakPolarHBondContact O-CG 3.44Å; E638-R642 PolarHBondContact O-N 3.32Å; E638-R642 IonicContact OE1-CZ 2.77Å; E638-R642 IonicContact OE1-NE 3.12Å; E638-R642 IonicContact OE1-NH2 2.7Å; E638-R642 PolarHBondContact OE1-NH2 3.4Å; E638-R642 IonicContact OE2-CZ 3.3Å; E638-R642 IonicContact OE2-NH2 3.89Å; E638-R642 PolarHBondContact OE2-NH2 2.99Å; R639-R642 PolarHBondContact O-N 2.77Å; R642-Q645 PolarHBondContact O-N 3.48Å; R642-M646 WeakPolarHBondContact O-CB 3.22Å; R642-M646 PolarHBondContact O-N 2.97Å |
| 643 | Q | 70.6 | Confident | 70.2 | Confident | 39 Ų | 39 | 67.9 Ų | 67.9 | 18% | 0.182 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -61.5 | -43.6 | 176.6 | -74.9 | 179.4 | -20.4 | 0 | 0 | 111.7 | R639 D640 Q641 M646 L647 F668 S670 | R639-Q643 WeakPolarHBondContact O-CB 3.4Å; R639-Q643 VanDerWaalsContact O-CG 3.31Å; R639-Q643 WeakPolarHBondContact O-CG 3.48Å; R639-Q643 PolarHBondContact O-N 3.47Å; D640-Q643 PolarHBondContact O-N 3.48Å; Q641-Q643 VanDerWaalsContact C-N 3.34Å; Q641-Q643 PolarHBondContact O-N 3.39Å; Q643-M646 PolarHBondContact O-N 2.98Å; Q643-L647 WeakPolarHBondContact O-CG 3.3Å; Q643-L647 PolarHBondContact O-N 3.42Å; Q643-F668 PolarHBondContact NE2-O 3.25Å; Q643-F668 PolarHBondContact OE1-O 2.64Å; Q643-S670 PolarHBondContact OE1-OG 3.11Å |
| 644 | R | 69.5 | Low | 67.9 | Low | 68 Ų | 68 | 71 Ų | 71 | 26% | 0.257 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -62.2 | -43.7 | 175.3 | -69.2 | -179.5 | -161.6 | -159.9 | 10.7 | 112.4 | D640 Q641 M646 L647 Q648 D920 | D640-R644 WeakPolarHBondContact O-CG 3.48Å; D640-R644 PolarHBondContact O-N 2.98Å; D640-R644 IonicContact OD1-NE 3.91Å; D640-R644 IonicContact OD2-CZ 3.73Å; D640-R644 IonicContact OD2-NE 3.21Å; D640-R644 PolarHBondContact OD2-NE 3.3Å; D640-R644 IonicContact OD2-NH2 3.58Å; D640-R644 PolarHBondContact OD2-NH2 3.08Å; Q641-R644 PolarHBondContact O-N 3.17Å; R644-M646 VanDerWaalsContact C-N 3.33Å; R644-M646 PolarHBondContact O-N 3.33Å; R644-L647 PolarHBondContact O-N 3.39Å; R644-Q648 WeakPolarHBondContact O-CG 3.3Å; R644-Q648 PolarHBondContact O-N 3.29Å; R644-D920 IonicContact NH1-OD2 3.54Å |
| 645 | Q | 71.3 | Confident | 65.8 | Low | 111 Ų | 111 | 76.3 Ų | 76.3 | 52% | 0.519 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -62.2 | -41 | 176.4 | -71.7 | 175.7 | -2.6 | 0 | 0 | 111.9 | Q641 R642 Q648 F649 | Q641-Q645 WeakPolarHBondContact O-CG 3.45Å; Q641-Q645 PolarHBondContact O-N 2.97Å; R642-Q645 PolarHBondContact O-N 3.48Å; Q645-Q648 PolarHBondContact O-N 3.07Å; Q645-F649 PolarHBondContact O-N 3.25Å |
| 646 | M | 64.4 | Low | 63.9 | Low | 112 Ų | 112 | 84.9 Ų | 84.9 | 55% | 0.552 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -66.5 | -42 | 177.7 | -164.1 | 177.7 | 82.4 | 0 | 0 | 111.9 | R642 Q643 R644 Q648 F649 T650 | R642-M646 WeakPolarHBondContact O-CB 3.22Å; R642-M646 PolarHBondContact O-N 2.97Å; Q643-M646 PolarHBondContact O-N 2.98Å; R644-M646 VanDerWaalsContact C-N 3.33Å; R644-M646 PolarHBondContact O-N 3.33Å; M646-Q648 VanDerWaalsContact C-N 3.32Å; M646-Q648 PolarHBondContact O-N 3.49Å; M646-F649 PolarHBondContact O-N 2.92Å; M646-T650 PolarHBondContact O-N 3.3Å; M646-T650 PolarHBondContact O-OG1 3.17Å |
| 647 | L | 64.2 | Low | 61.7 | Low | 71 Ų | 71 | 91.1 Ų | 91.1 | 37% | 0.372 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -60.2 | -41.8 | 175 | -74.4 | 168.8 | 0 | 0 | 0 | 111.6 | Q643 R644 F649 T650 Q651 | Q643-L647 WeakPolarHBondContact O-CG 3.3Å; Q643-L647 PolarHBondContact O-N 3.42Å; R644-L647 PolarHBondContact O-N 3.39Å; L647-F649 PolarHBondContact O-N 3.43Å; L647-T650 PolarHBondContact O-N 3.16Å; L647-Q651 WeakPolarHBondContact O-CB 3.03Å; L647-Q651 VanDerWaalsContact O-CG 3.31Å; L647-Q651 WeakPolarHBondContact O-CG 3.45Å; L647-Q651 PolarHBondContact O-N 2.9Å |
| 648 | Q | 58.3 | Low | 59.4 | Low | 62 Ų | 62 | 94 Ų | 94 | 29% | 0.29 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -62.4 | -41.9 | 175.3 | -71.9 | 178.3 | 16.3 | 0 | 0 | 112.4 | R644 Q645 M646 S652 D920 | R644-Q648 WeakPolarHBondContact O-CG 3.3Å; R644-Q648 PolarHBondContact O-N 3.29Å; Q645-Q648 PolarHBondContact O-N 3.07Å; M646-Q648 VanDerWaalsContact C-N 3.32Å; M646-Q648 PolarHBondContact O-N 3.49Å; Q648-S652 WeakPolarHBondContact O-CB 3.45Å; Q648-S652 PolarHBondContact O-N 3.14Å; Q648-D920 PolarHBondContact NE2-OD1 3.14Å |
| 649 | F | 54.9 | Low | 57.1 | Low | 137 Ų | 137 | 97.3 Ų | 97.3 | 60% | 0.601 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -64.7 | -44.1 | 177 | -169.1 | -103.5 | 0 | 0 | 0 | 111.4 | Q645 M646 L647 Q651 S652 I653 | Q645-F649 PolarHBondContact O-N 3.25Å; M646-F649 PolarHBondContact O-N 2.92Å; L647-F649 PolarHBondContact O-N 3.43Å; F649-Q651 PolarHBondContact O-N 3.19Å; F649-S652 PolarHBondContact O-N 3.34Å; F649-S652 VanDerWaalsContact O-N 3.16Å; F649-S652 PolarHBondContact O-OG 3.36Å; F649-I653 HydrophobicContact CD1-CD1 3.71Å; F649-I653 HydrophobicContact CE1-CD1 3.3Å; F649-I653 HydrophobicContact CE1-CG1 4.44Å; F649-I653 HydrophobicContact CZ-CD1 3.82Å; F649-I653 PolarHBondContact O-N 2.93Å |
| 650 | T | 53.5 | Low | 55 | Low | 66 Ų | 66 | 104.6 Ų | 104.6 | 41% | 0.405 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.6 | -42.1 | 179.9 | -38 | 0 | 0 | 0 | 0 | 111.4 | M646 L647 S652 I653 S654 | M646-T650 PolarHBondContact O-N 3.3Å; M646-T650 PolarHBondContact O-OG1 3.17Å; L647-T650 PolarHBondContact O-N 3.16Å; T650-S652 VanDerWaalsContact C-N 3.3Å; T650-S652 PolarHBondContact O-N 3.25Å; T650-I653 PolarHBondContact O-N 2.95Å; T650-S654 WeakPolarHBondContact O-CB 3.49Å; T650-S654 PolarHBondContact O-N 3.5Å; T650-S654 PolarHBondContact O-OG 3.4Å |
| 651 | Q | 51.2 | Low | 52.8 | Low | 57 Ų | 57 | 107.5 Ų | 107.5 | 27% | 0.266 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -66.7 | -29.6 | 174.9 | -72.7 | -178.9 | 3.5 | 0 | 0 | 113.1 | L647 F649 I653 S654 N922 | L647-Q651 WeakPolarHBondContact O-CB 3.03Å; L647-Q651 VanDerWaalsContact O-CG 3.31Å; L647-Q651 WeakPolarHBondContact O-CG 3.45Å; L647-Q651 PolarHBondContact O-N 2.9Å; F649-Q651 PolarHBondContact O-N 3.19Å; Q651-I653 VanDerWaalsContact C-N 3.34Å; Q651-S654 WeakPolarHBondContact CA-OG 3.48Å; Q651-S654 PolarHBondContact O-OG 3.39Å; Q651-N922 PolarHBondContact OE1-OD1 2.91Å |
| 652 | S | 50 | Low | 50.5 | Low | 70 Ų | 70 | 107.9 Ų | 107.9 | 49% | 0.49 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -69.1 | -34.2 | 175.5 | 78.5 | 0 | 0 | 0 | 0 | 112.1 | Q648 F649 T650 | Q648-S652 WeakPolarHBondContact O-CB 3.45Å; Q648-S652 PolarHBondContact O-N 3.14Å; F649-S652 PolarHBondContact O-N 3.34Å; F649-S652 VanDerWaalsContact O-N 3.16Å; F649-S652 PolarHBondContact O-OG 3.36Å; T650-S652 VanDerWaalsContact C-N 3.3Å; T650-S652 PolarHBondContact O-N 3.25Å |
| 653 | I | 51.6 | Low | 48.5 | Very low | 100 Ų | 100 | 106.5 Ų | 106.5 | 51% | 0.513 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -80.1 | -38.9 | 177.2 | -63.7 | 171 | 0 | 0 | 0 | 111.2 | F649 T650 Q651 K655 Y656 | F649-I653 HydrophobicContact CD1-CD1 3.71Å; F649-I653 HydrophobicContact CE1-CD1 3.3Å; F649-I653 HydrophobicContact CE1-CG1 4.44Å; F649-I653 HydrophobicContact CZ-CD1 3.82Å; F649-I653 PolarHBondContact O-N 2.93Å; T650-I653 PolarHBondContact O-N 2.95Å; Q651-I653 VanDerWaalsContact C-N 3.34Å; I653-K655 PolarHBondContact O-N 2.99Å; I653-K655 VanDerWaalsContact O-N 3.07Å; I653-Y656 PolarHBondContact O-N 2.89Å; I653-Y656 VanDerWaalsContact O-N 3.11Å |
| 654 | S | 41.2 | Very low | 46.7 | Very low | 66 Ų | 66 | 109.1 Ų | 109.1 | 46% | 0.462 | 60% | 0.599 | S | S | . | * | G | 310 helix | trans | -68.8 | -7.6 | -176.7 | 74.1 | 0 | 0 | 0 | 0 | 114.3 | T650 Q651 Y656 D657 | T650-S654 WeakPolarHBondContact O-CB 3.49Å; T650-S654 PolarHBondContact O-N 3.5Å; T650-S654 PolarHBondContact O-OG 3.4Å; Q651-S654 WeakPolarHBondContact CA-OG 3.48Å; Q651-S654 PolarHBondContact O-OG 3.39Å; S654-Y656 PolarHBondContact O-N 3.31Å; S654-Y656 VanDerWaalsContact O-N 3.15Å; S654-D657 PolarHBondContact O-N 3.45Å |
| 655 | K | 42.8 | Very low | 44.9 | Very low | 170 Ų | 170 | 108.8 Ų | 108.8 | 74% | 0.739 | 61% | 0.607 | S | S | * | * | G | 310 helix | trans | -61.5 | -13.9 | 167.5 | -77.3 | -174.4 | 179.8 | 176.9 | 0 | 113.3 | I653 | I653-K655 PolarHBondContact O-N 2.99Å; I653-K655 VanDerWaalsContact O-N 3.07Å |
| 656 | Y | 43.1 | Very low | 43.2 | Very low | 206 Ų | 206 | 107.6 Ų | 107.6 | 81% | 0.808 | 62% | 0.615 | S | S | * | * | G | 310 helix | trans | -100.3 | -9.3 | 176.9 | -80.2 | -79 | 0 | 0 | 0 | 116 | I653 S654 | I653-Y656 PolarHBondContact O-N 2.89Å; I653-Y656 VanDerWaalsContact O-N 3.11Å; S654-Y656 PolarHBondContact O-N 3.31Å; S654-Y656 VanDerWaalsContact O-N 3.15Å |
| 657 | D | 35 | Very low | 42 | Very low | 139 Ų | 139 | 110.2 Ų | 110.2 | 74% | 0.743 | 63% | 0.626 | S | S | * | * | trans | -146 | 82.1 | -178.5 | -86.1 | -44.5 | 0 | 0 | 0 | 112.4 | S654 N659 | S654-D657 PolarHBondContact O-N 3.45Å; D657-N659 PolarHBondContact O-N 3.09Å | ||
| 658 | A | 36.5 | Very low | 41.2 | Very low | 101 Ų | 101 | 112.5 Ų | 112.5 | 84% | 0.835 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.8 | 24.1 | -178 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 659 | N | 34.4 | Very low | 41.2 | Very low | 159 Ų | 159 | 112.1 Ų | 112.1 | 85% | 0.85 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -135.2 | 26.2 | -167.4 | -105.3 | -1.5 | 0 | 0 | 0 | 117.7 | D657 | D657-N659 PolarHBondContact O-N 3.09Š|
| 660 | K | 32.7 | Very low | 41.8 | Very low | 203 Ų | 203 | 105.7 Ų | 105.7 | 88% | 0.883 | 61% | 0.61 | S | S | * | * | S | Bend | trans | -136.7 | 132.1 | 163.2 | -74 | -173.1 | 178.9 | 174.5 | 0 | 111.9 | ||
| 661 | G | 30.3 | Very low | 43.3 | Very low | 75 Ų | 75 | 103.3 Ų | 103.3 | 77% | 0.773 | 59% | 0.593 | S | S | * | * | trans | -53.3 | 129.7 | -167.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | S663 | G661-S663 PolarHBondContact O-N 2.89Å; G661-S663 VanDerWaalsContact O-N 3.08Å | ||
| 662 | S | 31.4 | Very low | 45 | Very low | 122 Ų | 122 | 100.7 Ų | 100.7 | 85% | 0.853 | 58% | 0.581 | S | S | * | * | trans | -77.6 | 38.4 | -179.4 | 171.4 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 663 | S | 32 | Very low | 46.8 | Very low | 103 Ų | 103 | 98.8 Ų | 98.8 | 72% | 0.72 | 57% | 0.567 | S | S | * | * | trans | -93.5 | -6.6 | -172.4 | 56.1 | 0 | 0 | 0 | 0 | 116.3 | G661 | G661-S663 PolarHBondContact O-N 2.89Å; G661-S663 VanDerWaalsContact O-N 3.08Å | ||
| 664 | S | 33 | Very low | 48.5 | Very low | 93 Ų | 93 | 96.6 Ų | 96.6 | 65% | 0.65 | 56% | 0.558 | S | S | * | * | S | Bend | trans | -91.7 | -10.4 | -175 | 85.8 | 0 | 0 | 0 | 0 | 116.2 | ||
| 665 | C | 32.3 | Very low | 50.9 | Low | 62 Ų | 62 | 96.7 Ų | 96.7 | 42% | 0.419 | 55% | 0.551 | S | S | . | * | S | Bend | trans | -89.4 | -13 | -176.2 | -83.3 | 0 | 0 | 0 | 0 | 115.1 | H667 | C665-H667 PolarHBondContact O-N 2.88Š|
| 666 | A | 35.3 | Very low | 53.1 | Low | 85 Ų | 85 | 91.1 Ų | 91.1 | 70% | 0.702 | 54% | 0.537 | S | S | * | . | G | 310 helix | trans | -68.1 | -21.8 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | F668 | A666-F668 VanDerWaalsContact C-N 3.34Å; A666-F668 PolarHBondContact O-N 2.76Å |
| 667 | H | 38.7 | Very low | 55.4 | Low | 168 Ų | 168 | 82 Ų | 82 | 78% | 0.778 | 50% | 0.502 | S | S | * | . | G | 310 helix | trans | -81 | -4.9 | -174.7 | -88.2 | -78.1 | 0 | 0 | 0 | 115.4 | C665 | C665-H667 PolarHBondContact O-N 2.88Š|
| 668 | F | 47.6 | Very low | 58.1 | Low | 118 Ų | 118 | 75.3 Ų | 75.3 | 52% | 0.518 | 47% | 0.466 | S | S | . | . | G | 310 helix | trans | -104.1 | 11.5 | -175.7 | -62.9 | -72.1 | 0 | 0 | 0 | 114.4 | Q643 A666 S670 | Q643-F668 PolarHBondContact NE2-O 3.25Å; Q643-F668 PolarHBondContact OE1-O 2.64Å; A666-F668 VanDerWaalsContact C-N 3.34Å; A666-F668 PolarHBondContact O-N 2.76Å; F668-S670 PolarHBondContact O-N 3.02Å; F668-S670 VanDerWaalsContact O-N 3.11Å |
| 669 | S | 57.8 | Low | 60.9 | Low | 54 Ų | 54 | 73 Ų | 73 | 38% | 0.378 | 44% | 0.44 | S | S | . | . | trans | -74 | 109.2 | -176.2 | -162.9 | 0 | 0 | 0 | 0 | 111.1 | R671 | S669-R671 PolarHBondContact O-N 2.65Å; S669-R671 VanDerWaalsContact O-N 3.13Å; S669-R671 WeakPolarHBondContact OG-CG 3.36Å | ||
| 670 | S | 68.7 | Low | 63.6 | Low | 3 Ų | 3 | 66.7 Ų | 66.7 | 2% | 0.021 | 41% | 0.406 | C | S | . | . | trans | -73.4 | 7.6 | 174.8 | 57.7 | 0 | 0 | 0 | 0 | 114.1 | Q643 F668 | Q643-S670 PolarHBondContact OE1-OG 3.11Å; F668-S670 PolarHBondContact O-N 3.02Å; F668-S670 VanDerWaalsContact O-N 3.11Å | ||
| 671 | R | 83.7 | Confident | 66.5 | Low | 16 Ų | 16 | 57.2 Ų | 57.2 | 6% | 0.06 | 37% | 0.365 | C | S | . | . | trans | -75.2 | 145.2 | -174.5 | -61.6 | -174 | 69.4 | 82.9 | 4.2 | 112.7 | R604 S669 H714 I715 L716 G717 | R604-R671 WeakPolarHBondContact CD-O 3.41Å; S669-R671 PolarHBondContact O-N 2.65Å; S669-R671 VanDerWaalsContact O-N 3.13Å; S669-R671 WeakPolarHBondContact OG-CG 3.36Å; R671-H714 PolarHBondContact NH1-O 3.37Å; R671-H714 PolarHBondContact NH2-O 3.5Å; R671-I715 HydrophobicContact CB-CG2 4.25Å; R671-I715 WeakPolarHBondContact CB-O 3.47Å; R671-I715 HydrophobicContact CG-CG2 4.09Å; R671-I715 PolarHBondContact NE-O 2.97Å; R671-I715 VanDerWaalsContact NH2-C 3.27Å; R671-I715 PolarHBondContact NH2-O 3.41Å; R671-L716 PolarHBondContact NH2-O 3.45Å; R671-G717 PolarHBondContact NE-O 2.8Å; R671-G717 PolarHBondContact NH2-O 3.13Å | ||
| 672 | L | 87 | Confident | 69.5 | Low | 1 Ų | 1 | 53.8 Ų | 53.8 | 1% | 0.005 | 33% | 0.329 | C | S | . | . | B | Isolated β-bridge | trans | -87.7 | 112.1 | 179.4 | -55.4 | 173.1 | 0 | 0 | 0 | 108.9 | R604 L607 D677 L681 I715 L716 G717 | R604-L672 HydrophobicContact CB-CD2 4.2Å; L607-L672 HydrophobicContact CD1-CD2 4.15Å; L672-D677 HydrophobicContact CB-CB 4.01Å; L672-D677 HydrophobicContact CD2-CB 3.93Å; L672-L681 HydrophobicContact CD1-CB 4.22Å; L672-L681 HydrophobicContact CD1-CD2 3.63Å; L672-L681 HydrophobicContact CD1-CG 4.35Å; L672-I715 PolarHBondContact N-O 3.3Å; L672-L716 HydrophobicContact CB-CD2 3.95Å; L672-L716 HydrophobicContact CD1-CD2 3.89Å; L672-L716 HydrophobicContact CG-CD2 4.5Å; L672-G717 PolarHBondContact O-N 3.34Å |
| 673 | T | 87.1 | Confident | 72.4 | Confident | 31 Ų | 31 | 52.5 Ų | 52.5 | 19% | 0.19 | 31% | 0.309 | C | S | . | . | trans | -116 | -10.8 | -167 | 52.4 | 0 | 0 | 0 | 0 | 113.8 | R604 D677 I727 | R604-T673 PolarHBondContact NH1-OG1 2.98Å; R604-T673 PolarHBondContact NH2-OG1 2.93Å; T673-D677 PolarHBondContact N-OD2 3.03Å; T673-D677 VanDerWaalsContact N-OD2 3.14Å; T673-I727 VanDerWaalsContact O-CG2 3.27Å; T673-I727 WeakPolarHBondContact O-CG2 3.5Å | ||
| 674 | T | 88.8 | Confident | 75.2 | Confident | 54 Ų | 54 | 47.9 Ų | 47.9 | 33% | 0.331 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -118.9 | 157.8 | 178.6 | 71.3 | 0 | 0 | 0 | 0 | 111.5 | A676 D677 L678 | T674-A676 PolarHBondContact O-N 3.36Å; T674-D677 PolarHBondContact N-OD2 3.22Å; T674-D677 WeakPolarHBondContact O-CB 3.43Å; T674-D677 PolarHBondContact O-N 3.23Å; T674-D677 PolarHBondContact OG1-N 3.34Å; T674-D677 VanDerWaalsContact OG1-N 3.15Å; T674-D677 PolarHBondContact OG1-OD1 2.93Å; T674-D677 PolarHBondContact OG1-OD2 3.01Å; T674-L678 PolarHBondContact O-N 3.15Å |
| 675 | E | 91.6 | Very high | 78 | Confident | 67 Ų | 67 | 43.5 Ų | 43.5 | 31% | 0.313 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -61.9 | -31.1 | 174 | -81.1 | -173.3 | -108.9 | 0 | 0 | 113.3 | L678 D679 K730 L731 K734 | E675-L678 PolarHBondContact O-N 3.2Å; E675-D679 PolarHBondContact O-N 2.83Å; E675-K730 HydrophobicContact CG-CD 4.47Å; E675-K730 VanDerWaalsContact OE1-CD 3.31Å; E675-K730 WeakPolarHBondContact OE1-CD 3.44Å; E675-K730 WeakPolarHBondContact OE1-CE 3.47Å; E675-K730 IonicContact OE1-NZ 2.86Å; E675-K730 PolarHBondContact OE1-NZ 3.45Å; E675-L731 HydrophobicContact CG-CD2 4.22Å; E675-K734 HydrophobicContact CB-CD 4.46Å; E675-K734 HydrophobicContact CG-CD 4.1Å; E675-K734 IonicContact OE2-NZ 2.66Å; E675-K734 PolarHBondContact OE2-NZ 3.27Å; E675-K734 VanDerWaalsContact OE2-NZ 3.1Å |
| 676 | A | 89.3 | Confident | 80.8 | Confident | 54 Ų | 54 | 44.9 Ų | 44.9 | 45% | 0.446 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -67.7 | -40.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111 | T674 L678 D679 N680 | T674-A676 PolarHBondContact O-N 3.36Å; A676-L678 PolarHBondContact O-N 3.42Å; A676-D679 PolarHBondContact O-N 3.33Å; A676-N680 WeakPolarHBondContact O-CB 3.31Å; A676-N680 PolarHBondContact O-N 2.97Å; A676-N680 PolarHBondContact O-ND2 2.81Å; A676-N680 VanDerWaalsContact O-ND2 3.11Å |
| 677 | D | 90.3 | Very high | 83.2 | Confident | 13 Ų | 13 | 41.9 Ų | 41.9 | 7% | 0.07 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -57.8 | -41.3 | 174.1 | -58.1 | -32.8 | 0 | 0 | 0 | 110.7 | R604 L672 T673 T674 L681 | R604-D677 IonicContact CZ-OD2 3.84Å; R604-D677 IonicContact NE-OD1 3.97Å; R604-D677 IonicContact NE-OD2 3Å; R604-D677 PolarHBondContact NE-OD2 3.14Å; R604-D677 IonicContact NH2-OD2 3.7Å; L672-D677 HydrophobicContact CB-CB 4.01Å; L672-D677 HydrophobicContact CD2-CB 3.93Å; T673-D677 PolarHBondContact N-OD2 3.03Å; T673-D677 VanDerWaalsContact N-OD2 3.14Å; T674-D677 PolarHBondContact N-OD2 3.22Å; T674-D677 WeakPolarHBondContact O-CB 3.43Å; T674-D677 PolarHBondContact O-N 3.23Å; T674-D677 PolarHBondContact OG1-N 3.34Å; T674-D677 VanDerWaalsContact OG1-N 3.15Å; T674-D677 PolarHBondContact OG1-OD1 2.93Å; T674-D677 PolarHBondContact OG1-OD2 3.01Å; D677-L681 PolarHBondContact O-N 2.83Å |
| 678 | L | 92.8 | Very high | 85.6 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -69.3 | -42.6 | 178.2 | -173.4 | 61 | 0 | 0 | 0 | 112.4 | T674 E675 A676 N680 L681 F682 L716 L731 K734 A735 | T674-L678 PolarHBondContact O-N 3.15Å; E675-L678 PolarHBondContact O-N 3.2Å; A676-L678 PolarHBondContact O-N 3.42Å; L678-N680 VanDerWaalsContact C-N 3.34Å; L678-L681 HydrophobicContact CD1-CD2 4.43Å; L678-L681 WeakPolarHBondContact O-CB 3.37Å; L678-L681 PolarHBondContact O-N 2.72Å; L678-F682 HydrophobicContact CD1-CD2 3.85Å; L678-F682 HydrophobicContact CD1-CE2 3.46Å; L678-F682 VanDerWaalsContact CD1-CE2 3.46Å; L678-F682 HydrophobicContact CD1-CZ 4.46Å; L678-F682 HydrophobicContact CD2-CE2 4.27Å; L678-F682 HydrophobicContact CG-CD2 3.85Å; L678-F682 HydrophobicContact CG-CE2 3.71Å; L678-F682 VanDerWaalsContact O-CD2 3.25Å; L678-F682 WeakPolarHBondContact O-CD2 3.4Å; L678-F682 PolarHBondContact O-N 3.19Å; L678-L716 HydrophobicContact CD1-CD1 4.19Å; L678-L716 HydrophobicContact CD1-CD2 3.74Å; L678-L731 HydrophobicContact CB-CD2 4.14Å; L678-L731 HydrophobicContact CD2-CB 4.41Å; L678-L731 HydrophobicContact CD2-CD2 4.02Å; L678-L731 WeakPolarHBondContact CD2-O 3.23Å; L678-K734 HydrophobicContact CD2-CB 3.92Å; L678-K734 HydrophobicContact CD2-CD 4.22Å; L678-K734 HydrophobicContact CD2-CG 4.1Å; L678-A735 HydrophobicContact CD2-CB 4.27Å |
| 679 | D | 93.5 | Very high | 87.4 | Confident | 53 Ų | 53 | 29.9 Ų | 29.9 | 28% | 0.283 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -62 | -43.8 | 176.2 | -73.1 | -31.8 | 0 | 0 | 0 | 111.4 | E675 A676 L681 F682 E683 K734 R738 | E675-D679 PolarHBondContact O-N 2.83Å; A676-D679 PolarHBondContact O-N 3.33Å; D679-L681 VanDerWaalsContact C-N 3.33Å; D679-L681 PolarHBondContact O-N 3.36Å; D679-F682 PolarHBondContact O-N 3.18Å; D679-E683 WeakPolarHBondContact O-CB 2.98Å; D679-E683 PolarHBondContact O-N 3.27Å; D679-K734 WeakPolarHBondContact OD1-CE 3.31Å; D679-K734 IonicContact OD1-NZ 3.27Å; D679-K734 PolarHBondContact OD1-NZ 3.28Å; D679-K734 IonicContact OD2-NZ 2.8Å; D679-K734 PolarHBondContact OD2-NZ 3.49Å; D679-R738 IonicContact OD1-NH1 3.16Å |
| 680 | N | 92.2 | Very high | 88.5 | Confident | 25 Ų | 25 | 30.1 Ų | 30.1 | 13% | 0.134 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -64.6 | -37.3 | 177.2 | -64.5 | -27 | 0 | 0 | 0 | 111.7 | L607 R613 A676 L678 L684 | L607-N680 HydrophobicContact CB-CB 3.97Å; L607-N680 PolarHBondContact O-ND2 3.36Å; R613-N680 WeakPolarHBondContact CD-OD1 3.36Å; A676-N680 WeakPolarHBondContact O-CB 3.31Å; A676-N680 PolarHBondContact O-N 2.97Å; A676-N680 PolarHBondContact O-ND2 2.81Å; A676-N680 VanDerWaalsContact O-ND2 3.11Å; L678-N680 VanDerWaalsContact C-N 3.34Å; N680-L684 PolarHBondContact O-N 3.42Å |
| 681 | L | 93.2 | Very high | 88.4 | Confident | 5 Ų | 5 | 33.2 Ų | 33.2 | 3% | 0.026 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61 | -51.6 | 172.4 | 176.9 | 70 | 0 | 0 | 0 | 110.5 | L607 L633 L672 D677 L678 D679 E683 L684 I685 M712 | L607-L681 HydrophobicContact CD1-CB 4.06Å; L607-L681 HydrophobicContact CD1-CD1 4.29Å; L633-L681 HydrophobicContact CD2-CD1 3.74Å; L672-L681 HydrophobicContact CD1-CB 4.22Å; L672-L681 HydrophobicContact CD1-CD2 3.63Å; L672-L681 HydrophobicContact CD1-CG 4.35Å; D677-L681 PolarHBondContact O-N 2.83Å; L678-L681 HydrophobicContact CD1-CD2 4.43Å; L678-L681 WeakPolarHBondContact O-CB 3.37Å; L678-L681 PolarHBondContact O-N 2.72Å; D679-L681 VanDerWaalsContact C-N 3.33Å; D679-L681 PolarHBondContact O-N 3.36Å; L681-E683 VanDerWaalsContact C-N 3.31Å; L681-E683 PolarHBondContact O-N 3.36Å; L681-L684 WeakPolarHBondContact O-CB 2.95Å; L681-L684 PolarHBondContact O-N 2.97Å; L681-L684 VanDerWaalsContact O-N 3.11Å; L681-I685 HydrophobicContact CD1-CG2 4.13Å; L681-I685 HydrophobicContact CG-CD1 4.49Å; L681-I685 WeakPolarHBondContact O-CG1 3.41Å; L681-I685 PolarHBondContact O-N 2.85Å; L681-M712 HydrophobicContact CD2-CB 4.37Å |
| 682 | F | 93.9 | Very high | 87.4 | Confident | 2 Ų | 2 | 37.1 Ų | 37.1 | 1% | 0.009 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -62.9 | -35.9 | -179.7 | -82.8 | -66.4 | 0 | 0 | 0 | 112.9 | L678 D679 L684 I685 D686 L689 A735 R738 L739 | L678-F682 HydrophobicContact CD1-CD2 3.85Å; L678-F682 HydrophobicContact CD1-CE2 3.46Å; L678-F682 VanDerWaalsContact CD1-CE2 3.46Å; L678-F682 HydrophobicContact CD1-CZ 4.46Å; L678-F682 HydrophobicContact CD2-CE2 4.27Å; L678-F682 HydrophobicContact CG-CD2 3.85Å; L678-F682 HydrophobicContact CG-CE2 3.71Å; L678-F682 VanDerWaalsContact O-CD2 3.25Å; L678-F682 WeakPolarHBondContact O-CD2 3.4Å; L678-F682 PolarHBondContact O-N 3.19Å; D679-F682 PolarHBondContact O-N 3.18Å; F682-L684 VanDerWaalsContact C-N 3.3Å; F682-L684 PolarHBondContact O-N 3.23Å; F682-I685 HydrophobicContact CD1-CD1 4Å; F682-I685 HydrophobicContact CD1-CG1 4.21Å; F682-I685 HydrophobicContact CE1-CD1 4.18Å; F682-I685 PolarHBondContact O-N 2.85Å; F682-D686 WeakPolarHBondContact O-CB 3.47Å; F682-D686 PolarHBondContact O-N 3.29Å; F682-L689 HydrophobicContact CD1-CD1 3.83Å; F682-L689 HydrophobicContact CE1-CD1 4.09Å; F682-A735 HydrophobicContact CE2-CB 4.2Å; F682-A735 HydrophobicContact CZ-CB 4.18Å; F682-R738 HydrophobicContact CD1-CB 4.13Å; F682-R738 HydrophobicContact CD2-CB 4.22Å; F682-R738 HydrophobicContact CD2-CG 4.16Å; F682-R738 HydrophobicContact CE1-CB 3.9Å; F682-R738 HydrophobicContact CE2-CB 3.98Å; F682-R738 HydrophobicContact CE2-CG 4.22Å; F682-R738 HydrophobicContact CG-CB 4.3Å; F682-R738 HydrophobicContact CG-CG 4.44Å; F682-R738 HydrophobicContact CZ-CB 3.83Å; F682-L739 HydrophobicContact CE1-CD2 3.89Å; F682-L739 HydrophobicContact CE1-CG 4.06Å; F682-L739 HydrophobicContact CZ-CD2 4.34Å; F682-L739 HydrophobicContact CZ-CG 4.06Å |
| 683 | E | 91.2 | Very high | 85.6 | Confident | 95 Ų | 95 | 42.4 Ų | 42.4 | 44% | 0.444 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -62 | -37.9 | 173.5 | -172.1 | -177.5 | 174 | 0 | 0 | 112 | K625 D679 L681 | K625-E683 VanDerWaalsContact CE-O 3.22Å; K625-E683 WeakPolarHBondContact CE-O 3.33Å; K625-E683 PolarHBondContact NZ-O 2.88Å; D679-E683 WeakPolarHBondContact O-CB 2.98Å; D679-E683 PolarHBondContact O-N 3.27Å; L681-E683 VanDerWaalsContact C-N 3.31Å; L681-E683 PolarHBondContact O-N 3.36Å |
| 684 | L | 90.8 | Very high | 84 | Confident | 6 Ų | 6 | 48.6 Ų | 48.6 | 3% | 0.031 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -69.1 | -47.6 | 175.7 | 175.2 | 67.1 | 0 | 0 | 0 | 111.7 | L607 V616 K625 A629 L632 N680 L681 F682 | L607-L684 HydrophobicContact CD2-CB 4.28Å; L607-L684 HydrophobicContact CD2-CD2 3.82Å; V616-L684 HydrophobicContact CG1-CD1 4.08Å; K625-L684 WeakPolarHBondContact CE-O 3.41Å; A629-L684 HydrophobicContact CB-CD1 4.03Å; A629-L684 HydrophobicContact CB-CD2 4.45Å; A629-L684 HydrophobicContact CB-CG 3.82Å; L632-L684 HydrophobicContact CB-CD2 4.25Å; L632-L684 HydrophobicContact CD1-CD1 4.07Å; L632-L684 HydrophobicContact CD1-CD2 3.54Å; L632-L684 HydrophobicContact CD1-CG 4.43Å; L632-L684 HydrophobicContact CG-CD2 4.48Å; N680-L684 PolarHBondContact O-N 3.42Å; L681-L684 WeakPolarHBondContact O-CB 2.95Å; L681-L684 PolarHBondContact O-N 2.97Å; L681-L684 VanDerWaalsContact O-N 3.11Å; F682-L684 VanDerWaalsContact C-N 3.3Å; F682-L684 PolarHBondContact O-N 3.23Å |
| 685 | I | 92.3 | Very high | 82.5 | Confident | 2 Ų | 2 | 49.4 Ų | 49.4 | 1% | 0.01 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -88.5 | 0.2 | -171.6 | 70 | 167.8 | 0 | 0 | 0 | 114.3 | A629 L633 L681 F682 G687 L688 L689 I709 | A629-I685 HydrophobicContact CB-CG2 4.36Å; L633-I685 HydrophobicContact CD1-CG2 3.97Å; L633-I685 HydrophobicContact CD2-CG2 3.98Å; L633-I685 HydrophobicContact CG-CG2 4.26Å; L681-I685 HydrophobicContact CD1-CG2 4.13Å; L681-I685 HydrophobicContact CG-CD1 4.49Å; L681-I685 WeakPolarHBondContact O-CG1 3.41Å; L681-I685 PolarHBondContact O-N 2.85Å; F682-I685 HydrophobicContact CD1-CD1 4Å; F682-I685 HydrophobicContact CD1-CG1 4.21Å; F682-I685 HydrophobicContact CE1-CD1 4.18Å; F682-I685 PolarHBondContact O-N 2.85Å; I685-G687 PolarHBondContact O-N 3.1Å; I685-G687 VanDerWaalsContact O-N 3.08Å; I685-L688 HydrophobicContact CB-CD1 4.39Å; I685-L688 HydrophobicContact CG2-CD1 4.43Å; I685-L688 WeakPolarHBondContact O-CA 3.41Å; I685-L688 WeakPolarHBondContact O-CB 3.48Å; I685-L688 PolarHBondContact O-N 3.42Å; I685-L689 HydrophobicContact CD1-CD1 4.36Å; I685-L689 HydrophobicContact CD1-CD2 4.37Å; I685-L689 HydrophobicContact CD1-CG 4.46Å; I685-L689 HydrophobicContact CG1-CD1 4.29Å; I685-L689 HydrophobicContact CG1-CG 4.43Å; I685-L689 PolarHBondContact O-N 3.31Å; I685-I709 HydrophobicContact CD1-CD1 4.42Å; I685-I709 HydrophobicContact CD1-CG1 4.15Å; I685-I709 HydrophobicContact CD1-CG2 4.17Å |
| 686 | D | 90.1 | Very high | 80.6 | Confident | 90 Ų | 90 | 48.2 Ų | 48.2 | 48% | 0.481 | 29% | 0.286 | S | S | . | . | G | 310 helix | trans | -48.8 | -40.8 | -176.5 | -165 | 53.4 | 0 | 0 | 0 | 113 | F682 L688 L689 | F682-D686 WeakPolarHBondContact O-CB 3.47Å; F682-D686 PolarHBondContact O-N 3.29Å; D686-L688 VanDerWaalsContact C-N 3.34Å; D686-L688 PolarHBondContact O-N 3.15Å; D686-L689 WeakPolarHBondContact O-CB 3.26Å; D686-L689 PolarHBondContact O-N 3.15Å; D686-L689 VanDerWaalsContact O-N 3.14Å |
| 687 | G | 86.9 | Confident | 79.1 | Confident | 22 Ų | 22 | 55.1 Ų | 55.1 | 23% | 0.227 | 31% | 0.31 | C | S | . | . | G | 310 helix | trans | -63.4 | -34.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | I685 L689 T690 | I685-G687 PolarHBondContact O-N 3.1Å; I685-G687 VanDerWaalsContact O-N 3.08Å; G687-L689 PolarHBondContact O-N 3.5Å; G687-T690 PolarHBondContact O-N 3.23Å; G687-T690 PolarHBondContact O-OG1 3.41Å |
| 688 | L | 87.9 | Confident | 78.3 | Confident | 23 Ų | 23 | 57.3 Ų | 57.3 | 12% | 0.12 | 32% | 0.321 | C | S | . | . | G | 310 helix | trans | -75.6 | -10 | 177 | -57.8 | 179.3 | 0 | 0 | 0 | 113.2 | C626 A629 L633 I685 D686 A705 Q706 I709 | C626-L688 HydrophobicContact CB-CD2 3.83Å; A629-L688 HydrophobicContact CB-CD1 3.79Å; A629-L688 HydrophobicContact CB-CG 4.31Å; L633-L688 HydrophobicContact CD1-CD1 4.49Å; I685-L688 HydrophobicContact CB-CD1 4.39Å; I685-L688 HydrophobicContact CG2-CD1 4.43Å; I685-L688 WeakPolarHBondContact O-CA 3.41Å; I685-L688 WeakPolarHBondContact O-CB 3.48Å; I685-L688 PolarHBondContact O-N 3.42Å; D686-L688 VanDerWaalsContact C-N 3.34Å; D686-L688 PolarHBondContact O-N 3.15Å; L688-A705 HydrophobicContact CD2-CB 4.44Å; L688-Q706 PolarHBondContact O-NE2 3.18Å; L688-I709 HydrophobicContact CB-CD1 4.16Å |
| 689 | L | 87.2 | Confident | 77.6 | Confident | 11 Ų | 11 | 61.7 Ų | 61.7 | 6% | 0.058 | 35% | 0.35 | C | S | . | . | G | 310 helix | trans | -93.2 | -4.4 | 176.6 | -60.3 | 179.4 | 0 | 0 | 0 | 112.8 | F682 I685 D686 G687 I709 L739 A742 I746 | F682-L689 HydrophobicContact CD1-CD1 3.83Å; F682-L689 HydrophobicContact CE1-CD1 4.09Å; I685-L689 HydrophobicContact CD1-CD1 4.36Å; I685-L689 HydrophobicContact CD1-CD2 4.37Å; I685-L689 HydrophobicContact CD1-CG 4.46Å; I685-L689 HydrophobicContact CG1-CD1 4.29Å; I685-L689 HydrophobicContact CG1-CG 4.43Å; I685-L689 PolarHBondContact O-N 3.31Å; D686-L689 WeakPolarHBondContact O-CB 3.26Å; D686-L689 PolarHBondContact O-N 3.15Å; D686-L689 VanDerWaalsContact O-N 3.14Å; G687-L689 PolarHBondContact O-N 3.5Å; L689-I709 HydrophobicContact CD2-CD1 3.75Å; L689-L739 HydrophobicContact CD2-CD2 3.93Å; L689-A742 HydrophobicContact CB-CB 3.98Å; L689-A742 HydrophobicContact CD1-CB 4.49Å; L689-I746 HydrophobicContact CD2-CD1 4.42Å; L689-I746 HydrophobicContact CD2-CG2 4Å |
| 690 | T | 79.5 | Confident | 77.1 | Confident | 60 Ų | 60 | 63.9 Ų | 63.9 | 37% | 0.368 | 36% | 0.361 | S | S | . | . | trans | -77.3 | 132.2 | -177.9 | -44.6 | 0 | 0 | 0 | 0 | 110.4 | G687 D692 | G687-T690 PolarHBondContact O-N 3.23Å; G687-T690 PolarHBondContact O-OG1 3.41Å; T690-D692 HydrophobicContact CG2-CB 4.19Å | ||
| 691 | T | 66.9 | Low | 76.7 | Confident | 67 Ų | 67 | 68.6 Ų | 68.6 | 41% | 0.411 | 38% | 0.383 | S | S | . | . | trans | -101.4 | 10.4 | -176.7 | 53.2 | 0 | 0 | 0 | 0 | 113.8 | P693 A745 I746 | T691-P693 WeakPolarHBondContact O-CD 3.4Å; T691-A745 HydrophobicContact CG2-CB 3.87Å; T691-I746 HydrophobicContact CG2-CD1 4.18Å; T691-I746 HydrophobicContact CG2-CG1 3.96Å | ||
| 692 | D | 62.8 | Low | 76.4 | Confident | 98 Ų | 98 | 70.4 Ų | 70.4 | 52% | 0.524 | 39% | 0.39 | S | S | . | . | trans | -61.4 | 120.6 | -175.6 | -87 | -17.7 | 0 | 0 | 0 | 110.6 | T690 N694 S695 | T690-D692 HydrophobicContact CG2-CB 4.19Å; D692-N694 PolarHBondContact O-N 3.37Å; D692-S695 WeakPolarHBondContact O-CB 3.25Å; D692-S695 PolarHBondContact O-N 2.89Å; D692-S695 PolarHBondContact O-OG 3.11Å | ||
| 693 | P | 49.9 | Very low | 76.1 | Confident | 113 Ų | 113 | 73.6 Ų | 73.6 | 73% | 0.734 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -18.1 | -178.9 | 25.1 | -34.1 | 0 | 0 | 0 | 112.9 | T691 S695 | T691-P693 WeakPolarHBondContact O-CD 3.4Å; P693-S695 VanDerWaalsContact C-N 3.35Å |
| 694 | N | 52.4 | Low | 76.1 | Confident | 160 Ų | 160 | 73 Ų | 73 | 86% | 0.856 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.5 | -8.2 | 175.3 | -60.8 | -27.7 | 0 | 0 | 0 | 113.3 | D692 | D692-N694 PolarHBondContact O-N 3.37Š|
| 695 | S | 57.1 | Low | 76 | Confident | 71 Ų | 71 | 73 Ų | 73 | 50% | 0.497 | 41% | 0.408 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.7 | -22.3 | -172.2 | 70.9 | 0 | 0 | 0 | 0 | 114.2 | D692 P693 | D692-S695 WeakPolarHBondContact O-CB 3.25Å; D692-S695 PolarHBondContact O-N 2.89Å; D692-S695 PolarHBondContact O-OG 3.11Å; P693-S695 VanDerWaalsContact C-N 3.35Å |
| 696 | C | 52.7 | Low | 76.1 | Confident | 42 Ų | 42 | 73 Ų | 73 | 28% | 0.284 | 41% | 0.407 | S | S | . | . | trans | -123.5 | 102.8 | -179.4 | -161.3 | 0 | 0 | 0 | 0 | 109.2 | D698 | C696-D698 VanDerWaalsContact C-N 3.25Å; C696-D698 PolarHBondContact O-N 3.15Å; C696-D698 PolarHBondContact SG-O 3.46Å | ||
| 697 | E | 58.6 | Low | 76.2 | Confident | 200 Ų | 200 | 71.8 Ų | 71.8 | 94% | 0.935 | 41% | 0.406 | S | S | * | . | S | Bend | trans | -69.4 | -24.9 | 179.5 | -64.7 | -170.3 | 160.3 | 0 | 0 | 112 | ||
| 698 | D | 72.3 | Confident | 76.4 | Confident | 58 Ų | 58 | 71.5 Ų | 71.5 | 31% | 0.31 | 40% | 0.399 | S | S | . | . | trans | -118.4 | 113.3 | -179.2 | -169.9 | -8 | 0 | 0 | 0 | 112.6 | C696 N700 E701 F702 | C696-D698 VanDerWaalsContact C-N 3.25Å; C696-D698 PolarHBondContact O-N 3.15Å; C696-D698 PolarHBondContact SG-O 3.46Å; D698-N700 PolarHBondContact O-N 2.89Å; D698-N700 VanDerWaalsContact O-N 3.12Å; D698-N700 WeakPolarHBondContact OD1-CB 3.37Å; D698-N700 PolarHBondContact OD1-N 2.9Å; D698-N700 PolarHBondContact OD1-ND2 3.21Å; D698-E701 HydrophobicContact CB-CB 4.36Å; D698-E701 HydrophobicContact CB-CG 3.97Å; D698-E701 PolarHBondContact O-N 3.31Å; D698-F702 PolarHBondContact O-N 3.36Å | ||
| 699 | P | 78.3 | Confident | 76.7 | Confident | 93 Ų | 93 | 70.5 Ų | 70.5 | 60% | 0.604 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -54.4 | -28.5 | 173.7 | -25.6 | 34.2 | 0 | 0 | 0 | 114.6 | I703 | P699-I703 VanDerWaalsContact O-CG1 3.31Å; P699-I703 WeakPolarHBondContact O-CG1 3.25Å; P699-I703 PolarHBondContact O-N 2.97Å |
| 700 | N | 83.9 | Confident | 77 | Confident | 99 Ų | 99 | 70.8 Ų | 70.8 | 53% | 0.529 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -71.3 | -40.2 | -179.6 | -58.9 | -58.7 | 0 | 0 | 0 | 111.7 | D698 F702 I703 D704 | D698-N700 PolarHBondContact O-N 2.89Å; D698-N700 VanDerWaalsContact O-N 3.12Å; D698-N700 WeakPolarHBondContact OD1-CB 3.37Å; D698-N700 PolarHBondContact OD1-N 2.9Å; D698-N700 PolarHBondContact OD1-ND2 3.21Å; N700-F702 VanDerWaalsContact C-N 3.27Å; N700-F702 PolarHBondContact O-N 2.87Å; N700-I703 PolarHBondContact O-N 3.47Å; N700-I703 VanDerWaalsContact O-N 3.14Å; N700-D704 PolarHBondContact O-N 3.42Å |
| 701 | E | 83.8 | Confident | 77.6 | Confident | 124 Ų | 124 | 68.8 Ų | 68.8 | 58% | 0.579 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -61.2 | -38.9 | 176.9 | -69.6 | -174.4 | 169.1 | 0 | 0 | 111.3 | D698 D704 A705 | D698-E701 HydrophobicContact CB-CB 4.36Å; D698-E701 HydrophobicContact CB-CG 3.97Å; D698-E701 PolarHBondContact O-N 3.31Å; E701-D704 PolarHBondContact O-N 3.5Å; E701-A705 WeakPolarHBondContact O-CB 3.26Å; E701-A705 PolarHBondContact O-N 3.05Å |
| 702 | F | 86.2 | Confident | 78.8 | Confident | 42 Ų | 42 | 65.8 Ų | 65.8 | 18% | 0.184 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -62.3 | -47.3 | 173.8 | -179 | -101 | 0 | 0 | 0 | 111.7 | D698 N700 D704 A705 Q706 A745 I746 F749 | D698-F702 PolarHBondContact O-N 3.36Å; N700-F702 VanDerWaalsContact C-N 3.27Å; N700-F702 PolarHBondContact O-N 2.87Å; F702-D704 VanDerWaalsContact C-N 3.32Å; F702-D704 PolarHBondContact O-N 2.88Å; F702-A705 PolarHBondContact O-N 3.28Å; F702-Q706 HydrophobicContact CD1-CG 4.08Å; F702-Q706 HydrophobicContact CD2-CG 4.43Å; F702-Q706 HydrophobicContact CE1-CG 3.67Å; F702-Q706 HydrophobicContact CE2-CG 4.05Å; F702-Q706 HydrophobicContact CG-CG 4.45Å; F702-Q706 HydrophobicContact CZ-CG 3.66Å; F702-Q706 VanDerWaalsContact O-CG 3.31Å; F702-Q706 WeakPolarHBondContact O-CG 3.38Å; F702-Q706 PolarHBondContact O-N 3.44Å; F702-A745 HydrophobicContact CE1-CB 4.46Å; F702-A745 HydrophobicContact CZ-CB 4.22Å; F702-I746 HydrophobicContact CE2-CD1 4.04Å; F702-I746 HydrophobicContact CZ-CD1 3.84Å; F702-F749 HydrophobicContact CD1-CE2 4.37Å; F702-F749 HydrophobicContact CE1-CD2 4.1Å; F702-F749 AromaticContact CE1-CE2 3.76Å; F702-F749 HydrophobicContact CE1-CE2 3.76Å |
| 703 | I | 88.5 | Confident | 80.2 | Confident | 70 Ų | 70 | 61.3 Ų | 61.3 | 36% | 0.359 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -61.1 | -43.2 | 179.1 | -68 | 165.7 | 0 | 0 | 0 | 110.8 | P699 N700 Q706 S707 F749 | P699-I703 VanDerWaalsContact O-CG1 3.31Å; P699-I703 WeakPolarHBondContact O-CG1 3.25Å; P699-I703 PolarHBondContact O-N 2.97Å; N700-I703 PolarHBondContact O-N 3.47Å; N700-I703 VanDerWaalsContact O-N 3.14Å; I703-Q706 PolarHBondContact O-N 3.07Å; I703-S707 WeakPolarHBondContact O-CB 3.45Å; I703-S707 PolarHBondContact O-N 2.97Å; I703-S707 PolarHBondContact O-OG 2.95Å; I703-F749 HydrophobicContact CG1-CE1 4.15Å; I703-F749 HydrophobicContact CG1-CZ 4.06Å; I703-F749 HydrophobicContact CG2-CE1 4.37Å |
| 704 | D | 89.7 | Confident | 82.1 | Confident | 81 Ų | 81 | 59.1 Ų | 59.1 | 43% | 0.433 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -63.7 | -47.2 | 177.7 | -72.7 | -15.8 | 0 | 0 | 0 | 110.6 | Y630 N700 E701 F702 Q706 S707 L708 | Y630-D704 HydrophobicContact CE2-CB 4.31Å; N700-D704 PolarHBondContact O-N 3.42Å; E701-D704 PolarHBondContact O-N 3.5Å; F702-D704 VanDerWaalsContact C-N 3.32Å; F702-D704 PolarHBondContact O-N 2.88Å; D704-Q706 VanDerWaalsContact C-N 3.35Å; D704-Q706 PolarHBondContact O-N 3.41Å; D704-S707 WeakPolarHBondContact O-CB 3.48Å; D704-S707 PolarHBondContact O-N 3.23Å; D704-S707 VanDerWaalsContact O-N 3.09Å; D704-L708 WeakPolarHBondContact O-CG 3.36Å; D704-L708 PolarHBondContact O-N 2.94Å |
| 705 | A | 89.6 | Confident | 83.8 | Confident | 7 Ų | 7 | 51.7 Ų | 51.7 | 6% | 0.058 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -58.7 | -44.4 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y630 L688 E701 F702 S707 L708 I709 | Y630-A705 HydrophobicContact CD2-CB 4.27Å; L688-A705 HydrophobicContact CD2-CB 4.44Å; E701-A705 WeakPolarHBondContact O-CB 3.26Å; E701-A705 PolarHBondContact O-N 3.05Å; F702-A705 PolarHBondContact O-N 3.28Å; A705-S707 VanDerWaalsContact C-N 3.29Å; A705-S707 PolarHBondContact O-N 3.47Å; A705-L708 PolarHBondContact O-N 2.74Å; A705-I709 WeakPolarHBondContact O-CG1 3.43Å; A705-I709 PolarHBondContact O-N 2.61Å; A705-I709 VanDerWaalsContact O-N 3.07Å |
| 706 | Q | 93.3 | Very high | 85.3 | Confident | 1 Ų | 1 | 48.3 Ų | 48.3 | 1% | 0.005 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -65.5 | -33.3 | 175.8 | -65.2 | -43.1 | -57.5 | 0 | 0 | 112.4 | L688 F702 I703 D704 L708 I709 A710 I746 F749 N750 | L688-Q706 PolarHBondContact O-NE2 3.18Å; F702-Q706 HydrophobicContact CD1-CG 4.08Å; F702-Q706 HydrophobicContact CD2-CG 4.43Å; F702-Q706 HydrophobicContact CE1-CG 3.67Å; F702-Q706 HydrophobicContact CE2-CG 4.05Å; F702-Q706 HydrophobicContact CG-CG 4.45Å; F702-Q706 HydrophobicContact CZ-CG 3.66Å; F702-Q706 VanDerWaalsContact O-CG 3.31Å; F702-Q706 WeakPolarHBondContact O-CG 3.38Å; F702-Q706 PolarHBondContact O-N 3.44Å; I703-Q706 PolarHBondContact O-N 3.07Å; D704-Q706 VanDerWaalsContact C-N 3.35Å; D704-Q706 PolarHBondContact O-N 3.41Å; Q706-L708 VanDerWaalsContact C-N 3.35Å; Q706-I709 PolarHBondContact O-N 3.27Å; Q706-A710 WeakPolarHBondContact O-CB 3.32Å; Q706-A710 PolarHBondContact O-N 3.1Å; Q706-I746 VanDerWaalsContact OE1-CD1 3.32Å; Q706-F749 HydrophobicContact CB-CB 3.69Å; Q706-F749 HydrophobicContact CB-CD1 4.19Å; Q706-F749 HydrophobicContact CB-CD2 4.22Å; Q706-F749 HydrophobicContact CB-CG 3.78Å; Q706-F749 HydrophobicContact CG-CB 4.17Å; Q706-F749 HydrophobicContact CG-CD2 3.99Å; Q706-F749 HydrophobicContact CG-CG 4.08Å; Q706-N750 PolarHBondContact O-OD1 3.17Å; Q706-N750 PolarHBondContact OE1-ND2 3.34Å |
| 707 | S | 92.2 | Very high | 86.9 | Confident | 65 Ų | 65 | 46.3 Ų | 46.3 | 46% | 0.455 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -66.4 | -37.1 | 175.3 | -59.1 | 0 | 0 | 0 | 0 | 111.8 | I703 D704 A705 A710 G711 | I703-S707 WeakPolarHBondContact O-CB 3.45Å; I703-S707 PolarHBondContact O-N 2.97Å; I703-S707 PolarHBondContact O-OG 2.95Å; D704-S707 WeakPolarHBondContact O-CB 3.48Å; D704-S707 PolarHBondContact O-N 3.23Å; D704-S707 VanDerWaalsContact O-N 3.09Å; A705-S707 VanDerWaalsContact C-N 3.29Å; A705-S707 PolarHBondContact O-N 3.47Å; S707-A710 PolarHBondContact O-N 3.02Å; S707-G711 PolarHBondContact O-N 3.43Å |
| 708 | L | 92.2 | Very high | 88 | Confident | 16 Ų | 16 | 37.4 Ų | 37.4 | 8% | 0.084 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -66.7 | -41.4 | 173.5 | -61.1 | 179.7 | 0 | 0 | 0 | 112.2 | Y630 L633 N634 L637 D704 A705 Q706 G711 M712 | Y630-L708 HydrophobicContact CD1-CD1 4.47Å; Y630-L708 HydrophobicContact CD2-CD1 3.58Å; Y630-L708 HydrophobicContact CE1-CD1 4.37Å; Y630-L708 HydrophobicContact CE2-CD1 3.47Å; Y630-L708 VanDerWaalsContact CE2-CD1 3.47Å; Y630-L708 HydrophobicContact CE2-CG 4.5Å; Y630-L708 HydrophobicContact CG-CD1 4.09Å; L633-L708 HydrophobicContact CB-CB 4.01Å; L633-L708 HydrophobicContact CB-CD1 4.31Å; L633-L708 HydrophobicContact CD1-CB 4.05Å; N634-L708 HydrophobicContact CB-CD1 4.5Å; N634-L708 WeakPolarHBondContact OD1-CD2 3.48Å; L637-L708 HydrophobicContact CD1-CB 4.35Å; L637-L708 HydrophobicContact CD1-CD2 3.65Å; D704-L708 WeakPolarHBondContact O-CG 3.36Å; D704-L708 PolarHBondContact O-N 2.94Å; A705-L708 PolarHBondContact O-N 2.74Å; Q706-L708 VanDerWaalsContact C-N 3.35Å; L708-G711 CarbonylContact O-C 3.52Å; L708-G711 WeakPolarHBondContact O-CA 3.46Å; L708-G711 PolarHBondContact O-N 3.17Å; L708-M712 WeakPolarHBondContact O-CG 3.25Å; L708-M712 PolarHBondContact O-N 3.14Å |
| 709 | I | 94.1 | Very high | 88.2 | Confident | 3 Ų | 3 | 38.6 Ų | 38.6 | 2% | 0.015 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63.5 | -46.6 | 175.9 | -62.5 | 161.9 | 0 | 0 | 0 | 109.8 | L633 I685 L688 L689 A705 Q706 G711 M712 L713 L739 N750 | L633-I709 HydrophobicContact CD1-CG1 3.93Å; I685-I709 HydrophobicContact CD1-CD1 4.42Å; I685-I709 HydrophobicContact CD1-CG1 4.15Å; I685-I709 HydrophobicContact CD1-CG2 4.17Å; L688-I709 HydrophobicContact CB-CD1 4.16Å; L689-I709 HydrophobicContact CD2-CD1 3.75Å; A705-I709 WeakPolarHBondContact O-CG1 3.43Å; A705-I709 PolarHBondContact O-N 2.61Å; A705-I709 VanDerWaalsContact O-N 3.07Å; Q706-I709 PolarHBondContact O-N 3.27Å; I709-G711 PolarHBondContact O-N 3.2Å; I709-M712 WeakPolarHBondContact O-CB 3.44Å; I709-M712 PolarHBondContact O-N 2.6Å; I709-L713 WeakPolarHBondContact O-CG 3.43Å; I709-L713 PolarHBondContact O-N 3.05Å; I709-L713 VanDerWaalsContact O-N 3.11Å; I709-L739 HydrophobicContact CG2-CD2 4.35Å; I709-N750 WeakPolarHBondContact CB-OD1 3.38Å; I709-N750 VanDerWaalsContact CG2-OD1 3.25Å; I709-N750 WeakPolarHBondContact CG2-OD1 3.44Å |
| 710 | A | 93.6 | Very high | 88.2 | Confident | 17 Ų | 17 | 37.2 Ų | 37.2 | 14% | 0.14 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -57.5 | -40.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q706 S707 L713 H714 N750 A753 | Q706-A710 WeakPolarHBondContact O-CB 3.32Å; Q706-A710 PolarHBondContact O-N 3.1Å; S707-A710 PolarHBondContact O-N 3.02Å; A710-L713 WeakPolarHBondContact O-CB 3.45Å; A710-L713 PolarHBondContact O-N 3.43Å; A710-H714 PolarHBondContact O-CD2 2.93Å; A710-N750 PolarHBondContact N-OD1 3.45Å; A710-N750 VanDerWaalsContact N-OD1 3.15Å; A710-A753 HydrophobicContact CB-CB 4.29Å |
| 711 | G | 92.7 | Very high | 87.9 | Confident | 17 Ų | 17 | 33.5 Ų | 33.5 | 18% | 0.175 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -57.6 | -47.5 | 170.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | S707 L708 I709 L713 H714 | S707-G711 PolarHBondContact O-N 3.43Å; L708-G711 CarbonylContact O-C 3.52Å; L708-G711 WeakPolarHBondContact O-CA 3.46Å; L708-G711 PolarHBondContact O-N 3.17Å; I709-G711 PolarHBondContact O-N 3.2Å; G711-L713 PolarHBondContact O-N 2.85Å; G711-H714 WeakPolarHBondContact O-CB 3.29Å; G711-H714 PolarHBondContact O-N 2.89Å; G711-H714 VanDerWaalsContact O-N 3.07Å |
| 712 | M | 91.7 | Very high | 87.3 | Confident | 4 Ų | 4 | 30 Ų | 30 | 2% | 0.02 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -58.3 | -34 | 176.5 | -73.8 | -66 | 108.1 | 0 | 0 | 112.7 | L603 L633 A636 L637 L681 L708 I709 H714 I715 | L603-M712 HydrophobicContact CD2-SD 3.93Å; L633-M712 HydrophobicContact CB-CE 4.45Å; L633-M712 HydrophobicContact CB-CG 4.35Å; L633-M712 HydrophobicContact CD1-CG 4.03Å; L633-M712 HydrophobicContact CD2-CG 3.7Å; L633-M712 HydrophobicContact CD2-SD 3.88Å; L633-M712 HydrophobicContact CG-CG 4.21Å; L633-M712 WeakPolarHBondContact O-CE 3.41Å; A636-M712 HydrophobicContact CB-CE 3.88Å; A636-M712 HydrophobicContact CB-SD 4.43Å; L637-M712 HydrophobicContact CB-CE 4.36Å; L637-M712 HydrophobicContact CD1-CE 4.01Å; L637-M712 HydrophobicContact CD2-CE 3.59Å; L637-M712 HydrophobicContact CG-CE 3.31Å; L681-M712 HydrophobicContact CD2-CB 4.37Å; L708-M712 WeakPolarHBondContact O-CG 3.25Å; L708-M712 PolarHBondContact O-N 3.14Å; I709-M712 WeakPolarHBondContact O-CB 3.44Å; I709-M712 PolarHBondContact O-N 2.6Å; M712-H714 PolarHBondContact O-N 3.49Å; M712-I715 HydrophobicContact CE-CD1 3.87Å; M712-I715 WeakPolarHBondContact O-CA 2.87Å; M712-I715 WeakPolarHBondContact O-CB 3.31Å; M712-I715 PolarHBondContact O-N 3.34Å |
| 713 | L | 92.5 | Very high | 87 | Confident | 4 Ų | 4 | 34.4 Ų | 34.4 | 2% | 0.021 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -63.2 | -26.2 | 178.2 | -61.9 | 176.1 | 0 | 0 | 0 | 112.7 | I709 A710 G711 I715 L716 A735 L739 N750 A753 L754 | I709-L713 WeakPolarHBondContact O-CG 3.43Å; I709-L713 PolarHBondContact O-N 3.05Å; I709-L713 VanDerWaalsContact O-N 3.11Å; A710-L713 WeakPolarHBondContact O-CB 3.45Å; A710-L713 PolarHBondContact O-N 3.43Å; G711-L713 PolarHBondContact O-N 2.85Å; L713-I715 VanDerWaalsContact C-N 3.26Å; L713-I715 PolarHBondContact O-N 3.35Å; L713-L716 HydrophobicContact CD2-CD1 3.78Å; L713-A735 HydrophobicContact CD2-CB 4.14Å; L713-L739 HydrophobicContact CD1-CD1 3.88Å; L713-L739 HydrophobicContact CD2-CD1 4.17Å; L713-N750 HydrophobicContact CD1-CB 3.95Å; L713-A753 HydrophobicContact CB-CB 4.31Å; L713-A753 HydrophobicContact CD1-CB 4.25Å; L713-L754 HydrophobicContact CB-CD2 4.45Å; L713-L754 HydrophobicContact CD1-CD2 4.06Å; L713-L754 HydrophobicContact CD1-CG 4.01Å; L713-L754 HydrophobicContact CD2-CD2 4.1Å; L713-L754 HydrophobicContact CG-CD2 4.43Å |
| 714 | H | 88.8 | Confident | 86.8 | Confident | 67 Ų | 67 | 33.7 Ų | 33.7 | 31% | 0.31 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | -16.1 | 172.9 | -67.4 | -80.6 | 0 | 0 | 0 | 113.6 | R671 A710 G711 M712 Q757 | R671-H714 PolarHBondContact NH1-O 3.37Å; R671-H714 PolarHBondContact NH2-O 3.5Å; A710-H714 PolarHBondContact O-CD2 2.93Å; G711-H714 WeakPolarHBondContact O-CB 3.29Å; G711-H714 PolarHBondContact O-N 2.89Å; G711-H714 VanDerWaalsContact O-N 3.07Å; M712-H714 PolarHBondContact O-N 3.49Å; H714-Q757 VanDerWaalsContact ND1-CD 3.34Å; H714-Q757 PolarHBondContact ND1-NE2 3.2Å |
| 715 | I | 87.2 | Confident | 86.7 | Confident | 4 Ų | 4 | 30.3 Ų | 30.3 | 2% | 0.021 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | -7.7 | -178.4 | -64.9 | 178.8 | 0 | 0 | 0 | 112 | L637 D640 R671 L672 M712 L713 | L637-I715 HydrophobicContact CD2-CD1 3.71Å; D640-I715 HydrophobicContact CB-CD1 3.77Å; R671-I715 HydrophobicContact CB-CG2 4.25Å; R671-I715 WeakPolarHBondContact CB-O 3.47Å; R671-I715 HydrophobicContact CG-CG2 4.09Å; R671-I715 PolarHBondContact NE-O 2.97Å; R671-I715 VanDerWaalsContact NH2-C 3.27Å; R671-I715 PolarHBondContact NH2-O 3.41Å; L672-I715 PolarHBondContact N-O 3.3Å; M712-I715 HydrophobicContact CE-CD1 3.87Å; M712-I715 WeakPolarHBondContact O-CA 2.87Å; M712-I715 WeakPolarHBondContact O-CB 3.31Å; M712-I715 PolarHBondContact O-N 3.34Å; L713-I715 VanDerWaalsContact C-N 3.26Å; L713-I715 PolarHBondContact O-N 3.35Å |
| 716 | L | 89.4 | Confident | 86.7 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 20% | 0.203 | C | C | . | . | B | Isolated β-bridge | trans | -68.3 | 139.3 | 177.2 | -60.2 | -177.5 | 0 | 0 | 0 | 112.7 | R671 L672 L678 L713 F732 A735 | R671-L716 PolarHBondContact NH2-O 3.45Å; L672-L716 HydrophobicContact CB-CD2 3.95Å; L672-L716 HydrophobicContact CD1-CD2 3.89Å; L672-L716 HydrophobicContact CG-CD2 4.5Å; L678-L716 HydrophobicContact CD1-CD1 4.19Å; L678-L716 HydrophobicContact CD1-CD2 3.74Å; L713-L716 HydrophobicContact CD2-CD1 3.78Å; L716-F732 HydrophobicContact CB-CD1 4.35Å; L716-F732 HydrophobicContact CB-CE1 3.92Å; L716-F732 HydrophobicContact CD1-CD1 4.27Å; L716-A735 HydrophobicContact CD1-CB 4.12Å |
| 717 | G | 86 | Confident | 86.6 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 22% | 0.218 | C | C | . | . | S | Bend | trans | 79.1 | 165.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | R671 L672 | R671-G717 PolarHBondContact NE-O 2.8Å; R671-G717 PolarHBondContact NH2-O 3.13Å; L672-G717 PolarHBondContact O-N 3.34Å |
| 718 | P | 82.1 | Confident | 86.6 | Confident | 14 Ų | 14 | 33.7 Ų | 33.7 | 9% | 0.091 | 20% | 0.197 | C | C | . | . | trans | -62.3 | 154.9 | 175.5 | 25.8 | -35.3 | 0 | 0 | 0 | 112.7 | P720 K721 L723 D724 | P718-P720 CarbonylContact O-C 3.49Å; P718-K721 PolarHBondContact O-N 3.11Å; P718-L723 HydrophobicContact CB-CB 4.18Å; P718-L723 HydrophobicContact CB-CD2 3.91Å; P718-L723 HydrophobicContact CB-CG 4.5Å; P718-L723 HydrophobicContact CG-CB 4.35Å; P718-D724 HydrophobicContact CG-CB 4.05Å | ||
| 719 | S | 76 | Confident | 86.7 | Confident | 82 Ų | 82 | 34.9 Ų | 34.9 | 57% | 0.573 | 20% | 0.201 | S | C | * | . | S | Bend | trans | -124.3 | 125.6 | 170 | -178.7 | 0 | 0 | 0 | 0 | 109.4 | ||
| 720 | P | 78.4 | Confident | 86.7 | Confident | 64 Ų | 64 | 40.4 Ų | 40.4 | 42% | 0.416 | 23% | 0.225 | S | C | . | . | S | Bend | cis | -68.4 | 152.2 | -0.9 | 30.3 | -35.6 | 0 | 0 | 0 | 112.3 | P718 S722 L723 | P718-P720 CarbonylContact O-C 3.49Å; P720-S722 WeakPolarHBondContact CG-OG 3.32Å; P720-S722 PolarHBondContact O-N 3.36Å; P720-L723 WeakPolarHBondContact O-CB 3.27Å; P720-L723 PolarHBondContact O-N 2.77Å |
| 721 | K | 78 | Confident | 86.8 | Confident | 22 Ų | 22 | 39.7 Ų | 39.7 | 10% | 0.096 | 22% | 0.219 | C | C | . | . | G | 310 helix | trans | -59.1 | -20 | 178.5 | -69 | 177.8 | 176.7 | 173.6 | 0 | 113.2 | P718 L723 D724 P725 Q757 L761 T764 | P718-K721 PolarHBondContact O-N 3.11Å; K721-L723 PolarHBondContact O-N 3.16Å; K721-D724 CarbonylContact O-C 3.47Å; K721-D724 PolarHBondContact O-N 3.47Å; K721-P725 WeakPolarHBondContact O-CA 3.49Å; K721-Q757 VanDerWaalsContact CE-OE1 3.3Å; K721-Q757 PolarHBondContact NZ-O 2.97Å; K721-L761 HydrophobicContact CB-CD1 4.36Å; K721-L761 HydrophobicContact CD-CD1 4.43Å; K721-T764 HydrophobicContact CB-CG2 4.27Å |
| 722 | S | 72 | Confident | 86.9 | Confident | 50 Ų | 50 | 38.9 Ų | 38.9 | 35% | 0.35 | 21% | 0.21 | S | C | . | . | G | 310 helix | trans | -65.9 | -16.9 | 176.3 | 54 | 0 | 0 | 0 | 0 | 113.9 | P720 | P720-S722 WeakPolarHBondContact CG-OG 3.32Å; P720-S722 PolarHBondContact O-N 3.36Å |
| 723 | L | 79.2 | Confident | 87.1 | Confident | 135 Ų | 135 | 40.9 Ų | 40.9 | 71% | 0.707 | 22% | 0.223 | S | C | * | . | G | 310 helix | trans | -65.5 | -46.4 | 177.1 | -176.5 | 65.5 | 0 | 0 | 0 | 111.8 | P718 P720 K721 | P718-L723 HydrophobicContact CB-CB 4.18Å; P718-L723 HydrophobicContact CB-CD2 3.91Å; P718-L723 HydrophobicContact CB-CG 4.5Å; P718-L723 HydrophobicContact CG-CB 4.35Å; P720-L723 WeakPolarHBondContact O-CB 3.27Å; P720-L723 PolarHBondContact O-N 2.77Å; K721-L723 PolarHBondContact O-N 3.16Å |
| 724 | D | 84.2 | Confident | 87.3 | Confident | 55 Ų | 55 | 42.7 Ų | 42.7 | 29% | 0.294 | 23% | 0.231 | S | C | . | . | trans | -152.6 | 87.4 | 175.7 | -162 | -35.6 | 0 | 0 | 0 | 110.4 | P718 K721 D726 I727 C728 | P718-D724 HydrophobicContact CG-CB 4.05Å; K721-D724 CarbonylContact O-C 3.47Å; K721-D724 PolarHBondContact O-N 3.47Å; D724-D726 VanDerWaalsContact C-N 3.34Å; D724-D726 PolarHBondContact OD1-N 3.27Å; D724-I727 HydrophobicContact CB-CB 4.27Å; D724-I727 HydrophobicContact CB-CD1 4.24Å; D724-I727 HydrophobicContact CB-CG1 4.38Å; D724-I727 VanDerWaalsContact CG-CD1 3.49Å; D724-I727 VanDerWaalsContact CG-CG1 3.44Å; D724-I727 WeakPolarHBondContact OD1-CG1 3.35Å; D724-I727 PolarHBondContact OD1-N 3.24Å; D724-I727 WeakPolarHBondContact OD2-CD1 3.39Å; D724-I727 WeakPolarHBondContact OD2-CG1 3.44Å; D724-C728 PolarHBondContact O-N 3.17Å; D724-C728 PolarHBondContact O-SG 3.25Å | ||
| 725 | P | 86.8 | Confident | 87.6 | Confident | 9 Ų | 9 | 39.5 Ų | 39.5 | 6% | 0.058 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -72.8 | -27.7 | -177.1 | 30.4 | -36.1 | 0 | 0 | 0 | 112.5 | K721 C728 F729 L761 T764 Y765 L768 | K721-P725 WeakPolarHBondContact O-CA 3.49Å; P725-C728 WeakPolarHBondContact O-CB 3.42Å; P725-C728 PolarHBondContact O-N 3.01Å; P725-F729 PolarHBondContact O-N 3.11Å; P725-L761 HydrophobicContact CB-CD1 3.7Å; P725-T764 HydrophobicContact CB-CG2 4.39Å; P725-Y765 HydrophobicContact CB-CD1 4.2Å; P725-Y765 HydrophobicContact CB-CE1 3.65Å; P725-Y765 HydrophobicContact CB-CE2 4.27Å; P725-Y765 HydrophobicContact CG-CD1 4.13Å; P725-Y765 HydrophobicContact CG-CE1 3.62Å; P725-Y765 PolarHBondContact O-OH 2.77Å; P725-Y765 VanDerWaalsContact O-OH 3.07Å; P725-L768 HydrophobicContact CG-CD1 4.09Å |
| 726 | D | 90.7 | Very high | 88 | Confident | 79 Ų | 79 | 39.9 Ų | 39.9 | 42% | 0.422 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -70.1 | -41.2 | -179.2 | -68.3 | -44.7 | 0 | 0 | 0 | 110.7 | D724 C728 F729 K730 Y765 | D724-D726 VanDerWaalsContact C-N 3.34Å; D724-D726 PolarHBondContact OD1-N 3.27Å; D726-C728 VanDerWaalsContact C-N 3.35Å; D726-C728 PolarHBondContact O-N 3.33Å; D726-F729 PolarHBondContact O-N 2.92Å; D726-K730 PolarHBondContact O-N 3.26Å; D726-Y765 WeakPolarHBondContact CA-OH 3.46Å; D726-Y765 PolarHBondContact N-OH 2.91Å; D726-Y765 PolarHBondContact OD1-OH 2.93Å |
| 727 | I | 90.8 | Very high | 88.2 | Confident | 65 Ų | 65 | 44.1 Ų | 44.1 | 33% | 0.333 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -61 | -43.9 | 171.7 | -70.2 | -179.6 | 0 | 0 | 0 | 110.9 | T673 D724 F729 K730 L731 | T673-I727 VanDerWaalsContact O-CG2 3.27Å; T673-I727 WeakPolarHBondContact O-CG2 3.5Å; D724-I727 HydrophobicContact CB-CB 4.27Å; D724-I727 HydrophobicContact CB-CD1 4.24Å; D724-I727 HydrophobicContact CB-CG1 4.38Å; D724-I727 VanDerWaalsContact CG-CD1 3.49Å; D724-I727 VanDerWaalsContact CG-CG1 3.44Å; D724-I727 WeakPolarHBondContact OD1-CG1 3.35Å; D724-I727 PolarHBondContact OD1-N 3.24Å; D724-I727 WeakPolarHBondContact OD2-CD1 3.39Å; D724-I727 WeakPolarHBondContact OD2-CG1 3.44Å; I727-F729 VanDerWaalsContact C-N 3.31Å; I727-F729 PolarHBondContact O-N 3.07Å; I727-K730 PolarHBondContact O-N 3.05Å; I727-L731 HydrophobicContact CG2-CD1 3.98Å; I727-L731 HydrophobicContact CG2-CG 4.28Å; I727-L731 WeakPolarHBondContact O-CG 3.36Å; I727-L731 PolarHBondContact O-N 3.15Å |
| 728 | C | 92.1 | Very high | 88.5 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -55.8 | -47.6 | 176.6 | -63.8 | 0 | 0 | 0 | 0 | 111.2 | D724 P725 D726 K730 L731 F732 L761 | D724-C728 PolarHBondContact O-N 3.17Å; D724-C728 PolarHBondContact O-SG 3.25Å; P725-C728 WeakPolarHBondContact O-CB 3.42Å; P725-C728 PolarHBondContact O-N 3.01Å; D726-C728 VanDerWaalsContact C-N 3.35Å; D726-C728 PolarHBondContact O-N 3.33Å; C728-K730 VanDerWaalsContact C-N 3.35Å; C728-K730 PolarHBondContact O-N 3.19Å; C728-L731 PolarHBondContact O-N 3.42Å; C728-F732 HydrophobicContact CB-CE2 4.15Å; C728-F732 HydrophobicContact CB-CZ 4.24Å; C728-F732 WeakPolarHBondContact O-CD2 3.42Å; C728-F732 WeakPolarHBondContact O-CG 3.43Å; C728-F732 PolarHBondContact O-N 3.31Å; C728-L761 HydrophobicContact CB-CD1 3.95Å; C728-L761 HydrophobicContact CB-CD2 4.35Å |
| 729 | F | 94.5 | Very high | 89.1 | Confident | 41 Ų | 41 | 47.5 Ų | 47.5 | 18% | 0.18 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63.2 | -40.7 | 179.4 | -172.2 | -123.8 | 0 | 0 | 0 | 112.7 | P725 D726 I727 L731 F732 T733 L761 N781 V782 F785 | P725-F729 PolarHBondContact O-N 3.11Å; D726-F729 PolarHBondContact O-N 2.92Å; I727-F729 VanDerWaalsContact C-N 3.31Å; I727-F729 PolarHBondContact O-N 3.07Å; F729-L731 VanDerWaalsContact C-N 3.35Å; F729-L731 PolarHBondContact O-N 3.48Å; F729-F732 PolarHBondContact O-N 3.22Å; F729-T733 WeakPolarHBondContact O-CB 3.44Å; F729-T733 PolarHBondContact O-N 2.96Å; F729-T733 PolarHBondContact O-OG1 2.8Å; F729-L761 HydrophobicContact CB-CD2 3.71Å; F729-L761 HydrophobicContact CD2-CD2 4.2Å; F729-L761 HydrophobicContact CG-CD2 4.36Å; F729-N781 HydrophobicContact CE1-CB 4.09Å; F729-N781 HydrophobicContact CZ-CB 4.14Å; F729-V782 HydrophobicContact CD2-CG2 3.66Å; F729-V782 HydrophobicContact CE2-CB 4.23Å; F729-V782 HydrophobicContact CE2-CG2 3.76Å; F729-V782 HydrophobicContact CG-CG2 4.22Å; F729-V782 HydrophobicContact CZ-CG2 4.37Å; F729-F785 HydrophobicContact CE2-CB 3.69Å; F729-F785 HydrophobicContact CE2-CD1 4.48Å; F729-F785 HydrophobicContact CE2-CD2 4.21Å; F729-F785 AromaticContact CE2-CG 3.88Å; F729-F785 HydrophobicContact CE2-CG 3.88Å; F729-F785 HydrophobicContact CZ-CB 4.01Å |
| 730 | K | 94.4 | Very high | 89.9 | Confident | 119 Ų | 119 | 47.4 Ų | 47.4 | 52% | 0.517 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -61.6 | -43.7 | 176.7 | -163 | -178.9 | -165.8 | -168.5 | 0 | 111.6 | E675 D726 I727 C728 T733 K734 | E675-K730 HydrophobicContact CG-CD 4.47Å; E675-K730 VanDerWaalsContact OE1-CD 3.31Å; E675-K730 WeakPolarHBondContact OE1-CD 3.44Å; E675-K730 WeakPolarHBondContact OE1-CE 3.47Å; E675-K730 IonicContact OE1-NZ 2.86Å; E675-K730 PolarHBondContact OE1-NZ 3.45Å; D726-K730 PolarHBondContact O-N 3.26Å; I727-K730 PolarHBondContact O-N 3.05Å; C728-K730 VanDerWaalsContact C-N 3.35Å; C728-K730 PolarHBondContact O-N 3.19Å; K730-T733 PolarHBondContact O-N 3.23Å; K730-K734 WeakPolarHBondContact O-CB 3.49Å; K730-K734 PolarHBondContact O-N 3.45Å |
| 731 | L | 94.7 | Very high | 90.5 | Very high | 2 Ų | 2 | 51.7 Ų | 51.7 | 1% | 0.01 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -64 | -43.6 | 176.2 | -67.1 | 175.3 | 0 | 0 | 0 | 111.9 | E675 L678 I727 C728 F729 T733 K734 A735 | E675-L731 HydrophobicContact CG-CD2 4.22Å; L678-L731 HydrophobicContact CB-CD2 4.14Å; L678-L731 HydrophobicContact CD2-CB 4.41Å; L678-L731 HydrophobicContact CD2-CD2 4.02Å; L678-L731 WeakPolarHBondContact CD2-O 3.23Å; I727-L731 HydrophobicContact CG2-CD1 3.98Å; I727-L731 HydrophobicContact CG2-CG 4.28Å; I727-L731 WeakPolarHBondContact O-CG 3.36Å; I727-L731 PolarHBondContact O-N 3.15Å; C728-L731 PolarHBondContact O-N 3.42Å; F729-L731 VanDerWaalsContact C-N 3.35Å; F729-L731 PolarHBondContact O-N 3.48Å; L731-T733 PolarHBondContact O-N 3.17Å; L731-K734 PolarHBondContact O-N 3.49Å; L731-A735 WeakPolarHBondContact O-CB 3.47Å; L731-A735 PolarHBondContact O-N 3.04Å |
| 732 | F | 95.9 | Very high | 91 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -63.1 | -42.1 | 176.5 | -59.6 | -25.8 | 0 | 0 | 0 | 112.3 | L716 C728 F729 K734 A735 Q736 L754 Q757 L761 F785 | L716-F732 HydrophobicContact CB-CD1 4.35Å; L716-F732 HydrophobicContact CB-CE1 3.92Å; L716-F732 HydrophobicContact CD1-CD1 4.27Å; C728-F732 HydrophobicContact CB-CE2 4.15Å; C728-F732 HydrophobicContact CB-CZ 4.24Å; C728-F732 WeakPolarHBondContact O-CD2 3.42Å; C728-F732 WeakPolarHBondContact O-CG 3.43Å; C728-F732 PolarHBondContact O-N 3.31Å; F729-F732 PolarHBondContact O-N 3.22Å; F732-K734 VanDerWaalsContact C-N 3.35Å; F732-K734 PolarHBondContact O-N 3.29Å; F732-A735 PolarHBondContact O-N 3.33Å; F732-Q736 WeakPolarHBondContact O-CB 3.42Å; F732-Q736 PolarHBondContact O-N 2.95Å; F732-L754 HydrophobicContact CD1-CD2 4.47Å; F732-Q757 HydrophobicContact CE1-CB 4.09Å; F732-Q757 HydrophobicContact CE2-CB 4.12Å; F732-Q757 HydrophobicContact CZ-CB 3.75Å; F732-L761 HydrophobicContact CD2-CD2 4.35Å; F732-L761 HydrophobicContact CE2-CD2 4.19Å; F732-F785 HydrophobicContact CB-CE1 4.49Å; F732-F785 HydrophobicContact CB-CZ 4.04Å |
| 733 | T | 95.9 | Very high | 91.8 | Very high | 46 Ų | 46 | 50.5 Ų | 50.5 | 28% | 0.282 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -62.2 | -43.5 | 177.3 | -55.9 | 0 | 0 | 0 | 0 | 111.4 | F729 K730 L731 Q736 L737 | F729-T733 WeakPolarHBondContact O-CB 3.44Å; F729-T733 PolarHBondContact O-N 2.96Å; F729-T733 PolarHBondContact O-OG1 2.8Å; K730-T733 PolarHBondContact O-N 3.23Å; L731-T733 PolarHBondContact O-N 3.17Å; T733-Q736 WeakPolarHBondContact O-CB 3.45Å; T733-Q736 PolarHBondContact O-N 2.7Å; T733-L737 WeakPolarHBondContact O-CG 3.38Å; T733-L737 PolarHBondContact O-N 2.91Å; T733-L737 VanDerWaalsContact O-N 3.14Å |
| 734 | K | 95.1 | Very high | 92.4 | Very high | 42 Ų | 42 | 49.5 Ų | 49.5 | 18% | 0.183 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -67.4 | -41.5 | 177.3 | -169.2 | 170.8 | -175 | -177.3 | 0 | 112.1 | E675 L678 D679 K730 L731 F732 L737 R738 | E675-K734 HydrophobicContact CB-CD 4.46Å; E675-K734 HydrophobicContact CG-CD 4.1Å; E675-K734 IonicContact OE2-NZ 2.66Å; E675-K734 PolarHBondContact OE2-NZ 3.27Å; E675-K734 VanDerWaalsContact OE2-NZ 3.1Å; L678-K734 HydrophobicContact CD2-CB 3.92Å; L678-K734 HydrophobicContact CD2-CD 4.22Å; L678-K734 HydrophobicContact CD2-CG 4.1Å; D679-K734 WeakPolarHBondContact OD1-CE 3.31Å; D679-K734 IonicContact OD1-NZ 3.27Å; D679-K734 PolarHBondContact OD1-NZ 3.28Å; D679-K734 IonicContact OD2-NZ 2.8Å; D679-K734 PolarHBondContact OD2-NZ 3.49Å; K730-K734 WeakPolarHBondContact O-CB 3.49Å; K730-K734 PolarHBondContact O-N 3.45Å; L731-K734 PolarHBondContact O-N 3.49Å; F732-K734 VanDerWaalsContact C-N 3.35Å; F732-K734 PolarHBondContact O-N 3.29Å; K734-L737 PolarHBondContact O-N 2.89Å; K734-R738 WeakPolarHBondContact O-CG 3.4Å; K734-R738 PolarHBondContact O-N 3.31Å |
| 735 | A | 95.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -62.4 | -42.1 | 175 | 0 | 0 | 0 | 0 | 0 | 111.8 | L678 F682 L713 L716 L731 F732 L737 R738 L739 L754 | L678-A735 HydrophobicContact CD2-CB 4.27Å; F682-A735 HydrophobicContact CE2-CB 4.2Å; F682-A735 HydrophobicContact CZ-CB 4.18Å; L713-A735 HydrophobicContact CD2-CB 4.14Å; L716-A735 HydrophobicContact CD1-CB 4.12Å; L731-A735 WeakPolarHBondContact O-CB 3.47Å; L731-A735 PolarHBondContact O-N 3.04Å; F732-A735 PolarHBondContact O-N 3.33Å; A735-L737 PolarHBondContact O-N 3.44Å; A735-R738 PolarHBondContact O-N 2.89Å; A735-L739 WeakPolarHBondContact O-CB 3.44Å; A735-L739 VanDerWaalsContact O-CG 3.26Å; A735-L739 WeakPolarHBondContact O-CG 3.49Å; A735-L739 PolarHBondContact O-N 2.94Å; A735-L754 HydrophobicContact CB-CD2 4.3Å |
| 736 | Q | 95.8 | Very high | 92.8 | Very high | 13 Ų | 13 | 48 Ų | 48 | 6% | 0.061 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -55.5 | -52.8 | 174.3 | -175.8 | -144.6 | -32.7 | 0 | 0 | 110.9 | F732 T733 R738 L739 E740 F751 L754 F785 | F732-Q736 WeakPolarHBondContact O-CB 3.42Å; F732-Q736 PolarHBondContact O-N 2.95Å; T733-Q736 WeakPolarHBondContact O-CB 3.45Å; T733-Q736 PolarHBondContact O-N 2.7Å; Q736-R738 VanDerWaalsContact C-N 3.31Å; Q736-R738 PolarHBondContact O-N 3.24Å; Q736-L739 PolarHBondContact O-N 2.99Å; Q736-E740 PolarHBondContact NE2-OE2 3.33Å; Q736-E740 VanDerWaalsContact O-CB 3.25Å; Q736-E740 WeakPolarHBondContact O-CB 3.35Å; Q736-E740 PolarHBondContact O-N 3.45Å; Q736-F751 HydrophobicContact CG-CE2 4.02Å; Q736-F751 HydrophobicContact CG-CZ 3.88Å; Q736-L754 HydrophobicContact CB-CD1 4.05Å; Q736-F785 HydrophobicContact CB-CE2 3.7Å; Q736-F785 HydrophobicContact CB-CZ 4.03Å; Q736-F785 HydrophobicContact CG-CE2 4.07Å; Q736-F785 HydrophobicContact CG-CZ 4.43Å; Q736-F785 VanDerWaalsContact OE1-CD2 3.28Å |
| 737 | L | 94.7 | Very high | 93 | Very high | 89 Ų | 89 | 44.4 Ų | 44.4 | 47% | 0.466 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -59.1 | -40.9 | -177.9 | -70.1 | 171.6 | 0 | 0 | 0 | 112.5 | T733 K734 A735 Q741 | T733-L737 WeakPolarHBondContact O-CG 3.38Å; T733-L737 PolarHBondContact O-N 2.91Å; T733-L737 VanDerWaalsContact O-N 3.14Å; K734-L737 PolarHBondContact O-N 2.89Å; A735-L737 PolarHBondContact O-N 3.44Å; L737-Q741 WeakPolarHBondContact O-CG 3.49Å; L737-Q741 PolarHBondContact O-N 3.15Å |
| 738 | R | 92.3 | Very high | 93 | Very high | 84 Ų | 84 | 46.3 Ų | 46.3 | 32% | 0.317 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -70.1 | -42.4 | 179 | -66.6 | -64.8 | -69.8 | -104.4 | 2.4 | 112.4 | D679 F682 K734 A735 Q736 Q741 A742 | D679-R738 IonicContact OD1-NH1 3.16Å; F682-R738 HydrophobicContact CD1-CB 4.13Å; F682-R738 HydrophobicContact CD2-CB 4.22Å; F682-R738 HydrophobicContact CD2-CG 4.16Å; F682-R738 HydrophobicContact CE1-CB 3.9Å; F682-R738 HydrophobicContact CE2-CB 3.98Å; F682-R738 HydrophobicContact CE2-CG 4.22Å; F682-R738 HydrophobicContact CG-CB 4.3Å; F682-R738 HydrophobicContact CG-CG 4.44Å; F682-R738 HydrophobicContact CZ-CB 3.83Å; K734-R738 WeakPolarHBondContact O-CG 3.4Å; K734-R738 PolarHBondContact O-N 3.31Å; A735-R738 PolarHBondContact O-N 2.89Å; Q736-R738 VanDerWaalsContact C-N 3.31Å; Q736-R738 PolarHBondContact O-N 3.24Å; R738-Q741 PolarHBondContact O-N 3Å; R738-A742 PolarHBondContact O-N 2.95Å |
| 739 | L | 94.1 | Very high | 93 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -72 | -33 | 179.3 | -67.5 | 168.6 | 0 | 0 | 0 | 112.5 | F682 L689 I709 L713 A735 Q736 Q741 A742 I746 N750 F751 L754 | F682-L739 HydrophobicContact CE1-CD2 3.89Å; F682-L739 HydrophobicContact CE1-CG 4.06Å; F682-L739 HydrophobicContact CZ-CD2 4.34Å; F682-L739 HydrophobicContact CZ-CG 4.06Å; L689-L739 HydrophobicContact CD2-CD2 3.93Å; I709-L739 HydrophobicContact CG2-CD2 4.35Å; L713-L739 HydrophobicContact CD1-CD1 3.88Å; L713-L739 HydrophobicContact CD2-CD1 4.17Å; A735-L739 WeakPolarHBondContact O-CB 3.44Å; A735-L739 VanDerWaalsContact O-CG 3.26Å; A735-L739 WeakPolarHBondContact O-CG 3.49Å; A735-L739 PolarHBondContact O-N 2.94Å; Q736-L739 PolarHBondContact O-N 2.99Å; L739-Q741 VanDerWaalsContact C-N 3.35Å; L739-A742 PolarHBondContact O-N 2.98Å; L739-I746 HydrophobicContact CB-CG2 4.32Å; L739-I746 HydrophobicContact CD2-CG2 3.66Å; L739-N750 HydrophobicContact CD1-CB 3.95Å; L739-N750 HydrophobicContact CD2-CB 4.48Å; L739-F751 HydrophobicContact CB-CE1 3.86Å; L739-L754 HydrophobicContact CD1-CD1 4.24Å |
| 740 | E | 92.9 | Very high | 93 | Very high | 81 Ų | 81 | 48.1 Ų | 48.1 | 38% | 0.379 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -63.2 | -42.1 | 174 | -165.5 | 175 | 153.5 | 0 | 0 | 111.2 | Q736 A742 G743 F751 | Q736-E740 PolarHBondContact NE2-OE2 3.33Å; Q736-E740 VanDerWaalsContact O-CB 3.25Å; Q736-E740 WeakPolarHBondContact O-CB 3.35Å; Q736-E740 PolarHBondContact O-N 3.45Å; E740-A742 VanDerWaalsContact C-N 3.28Å; E740-A742 PolarHBondContact O-N 2.96Å; E740-G743 PolarHBondContact O-N 3.3Å; E740-F751 HydrophobicContact CB-CZ 4.07Å |
| 741 | Q | 90.6 | Very high | 93.1 | Very high | 154 Ų | 154 | 42.4 Ų | 42.4 | 72% | 0.72 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -67.4 | -25.4 | 177.5 | -72.4 | 169.6 | 5.8 | 0 | 0 | 113.5 | L737 R738 L739 G743 | L737-Q741 WeakPolarHBondContact O-CG 3.49Å; L737-Q741 PolarHBondContact O-N 3.15Å; R738-Q741 PolarHBondContact O-N 3Å; L739-Q741 VanDerWaalsContact C-N 3.35Å; Q741-G743 VanDerWaalsContact C-N 3.3Å; Q741-G743 PolarHBondContact O-N 3.22Å |
| 742 | A | 88.1 | Confident | 93.2 | Very high | 26 Ų | 26 | 43.6 Ų | 43.6 | 22% | 0.215 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -74.8 | -18 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | L689 R738 L739 E740 I746 | L689-A742 HydrophobicContact CB-CB 3.98Å; L689-A742 HydrophobicContact CD1-CB 4.49Å; R738-A742 PolarHBondContact O-N 2.95Å; L739-A742 PolarHBondContact O-N 2.98Å; E740-A742 VanDerWaalsContact C-N 3.28Å; E740-A742 PolarHBondContact O-N 2.96Å; A742-I746 HydrophobicContact CB-CB 4.19Å; A742-I746 HydrophobicContact CB-CG1 3.92Å; A742-I746 HydrophobicContact CB-CG2 4.15Å |
| 743 | G | 89.7 | Confident | 93.1 | Very high | 21 Ų | 21 | 44 Ų | 44 | 22% | 0.216 | 22% | 0.221 | C | C | . | . | trans | 117.8 | 170.5 | 169.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | E740 Q741 A745 I746 V747 | E740-G743 PolarHBondContact O-N 3.3Å; Q741-G743 VanDerWaalsContact C-N 3.3Å; Q741-G743 PolarHBondContact O-N 3.22Å; G743-A745 PolarHBondContact O-N 3.41Å; G743-I746 WeakPolarHBondContact O-CB 3.42Å; G743-I746 PolarHBondContact O-N 3.3Å; G743-V747 WeakPolarHBondContact O-CG2 3.48Å; G743-V747 PolarHBondContact O-N 3.5Å; G743-V747 VanDerWaalsContact O-N 3.16Å | ||
| 744 | H | 90.6 | Very high | 93.1 | Very high | 113 Ų | 113 | 41.8 Ų | 41.8 | 52% | 0.523 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -60.5 | -39.4 | -169 | -68.1 | -67.5 | 0 | 0 | 0 | 114 | I746 V747 R748 A795 A796 | H744-I746 VanDerWaalsContact C-N 3.33Å; H744-I746 PolarHBondContact O-N 3.43Å; H744-V747 WeakPolarHBondContact O-CB 3.38Å; H744-V747 PolarHBondContact O-N 3.49Å; H744-R748 WeakPolarHBondContact O-CG 3.5Å; H744-R748 PolarHBondContact O-N 3.32Å; H744-R748 VanDerWaalsContact O-N 3.1Å; H744-A795 PolarHBondContact CE1-O 3.23Å; H744-A795 PolarHBondContact ND1-O 2.81Å; H744-A796 HydrophobicContact CB-CB 3.83Å; H744-A796 WeakPolarHBondContact ND1-CA 3.46Å |
| 745 | A | 89.1 | Confident | 93.2 | Very high | 33 Ų | 33 | 39.8 Ų | 39.8 | 27% | 0.273 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -59.8 | -45.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | T691 F702 G743 V747 R748 F749 | T691-A745 HydrophobicContact CG2-CB 3.87Å; F702-A745 HydrophobicContact CE1-CB 4.46Å; F702-A745 HydrophobicContact CZ-CB 4.22Å; G743-A745 PolarHBondContact O-N 3.41Å; A745-V747 VanDerWaalsContact C-N 3.32Å; A745-V747 PolarHBondContact O-N 3.42Å; A745-R748 WeakPolarHBondContact O-CB 3.3Å; A745-R748 PolarHBondContact O-N 3.35Å; A745-F749 VanDerWaalsContact O-CD2 3.23Å; A745-F749 WeakPolarHBondContact O-CD2 2.97Å; A745-F749 PolarHBondContact O-N 3.37Å |
| 746 | I | 91.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -61.6 | -41.1 | 177.9 | -54.2 | -59.2 | 0 | 0 | 0 | 111.1 | L689 T691 F702 Q706 L739 A742 G743 H744 R748 F749 N750 | L689-I746 HydrophobicContact CD2-CD1 4.42Å; L689-I746 HydrophobicContact CD2-CG2 4Å; T691-I746 HydrophobicContact CG2-CD1 4.18Å; T691-I746 HydrophobicContact CG2-CG1 3.96Å; F702-I746 HydrophobicContact CE2-CD1 4.04Å; F702-I746 HydrophobicContact CZ-CD1 3.84Å; Q706-I746 VanDerWaalsContact OE1-CD1 3.32Å; L739-I746 HydrophobicContact CB-CG2 4.32Å; L739-I746 HydrophobicContact CD2-CG2 3.66Å; A742-I746 HydrophobicContact CB-CB 4.19Å; A742-I746 HydrophobicContact CB-CG1 3.92Å; A742-I746 HydrophobicContact CB-CG2 4.15Å; G743-I746 WeakPolarHBondContact O-CB 3.42Å; G743-I746 PolarHBondContact O-N 3.3Å; H744-I746 VanDerWaalsContact C-N 3.33Å; H744-I746 PolarHBondContact O-N 3.43Å; I746-R748 VanDerWaalsContact C-N 3.33Å; I746-R748 PolarHBondContact O-N 2.93Å; I746-F749 PolarHBondContact O-N 3.28Å; I746-N750 WeakPolarHBondContact CG2-ND2 3.34Å; I746-N750 WeakPolarHBondContact O-CB 3.47Å; I746-N750 PolarHBondContact O-N 2.86Å; I746-N750 VanDerWaalsContact O-N 3.11Å; I746-N750 PolarHBondContact O-ND2 3.48Å |
| 747 | V | 93.5 | Very high | 92.9 | Very high | 4 Ų | 4 | 43.7 Ų | 43.7 | 2% | 0.024 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -57.2 | -45.5 | 175.7 | 172.9 | 0 | 0 | 0 | 0 | 111.1 | G743 H744 A745 F749 N750 F751 C792 L793 A796 | G743-V747 WeakPolarHBondContact O-CG2 3.48Å; G743-V747 PolarHBondContact O-N 3.5Å; G743-V747 VanDerWaalsContact O-N 3.16Å; H744-V747 WeakPolarHBondContact O-CB 3.38Å; H744-V747 PolarHBondContact O-N 3.49Å; A745-V747 VanDerWaalsContact C-N 3.32Å; A745-V747 PolarHBondContact O-N 3.42Å; V747-F749 VanDerWaalsContact C-N 3.32Å; V747-F749 PolarHBondContact O-N 2.76Å; V747-N750 PolarHBondContact O-N 2.94Å; V747-F751 HydrophobicContact CB-CD1 4.18Å; V747-F751 HydrophobicContact CB-CE1 4.18Å; V747-F751 HydrophobicContact CG1-CB 4.44Å; V747-F751 HydrophobicContact CG1-CD1 3.93Å; V747-F751 HydrophobicContact CG1-CD2 3.83Å; V747-F751 HydrophobicContact CG1-CE1 4.1Å; V747-F751 HydrophobicContact CG1-CE2 4.02Å; V747-F751 HydrophobicContact CG1-CG 3.8Å; V747-F751 HydrophobicContact CG1-CZ 4.15Å; V747-F751 HydrophobicContact CG2-CD1 4.31Å; V747-F751 HydrophobicContact CG2-CE1 3.8Å; V747-F751 HydrophobicContact CG2-CZ 3.96Å; V747-F751 WeakPolarHBondContact O-CB 3.47Å; V747-F751 PolarHBondContact O-N 3.49Å; V747-F751 VanDerWaalsContact O-N 3.15Å; V747-C792 HydrophobicContact CG1-CB 4.06Å; V747-L793 HydrophobicContact CG1-CD2 4.19Å; V747-L793 HydrophobicContact CG1-CG 4.47Å; V747-L793 WeakPolarHBondContact O-CD2 3.33Å; V747-A796 HydrophobicContact CB-CB 4.26Å; V747-A796 HydrophobicContact CG1-CB 4.06Å |
| 748 | R | 92.4 | Very high | 92.8 | Very high | 105 Ų | 105 | 39.5 Ų | 39.5 | 40% | 0.396 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -56.5 | -42.5 | -178.9 | -63.8 | -179.2 | -177.9 | 178.1 | -2 | 113.1 | H744 A745 I746 A796 D797 A798 | H744-R748 WeakPolarHBondContact O-CG 3.5Å; H744-R748 PolarHBondContact O-N 3.32Å; H744-R748 VanDerWaalsContact O-N 3.1Å; A745-R748 WeakPolarHBondContact O-CB 3.3Å; A745-R748 PolarHBondContact O-N 3.35Å; I746-R748 VanDerWaalsContact C-N 3.33Å; I746-R748 PolarHBondContact O-N 2.93Å; R748-A796 HydrophobicContact CG-CB 4.08Å; R748-A796 PolarHBondContact NE-O 2.92Å; R748-A796 PolarHBondContact NH2-O 3.43Å; R748-D797 IonicContact NH2-OD2 3.57Å; R748-D797 PolarHBondContact NH2-OD2 3.36Å; R748-A798 HydrophobicContact CB-CB 4.47Å; R748-A798 HydrophobicContact CG-CB 3.97Å |
| 749 | F | 91.8 | Very high | 92.8 | Very high | 78 Ų | 78 | 35.7 Ų | 35.7 | 34% | 0.342 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -83.7 | -36.2 | -175.1 | -71.3 | -81.7 | 0 | 0 | 0 | 113.3 | F702 I703 Q706 A745 I746 V747 | F702-F749 HydrophobicContact CD1-CE2 4.37Å; F702-F749 HydrophobicContact CE1-CD2 4.1Å; F702-F749 AromaticContact CE1-CE2 3.76Å; F702-F749 HydrophobicContact CE1-CE2 3.76Å; I703-F749 HydrophobicContact CG1-CE1 4.15Å; I703-F749 HydrophobicContact CG1-CZ 4.06Å; I703-F749 HydrophobicContact CG2-CE1 4.37Å; Q706-F749 HydrophobicContact CB-CB 3.69Å; Q706-F749 HydrophobicContact CB-CD1 4.19Å; Q706-F749 HydrophobicContact CB-CD2 4.22Å; Q706-F749 HydrophobicContact CB-CG 3.78Å; Q706-F749 HydrophobicContact CG-CB 4.17Å; Q706-F749 HydrophobicContact CG-CD2 3.99Å; Q706-F749 HydrophobicContact CG-CG 4.08Å; A745-F749 VanDerWaalsContact O-CD2 3.23Å; A745-F749 WeakPolarHBondContact O-CD2 2.97Å; A745-F749 PolarHBondContact O-N 3.37Å; I746-F749 PolarHBondContact O-N 3.28Å; V747-F749 VanDerWaalsContact C-N 3.32Å; V747-F749 PolarHBondContact O-N 2.76Å |
| 750 | N | 94.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -100 | -28.7 | -166.1 | -66.6 | -75.3 | 0 | 0 | 0 | 114.4 | Q706 I709 A710 L713 L739 I746 V747 P752 A753 L754 | Q706-N750 PolarHBondContact O-OD1 3.17Å; Q706-N750 PolarHBondContact OE1-ND2 3.34Å; I709-N750 WeakPolarHBondContact CB-OD1 3.38Å; I709-N750 VanDerWaalsContact CG2-OD1 3.25Å; I709-N750 WeakPolarHBondContact CG2-OD1 3.44Å; A710-N750 PolarHBondContact N-OD1 3.45Å; A710-N750 VanDerWaalsContact N-OD1 3.15Å; L713-N750 HydrophobicContact CD1-CB 3.95Å; L739-N750 HydrophobicContact CD1-CB 3.95Å; L739-N750 HydrophobicContact CD2-CB 4.48Å; I746-N750 WeakPolarHBondContact CG2-ND2 3.34Å; I746-N750 WeakPolarHBondContact O-CB 3.47Å; I746-N750 PolarHBondContact O-N 2.86Å; I746-N750 VanDerWaalsContact O-N 3.11Å; I746-N750 PolarHBondContact O-ND2 3.48Å; V747-N750 PolarHBondContact O-N 2.94Å; N750-P752 VanDerWaalsContact C-CD 3.49Å; N750-A753 WeakPolarHBondContact O-CB 3.18Å; N750-A753 PolarHBondContact O-N 2.92Å; N750-L754 PolarHBondContact O-N 2.9Å |
| 751 | F | 96.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -66.7 | -33.5 | -175.6 | -83.2 | 41.4 | 0 | 0 | 0 | 114.5 | Q736 L739 E740 V747 A753 L754 V755 C789 C792 L793 | Q736-F751 HydrophobicContact CG-CE2 4.02Å; Q736-F751 HydrophobicContact CG-CZ 3.88Å; L739-F751 HydrophobicContact CB-CE1 3.86Å; E740-F751 HydrophobicContact CB-CZ 4.07Å; V747-F751 HydrophobicContact CB-CD1 4.18Å; V747-F751 HydrophobicContact CB-CE1 4.18Å; V747-F751 HydrophobicContact CG1-CB 4.44Å; V747-F751 HydrophobicContact CG1-CD1 3.93Å; V747-F751 HydrophobicContact CG1-CD2 3.83Å; V747-F751 HydrophobicContact CG1-CE1 4.1Å; V747-F751 HydrophobicContact CG1-CE2 4.02Å; V747-F751 HydrophobicContact CG1-CG 3.8Å; V747-F751 HydrophobicContact CG1-CZ 4.15Å; V747-F751 HydrophobicContact CG2-CD1 4.31Å; V747-F751 HydrophobicContact CG2-CE1 3.8Å; V747-F751 HydrophobicContact CG2-CZ 3.96Å; V747-F751 WeakPolarHBondContact O-CB 3.47Å; V747-F751 PolarHBondContact O-N 3.49Å; V747-F751 VanDerWaalsContact O-N 3.15Å; F751-A753 PolarHBondContact O-N 3.13Å; F751-L754 HydrophobicContact CD1-CD1 4.35Å; F751-L754 PolarHBondContact O-N 3.29Å; F751-L754 VanDerWaalsContact O-N 3.15Å; F751-V755 WeakPolarHBondContact O-CG2 3.47Å; F751-V755 PolarHBondContact O-N 2.93Å; F751-C789 HydrophobicContact CD2-CB 3.83Å; F751-C789 WeakPolarHBondContact CD2-O 3.29Å; F751-C789 HydrophobicContact CE2-CB 4.4Å; F751-C792 HydrophobicContact CD2-CB 3.91Å; F751-C792 HydrophobicContact CE2-CB 3.46Å; F751-C792 VanDerWaalsContact CE2-CB 3.46Å; F751-C792 HydrophobicContact CZ-CB 4.37Å; F751-L793 HydrophobicContact CB-CD1 4.11Å; F751-L793 HydrophobicContact CB-CD2 4.03Å; F751-L793 HydrophobicContact CB-CG 3.94Å |
| 752 | P | 96 | Very high | 92.4 | Very high | 27 Ų | 27 | 27.3 Ų | 27.3 | 18% | 0.175 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -54.8 | -41.9 | 172.4 | -27.7 | 36.7 | 0 | 0 | 0 | 112.4 | N750 L754 V755 F756 L793 L805 | N750-P752 VanDerWaalsContact C-CD 3.49Å; P752-L754 PolarHBondContact O-N 2.8Å; P752-V755 PolarHBondContact O-N 2.74Å; P752-F756 HydrophobicContact CB-CE2 4.41Å; P752-F756 WeakPolarHBondContact O-CD2 3.47Å; P752-F756 PolarHBondContact O-N 3.41Å; P752-L793 HydrophobicContact CG-CD1 4.44Å; P752-L805 HydrophobicContact CB-CD1 4.2Å; P752-L805 HydrophobicContact CG-CD1 4.25Å |
| 753 | A | 94.7 | Very high | 92.3 | Very high | 8 Ų | 8 | 28 Ų | 28 | 7% | 0.066 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -61.7 | -44.4 | 177 | 0 | 0 | 0 | 0 | 0 | 111.8 | A710 L713 N750 F751 V755 F756 Q757 | A710-A753 HydrophobicContact CB-CB 4.29Å; L713-A753 HydrophobicContact CB-CB 4.31Å; L713-A753 HydrophobicContact CD1-CB 4.25Å; N750-A753 WeakPolarHBondContact O-CB 3.18Å; N750-A753 PolarHBondContact O-N 2.92Å; F751-A753 PolarHBondContact O-N 3.13Å; A753-V755 PolarHBondContact O-N 2.91Å; A753-F756 PolarHBondContact O-N 2.87Å; A753-Q757 WeakPolarHBondContact O-CB 3.04Å; A753-Q757 VanDerWaalsContact O-CG 3.3Å; A753-Q757 WeakPolarHBondContact O-CG 3.25Å; A753-Q757 PolarHBondContact O-N 3.2Å |
| 754 | L | 95.5 | Very high | 92.1 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -60 | -43.3 | 175 | -69.3 | 179.2 | 0 | 0 | 0 | 112.4 | L713 F732 A735 Q736 L739 N750 F751 P752 Q757 S758 F785 | L713-L754 HydrophobicContact CB-CD2 4.45Å; L713-L754 HydrophobicContact CD1-CD2 4.06Å; L713-L754 HydrophobicContact CD1-CG 4.01Å; L713-L754 HydrophobicContact CD2-CD2 4.1Å; L713-L754 HydrophobicContact CG-CD2 4.43Å; F732-L754 HydrophobicContact CD1-CD2 4.47Å; A735-L754 HydrophobicContact CB-CD2 4.3Å; Q736-L754 HydrophobicContact CB-CD1 4.05Å; L739-L754 HydrophobicContact CD1-CD1 4.24Å; N750-L754 PolarHBondContact O-N 2.9Å; F751-L754 HydrophobicContact CD1-CD1 4.35Å; F751-L754 PolarHBondContact O-N 3.29Å; F751-L754 VanDerWaalsContact O-N 3.15Å; P752-L754 PolarHBondContact O-N 2.8Å; L754-Q757 PolarHBondContact O-N 3.42Å; L754-S758 VanDerWaalsContact O-CB 3.25Å; L754-S758 WeakPolarHBondContact O-CB 3.35Å; L754-S758 PolarHBondContact O-N 3.34Å; L754-S758 PolarHBondContact O-OG 2.93Å; L754-F785 HydrophobicContact CB-CE1 4.39Å; L754-F785 HydrophobicContact CB-CZ 4.37Å; L754-F785 HydrophobicContact CD1-CZ 4.46Å |
| 755 | V | 96 | Very high | 92 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -62.4 | -50.2 | 178.5 | 174.2 | 0 | 0 | 0 | 0 | 110 | F751 P752 A753 Q757 S758 L759 C789 L805 | F751-V755 WeakPolarHBondContact O-CG2 3.47Å; F751-V755 PolarHBondContact O-N 2.93Å; P752-V755 PolarHBondContact O-N 2.74Å; A753-V755 PolarHBondContact O-N 2.91Å; V755-Q757 VanDerWaalsContact C-N 3.33Å; V755-Q757 PolarHBondContact O-N 3.07Å; V755-S758 PolarHBondContact O-N 2.97Å; V755-S758 VanDerWaalsContact O-N 3.14Å; V755-L759 HydrophobicContact CG1-CD1 3.96Å; V755-L759 HydrophobicContact CG1-CG 4.2Å; V755-L759 VanDerWaalsContact O-CG 3.3Å; V755-L759 WeakPolarHBondContact O-CG 3.39Å; V755-L759 PolarHBondContact O-N 3.37Å; V755-C789 HydrophobicContact CG2-CB 3.58Å; V755-L805 HydrophobicContact CB-CD2 4.39Å; V755-L805 HydrophobicContact CG1-CD2 4.03Å; V755-L805 HydrophobicContact CG2-CD1 4.43Å |
| 756 | F | 93.9 | Very high | 91.8 | Very high | 85 Ų | 85 | 22.9 Ų | 22.9 | 37% | 0.373 | 10% | 0.104 | S | C | . | . | H | α-helix | trans | -60.5 | -42 | 177.9 | -72.5 | -60.5 | 0 | 0 | 0 | 112.6 | P752 A753 S758 L759 Q760 L805 Y808 | P752-F756 HydrophobicContact CB-CE2 4.41Å; P752-F756 WeakPolarHBondContact O-CD2 3.47Å; P752-F756 PolarHBondContact O-N 3.41Å; A753-F756 PolarHBondContact O-N 2.87Å; F756-S758 VanDerWaalsContact C-N 3.29Å; F756-S758 PolarHBondContact O-N 3.38Å; F756-L759 PolarHBondContact O-N 3.06Å; F756-Q760 WeakPolarHBondContact O-CG 3.44Å; F756-Q760 PolarHBondContact O-N 3.37Å; F756-L805 HydrophobicContact CE1-CD2 4.31Å; F756-L805 HydrophobicContact CE2-CD2 4.05Å; F756-L805 HydrophobicContact CZ-CD2 3.83Å; F756-Y808 HydrophobicContact CD1-CD1 4.25Å; F756-Y808 AromaticContact CD1-CE1 3.83Å; F756-Y808 HydrophobicContact CD1-CE1 3.83Å; F756-Y808 AromaticContact CE1-CD1 3.73Å; F756-Y808 HydrophobicContact CE1-CD1 3.73Å; F756-Y808 AromaticContact CE1-CE1 3.58Å; F756-Y808 HydrophobicContact CE1-CE1 3.58Å |
| 757 | Q | 91.4 | Very high | 91.4 | Very high | 10 Ų | 10 | 26.7 Ų | 26.7 | 5% | 0.047 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -64.9 | -34.3 | 176.9 | -72 | -53.7 | -67.1 | 0 | 0 | 112.9 | H714 K721 F732 A753 L754 V755 L761 | H714-Q757 VanDerWaalsContact ND1-CD 3.34Å; H714-Q757 PolarHBondContact ND1-NE2 3.2Å; K721-Q757 VanDerWaalsContact CE-OE1 3.3Å; K721-Q757 PolarHBondContact NZ-O 2.97Å; F732-Q757 HydrophobicContact CE1-CB 4.09Å; F732-Q757 HydrophobicContact CE2-CB 4.12Å; F732-Q757 HydrophobicContact CZ-CB 3.75Å; A753-Q757 WeakPolarHBondContact O-CB 3.04Å; A753-Q757 VanDerWaalsContact O-CG 3.3Å; A753-Q757 WeakPolarHBondContact O-CG 3.25Å; A753-Q757 PolarHBondContact O-N 3.2Å; L754-Q757 PolarHBondContact O-N 3.42Å; V755-Q757 VanDerWaalsContact C-N 3.33Å; V755-Q757 PolarHBondContact O-N 3.07Å; Q757-L761 PolarHBondContact O-N 2.96Å |
| 758 | S | 93.4 | Very high | 90.9 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -75.2 | -39.8 | 177.8 | -60.4 | 0 | 0 | 0 | 0 | 112.1 | L754 V755 F756 Q760 L761 I762 V782 F785 | L754-S758 VanDerWaalsContact O-CB 3.25Å; L754-S758 WeakPolarHBondContact O-CB 3.35Å; L754-S758 PolarHBondContact O-N 3.34Å; L754-S758 PolarHBondContact O-OG 2.93Å; V755-S758 PolarHBondContact O-N 2.97Å; V755-S758 VanDerWaalsContact O-N 3.14Å; F756-S758 VanDerWaalsContact C-N 3.29Å; F756-S758 PolarHBondContact O-N 3.38Å; S758-Q760 VanDerWaalsContact C-N 3.29Å; S758-Q760 PolarHBondContact O-N 3.26Å; S758-L761 WeakPolarHBondContact O-CA 3.3Å; S758-L761 WeakPolarHBondContact O-CB 3.43Å; S758-L761 PolarHBondContact O-N 3.45Å; S758-I762 WeakPolarHBondContact O-CG1 3.39Å; S758-I762 PolarHBondContact O-N 2.87Å; S758-I762 VanDerWaalsContact O-N 3.07Å; S758-V782 WeakPolarHBondContact O-CG1 3.41Å; S758-F785 WeakPolarHBondContact OG-CD1 3.47Å; S758-F785 WeakPolarHBondContact OG-CE1 3.34Å |
| 759 | L | 92.2 | Very high | 90.5 | Very high | 5 Ų | 5 | 27.5 Ų | 27.5 | 3% | 0.026 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -59.9 | -38.7 | 174.9 | -70.7 | 176.9 | 0 | 0 | 0 | 112.2 | V755 F756 L761 I762 Y808 V812 | V755-L759 HydrophobicContact CG1-CD1 3.96Å; V755-L759 HydrophobicContact CG1-CG 4.2Å; V755-L759 VanDerWaalsContact O-CG 3.3Å; V755-L759 WeakPolarHBondContact O-CG 3.39Å; V755-L759 PolarHBondContact O-N 3.37Å; F756-L759 PolarHBondContact O-N 3.06Å; L759-L761 VanDerWaalsContact C-N 3.27Å; L759-L761 PolarHBondContact O-N 3.23Å; L759-I762 HydrophobicContact CD2-CD1 3.82Å; L759-I762 WeakPolarHBondContact O-CB 3.02Å; L759-I762 PolarHBondContact O-N 2.68Å; L759-Y808 HydrophobicContact CD1-CD1 3.54Å; L759-Y808 HydrophobicContact CD1-CE1 3.67Å; L759-V812 HydrophobicContact CB-CG1 4.3Å; L759-V812 HydrophobicContact CD1-CG2 4.32Å; L759-V812 HydrophobicContact CD2-CB 4.26Å; L759-V812 HydrophobicContact CD2-CG1 4.3Å |
| 760 | Q | 89.3 | Confident | 90 | Very high | 58 Ų | 58 | 30.4 Ų | 30.4 | 27% | 0.271 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -63.2 | -34.2 | 171.3 | -70.3 | 175.7 | -7.2 | 0 | 0 | 112.4 | F756 S758 I762 Q763 T764 | F756-Q760 WeakPolarHBondContact O-CG 3.44Å; F756-Q760 PolarHBondContact O-N 3.37Å; S758-Q760 VanDerWaalsContact C-N 3.29Å; S758-Q760 PolarHBondContact O-N 3.26Å; Q760-I762 VanDerWaalsContact C-N 3.35Å; Q760-Q763 PolarHBondContact O-N 3.32Å; Q760-T764 PolarHBondContact O-N 3.48Å; Q760-T764 VanDerWaalsContact O-N 3.13Å; Q760-T764 PolarHBondContact O-OG1 3.47Å |
| 761 | L | 89.2 | Confident | 89.4 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -68.2 | -35 | 178.2 | -165.6 | 68.2 | 0 | 0 | 0 | 111.8 | K721 P725 C728 F729 F732 Q757 S758 L759 Q763 T764 Y765 V782 | K721-L761 HydrophobicContact CB-CD1 4.36Å; K721-L761 HydrophobicContact CD-CD1 4.43Å; P725-L761 HydrophobicContact CB-CD1 3.7Å; C728-L761 HydrophobicContact CB-CD1 3.95Å; C728-L761 HydrophobicContact CB-CD2 4.35Å; F729-L761 HydrophobicContact CB-CD2 3.71Å; F729-L761 HydrophobicContact CD2-CD2 4.2Å; F729-L761 HydrophobicContact CG-CD2 4.36Å; F732-L761 HydrophobicContact CD2-CD2 4.35Å; F732-L761 HydrophobicContact CE2-CD2 4.19Å; Q757-L761 PolarHBondContact O-N 2.96Å; S758-L761 WeakPolarHBondContact O-CA 3.3Å; S758-L761 WeakPolarHBondContact O-CB 3.43Å; S758-L761 PolarHBondContact O-N 3.45Å; L759-L761 VanDerWaalsContact C-N 3.27Å; L759-L761 PolarHBondContact O-N 3.23Å; L761-Q763 VanDerWaalsContact C-N 3.29Å; L761-Q763 PolarHBondContact O-N 3.44Å; L761-T764 WeakPolarHBondContact O-CB 3.36Å; L761-T764 PolarHBondContact O-N 2.91Å; L761-T764 VanDerWaalsContact O-N 3.13Å; L761-Y765 HydrophobicContact CD1-CE2 4.29Å; L761-Y765 HydrophobicContact CD2-CE2 3.74Å; L761-Y765 HydrophobicContact CG-CD2 3.99Å; L761-Y765 HydrophobicContact CG-CE2 3.57Å; L761-Y765 VanDerWaalsContact O-CD2 3.24Å; L761-Y765 WeakPolarHBondContact O-CD2 3.31Å; L761-Y765 PolarHBondContact O-N 3.43Å; L761-V782 HydrophobicContact CD2-CG2 4.11Å |
| 762 | I | 89.5 | Confident | 88.6 | Confident | 1 Ų | 1 | 40.8 Ų | 40.8 | 1% | 0.005 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -57.6 | -45.1 | 174 | -51.5 | 178.9 | 0 | 0 | 0 | 110.4 | S758 L759 Q760 T764 Y765 Y766 V779 V782 V783 I813 I816 | S758-I762 WeakPolarHBondContact O-CG1 3.39Å; S758-I762 PolarHBondContact O-N 2.87Å; S758-I762 VanDerWaalsContact O-N 3.07Å; L759-I762 HydrophobicContact CD2-CD1 3.82Å; L759-I762 WeakPolarHBondContact O-CB 3.02Å; L759-I762 PolarHBondContact O-N 2.68Å; Q760-I762 VanDerWaalsContact C-N 3.35Å; I762-T764 VanDerWaalsContact C-N 3.33Å; I762-T764 PolarHBondContact O-N 2.85Å; I762-Y765 PolarHBondContact O-N 2.96Å; I762-Y766 PolarHBondContact O-N 3.11Å; I762-Y766 VanDerWaalsContact O-N 3.13Å; I762-V779 HydrophobicContact CG2-CB 4.36Å; I762-V779 HydrophobicContact CG2-CG1 3.77Å; I762-V779 HydrophobicContact CG2-CG2 4.01Å; I762-V782 HydrophobicContact CD1-CG1 4.11Å; I762-V782 HydrophobicContact CG1-CB 3.98Å; I762-V782 HydrophobicContact CG1-CG1 3.43Å; I762-V782 VanDerWaalsContact CG1-CG1 3.43Å; I762-V783 HydrophobicContact CD1-CG2 3.73Å; I762-I813 HydrophobicContact CD1-CG1 4.3Å; I762-I816 HydrophobicContact CB-CD1 4.02Å; I762-I816 HydrophobicContact CG2-CD1 3.35Å |
| 763 | Q | 86.1 | Confident | 87.8 | Confident | 39 Ų | 39 | 44.6 Ų | 44.6 | 18% | 0.182 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62.8 | -41.4 | 176.8 | -65.3 | 176.4 | -20.2 | 0 | 0 | 111.5 | Q760 L761 Y765 Y766 E767 V812 I816 | Q760-Q763 PolarHBondContact O-N 3.32Å; L761-Q763 VanDerWaalsContact C-N 3.29Å; L761-Q763 PolarHBondContact O-N 3.44Å; Q763-Y765 PolarHBondContact O-N 3.38Å; Q763-Y766 PolarHBondContact O-N 3.38Å; Q763-E767 WeakPolarHBondContact O-CG 3.42Å; Q763-E767 PolarHBondContact O-N 3.13Å; Q763-V812 HydrophobicContact CG-CG1 4.47Å; Q763-I816 HydrophobicContact CG-CD1 4.12Å |
| 764 | T | 86.4 | Confident | 87.4 | Confident | 15 Ų | 15 | 48.5 Ų | 48.5 | 9% | 0.092 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -61.6 | -44.3 | 178.1 | -54.8 | 0 | 0 | 0 | 0 | 111.8 | K721 P725 Q760 L761 I762 Y766 E767 L768 | K721-T764 HydrophobicContact CB-CG2 4.27Å; P725-T764 HydrophobicContact CB-CG2 4.39Å; Q760-T764 PolarHBondContact O-N 3.48Å; Q760-T764 VanDerWaalsContact O-N 3.13Å; Q760-T764 PolarHBondContact O-OG1 3.47Å; L761-T764 WeakPolarHBondContact O-CB 3.36Å; L761-T764 PolarHBondContact O-N 2.91Å; L761-T764 VanDerWaalsContact O-N 3.13Å; I762-T764 VanDerWaalsContact C-N 3.33Å; I762-T764 PolarHBondContact O-N 2.85Å; T764-Y766 VanDerWaalsContact C-N 3.32Å; T764-Y766 PolarHBondContact O-N 3.43Å; T764-E767 PolarHBondContact O-N 2.8Å; T764-L768 HydrophobicContact CG2-CD1 4.1Å; T764-L768 WeakPolarHBondContact O-CG 3.11Å; T764-L768 PolarHBondContact O-N 3.18Å; T764-L768 VanDerWaalsContact O-N 3.1Å |
| 765 | Y | 88.4 | Confident | 87.1 | Confident | 2 Ų | 2 | 50 Ų | 50 | 1% | 0.008 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -62.2 | -39 | 175.3 | -78 | -63.9 | 0 | 0 | 0 | 112.5 | P725 D726 L761 I762 Q763 L768 R769 V782 | P725-Y765 HydrophobicContact CB-CD1 4.2Å; P725-Y765 HydrophobicContact CB-CE1 3.65Å; P725-Y765 HydrophobicContact CB-CE2 4.27Å; P725-Y765 HydrophobicContact CG-CD1 4.13Å; P725-Y765 HydrophobicContact CG-CE1 3.62Å; P725-Y765 PolarHBondContact O-OH 2.77Å; P725-Y765 VanDerWaalsContact O-OH 3.07Å; D726-Y765 WeakPolarHBondContact CA-OH 3.46Å; D726-Y765 PolarHBondContact N-OH 2.91Å; D726-Y765 PolarHBondContact OD1-OH 2.93Å; L761-Y765 HydrophobicContact CD1-CE2 4.29Å; L761-Y765 HydrophobicContact CD2-CE2 3.74Å; L761-Y765 HydrophobicContact CG-CD2 3.99Å; L761-Y765 HydrophobicContact CG-CE2 3.57Å; L761-Y765 VanDerWaalsContact O-CD2 3.24Å; L761-Y765 WeakPolarHBondContact O-CD2 3.31Å; L761-Y765 PolarHBondContact O-N 3.43Å; I762-Y765 PolarHBondContact O-N 2.96Å; Q763-Y765 PolarHBondContact O-N 3.38Å; Y765-L768 CarbonylContact O-C 3.29Å; Y765-L768 PolarHBondContact O-N 2.82Å; Y765-R769 PolarHBondContact O-N 3.49Å; Y765-R769 VanDerWaalsContact O-N 3.13Å; Y765-V782 HydrophobicContact CD2-CG2 4.19Å; Y765-V782 HydrophobicContact CE2-CG2 3.77Å |
| 766 | Y | 85.1 | Confident | 86.8 | Confident | 43 Ų | 43 | 53.1 Ų | 53.1 | 17% | 0.169 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -66.7 | -37.3 | 177.9 | -179 | -109.7 | 0 | 0 | 0 | 113 | I762 Q763 T764 L768 R769 W775 I816 L931 | I762-Y766 PolarHBondContact O-N 3.11Å; I762-Y766 VanDerWaalsContact O-N 3.13Å; Q763-Y766 PolarHBondContact O-N 3.38Å; T764-Y766 VanDerWaalsContact C-N 3.32Å; T764-Y766 PolarHBondContact O-N 3.43Å; Y766-L768 VanDerWaalsContact C-N 3.3Å; Y766-R769 WeakPolarHBondContact O-CB 3.49Å; Y766-R769 WeakPolarHBondContact O-CD 3.31Å; Y766-R769 VanDerWaalsContact O-CG 3.23Å; Y766-R769 WeakPolarHBondContact O-CG 3.5Å; Y766-R769 PolarHBondContact O-N 2.88Å; Y766-R769 PolarHBondContact O-NH1 3.35Å; Y766-W775 AromaticContact CD2-CH2 3.95Å; Y766-W775 HydrophobicContact CD2-CH2 3.95Å; Y766-W775 AromaticContact CD2-CZ3 3.77Å; Y766-W775 HydrophobicContact CD2-CZ3 3.77Å; Y766-W775 HydrophobicContact CE2-CH2 4.29Å; Y766-I816 HydrophobicContact CD2-CG2 3.63Å; Y766-I816 HydrophobicContact CE2-CG2 4.29Å; Y766-I816 HydrophobicContact CG-CG1 4.3Å; Y766-I816 HydrophobicContact CG-CG2 3.88Å; Y766-L931 HydrophobicContact CE1-CD2 4.24Å |
| 767 | E | 83.8 | Confident | 86.6 | Confident | 80 Ų | 80 | 54.7 Ų | 54.7 | 37% | 0.374 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -64.9 | -36.5 | 173.2 | -71.2 | 179.9 | 168.1 | 0 | 0 | 111.6 | Q763 T764 R769 | Q763-E767 WeakPolarHBondContact O-CG 3.42Å; Q763-E767 PolarHBondContact O-N 3.13Å; T764-E767 PolarHBondContact O-N 2.8Å; E767-R769 VanDerWaalsContact C-N 3.33Å; E767-R769 PolarHBondContact O-N 3.32Å |
| 768 | L | 83.5 | Confident | 86.6 | Confident | 27 Ų | 27 | 55.1 Ų | 55.1 | 14% | 0.141 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | 8.5 | 179.1 | -64.8 | 173.4 | 0 | 0 | 0 | 114.6 | P725 T764 Y765 Y766 N770 Q771 N772 | P725-L768 HydrophobicContact CG-CD1 4.09Å; T764-L768 HydrophobicContact CG2-CD1 4.1Å; T764-L768 WeakPolarHBondContact O-CG 3.11Å; T764-L768 PolarHBondContact O-N 3.18Å; T764-L768 VanDerWaalsContact O-N 3.1Å; Y765-L768 CarbonylContact O-C 3.29Å; Y765-L768 PolarHBondContact O-N 2.82Å; Y766-L768 VanDerWaalsContact C-N 3.3Å; L768-N770 PolarHBondContact O-N 2.85Å; L768-Q771 PolarHBondContact O-N 3.42Å; L768-N772 PolarHBondContact O-N 3.33Å |
| 769 | R | 83.9 | Confident | 86.6 | Confident | 99 Ų | 99 | 55.1 Ų | 55.1 | 37% | 0.374 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54 | -29.8 | -175.9 | 69.9 | -173.2 | -179.4 | -75.4 | -0.3 | 115.1 | Y765 Y766 E767 Q771 W775 | Y765-R769 PolarHBondContact O-N 3.49Å; Y765-R769 VanDerWaalsContact O-N 3.13Å; Y766-R769 WeakPolarHBondContact O-CB 3.49Å; Y766-R769 WeakPolarHBondContact O-CD 3.31Å; Y766-R769 VanDerWaalsContact O-CG 3.23Å; Y766-R769 WeakPolarHBondContact O-CG 3.5Å; Y766-R769 PolarHBondContact O-N 2.88Å; Y766-R769 PolarHBondContact O-NH1 3.35Å; E767-R769 VanDerWaalsContact C-N 3.33Å; E767-R769 PolarHBondContact O-N 3.32Å; R769-Q771 VanDerWaalsContact C-N 3.31Å; R769-W775 HydrophobicContact CB-CD2 3.69Å; R769-W775 HydrophobicContact CB-CE3 4.36Å; R769-W775 HydrophobicContact CB-CG 3.75Å; R769-W775 HydrophobicContact CB-CZ2 4.36Å |
| 770 | N | 81.2 | Confident | 86.7 | Confident | 140 Ų | 140 | 55.2 Ų | 55.2 | 75% | 0.749 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.2 | -20.6 | 179.7 | -64.2 | -24.2 | 0 | 0 | 0 | 112.7 | L768 | L768-N770 PolarHBondContact O-N 2.85Š|
| 771 | Q | 82.3 | Confident | 86.9 | Confident | 164 Ų | 164 | 55 Ų | 55 | 77% | 0.766 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97 | -29.6 | -176.5 | -61.1 | 178.6 | 14.9 | 0 | 0 | 111.9 | L768 R769 | L768-Q771 PolarHBondContact O-N 3.42Å; R769-Q771 VanDerWaalsContact C-N 3.31Å |
| 772 | N | 78.5 | Confident | 87.2 | Confident | 53 Ų | 53 | 55 Ų | 55 | 28% | 0.283 | 28% | 0.277 | S | S | . | . | trans | -119.3 | 107.5 | -172.9 | -148.4 | -11.6 | 0 | 0 | 0 | 110.2 | L768 N774 W775 | L768-N772 PolarHBondContact O-N 3.33Å; N772-N774 PolarHBondContact O-N 3.32Å; N772-N774 VanDerWaalsContact O-N 3.16Å; N772-W775 WeakPolarHBondContact O-CB 3.4Å; N772-W775 VanDerWaalsContact O-CD1 3.25Å; N772-W775 PolarHBondContact O-N 3.33Å | ||
| 773 | S | 79.1 | Confident | 87.4 | Confident | 108 Ų | 108 | 55 Ų | 55 | 76% | 0.755 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -27 | -176.9 | 56.3 | 0 | 0 | 0 | 0 | 113.2 | ||
| 774 | N | 86.7 | Confident | 87.9 | Confident | 90 Ų | 90 | 59.7 Ų | 59.7 | 48% | 0.481 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.4 | 16.6 | -175.1 | -61.5 | 11.9 | 0 | 0 | 0 | 112.7 | N772 E776 E777 S778 | N772-N774 PolarHBondContact O-N 3.32Å; N772-N774 VanDerWaalsContact O-N 3.16Å; N774-E776 VanDerWaalsContact C-N 3.25Å; N774-E776 PolarHBondContact O-N 3.04Å; N774-E777 PolarHBondContact O-N 2.98Å; N774-E777 VanDerWaalsContact O-N 3.09Å; N774-S778 PolarHBondContact O-N 3.32Å |
| 775 | W | 89.1 | Confident | 88.4 | Confident | 32 Ų | 32 | 59.5 Ų | 59.5 | 12% | 0.121 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -56.8 | -35.2 | -175.3 | 73.6 | -86.5 | 0 | 0 | 0 | 113.4 | Y766 R769 N772 E777 S778 V779 I816 Q817 F818 | Y766-W775 AromaticContact CD2-CH2 3.95Å; Y766-W775 HydrophobicContact CD2-CH2 3.95Å; Y766-W775 AromaticContact CD2-CZ3 3.77Å; Y766-W775 HydrophobicContact CD2-CZ3 3.77Å; Y766-W775 HydrophobicContact CE2-CH2 4.29Å; R769-W775 HydrophobicContact CB-CD2 3.69Å; R769-W775 HydrophobicContact CB-CE3 4.36Å; R769-W775 HydrophobicContact CB-CG 3.75Å; R769-W775 HydrophobicContact CB-CZ2 4.36Å; N772-W775 WeakPolarHBondContact O-CB 3.4Å; N772-W775 VanDerWaalsContact O-CD1 3.25Å; N772-W775 PolarHBondContact O-N 3.33Å; W775-E777 PolarHBondContact O-N 2.84Å; W775-S778 PolarHBondContact O-N 3.07Å; W775-V779 HydrophobicContact CE3-CG2 3.89Å; W775-V779 HydrophobicContact CZ3-CG2 4.16Å; W775-V779 WeakPolarHBondContact O-CB 3.28Å; W775-V779 WeakPolarHBondContact O-CG2 3.2Å; W775-V779 PolarHBondContact O-N 3.43Å; W775-I816 HydrophobicContact CZ3-CG2 4.33Å; W775-Q817 WeakPolarHBondContact CH2-O 3.29Å; W775-F818 HydrophobicContact CH2-CB 4.09Å; W775-F818 HydrophobicContact CZ3-CB 4.34Å |
| 776 | E | 89.6 | Confident | 88.8 | Confident | 65 Ų | 65 | 59.4 Ų | 59.4 | 30% | 0.304 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -64.1 | -38.9 | 178.1 | -71.9 | -165.7 | -163.2 | 0 | 0 | 112.5 | N774 T780 F818 T819 | N774-E776 VanDerWaalsContact C-N 3.25Å; N774-E776 PolarHBondContact O-N 3.04Å; E776-T780 WeakPolarHBondContact O-CB 3.49Å; E776-T780 PolarHBondContact O-N 3.37Å; E776-T780 PolarHBondContact O-OG1 3.08Å; E776-F818 HydrophobicContact CG-CB 4.2Å; E776-T819 VanDerWaalsContact OE2-CG2 3.27Å; E776-T819 WeakPolarHBondContact OE2-CG2 3.49Å; E776-T819 PolarHBondContact OE2-OG1 3.08Å |
| 777 | E | 90.8 | Very high | 89.4 | Confident | 117 Ų | 117 | 59.3 Ų | 59.3 | 55% | 0.547 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -68.4 | -42.2 | 177 | -173.6 | 176.4 | -176.2 | 0 | 0 | 110.3 | N774 W775 T780 N781 | N774-E777 PolarHBondContact O-N 2.98Å; N774-E777 VanDerWaalsContact O-N 3.09Å; W775-E777 PolarHBondContact O-N 2.84Å; E777-T780 WeakPolarHBondContact O-CB 3.37Å; E777-T780 PolarHBondContact O-N 3.26Å; E777-N781 WeakPolarHBondContact O-CB 3.36Å; E777-N781 VanDerWaalsContact O-CG 3.23Å; E777-N781 PolarHBondContact O-N 2.95Å; E777-N781 PolarHBondContact O-ND2 3.18Å |
| 778 | S | 91.2 | Very high | 90 | Very high | 20 Ų | 20 | 62.5 Ų | 62.5 | 14% | 0.14 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -60.5 | -48.1 | 174.1 | -61 | 0 | 0 | 0 | 0 | 111.7 | N774 W775 T780 N781 V782 | N774-S778 PolarHBondContact O-N 3.32Å; W775-S778 PolarHBondContact O-N 3.07Å; S778-T780 VanDerWaalsContact C-N 3.32Å; S778-T780 PolarHBondContact O-N 3.04Å; S778-N781 PolarHBondContact O-N 2.92Å; S778-N781 VanDerWaalsContact O-N 3.16Å; S778-V782 VanDerWaalsContact O-CG2 3.3Å; S778-V782 WeakPolarHBondContact O-CG2 3.49Å; S778-V782 PolarHBondContact O-N 3.36Å |
| 779 | V | 92.5 | Very high | 90.6 | Very high | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -56.1 | -48.2 | 174.4 | 159.8 | 0 | 0 | 0 | 0 | 110.9 | I762 W775 N781 V782 V783 F818 | I762-V779 HydrophobicContact CG2-CB 4.36Å; I762-V779 HydrophobicContact CG2-CG1 3.77Å; I762-V779 HydrophobicContact CG2-CG2 4.01Å; W775-V779 HydrophobicContact CE3-CG2 3.89Å; W775-V779 HydrophobicContact CZ3-CG2 4.16Å; W775-V779 WeakPolarHBondContact O-CB 3.28Å; W775-V779 WeakPolarHBondContact O-CG2 3.2Å; W775-V779 PolarHBondContact O-N 3.43Å; V779-N781 VanDerWaalsContact C-N 3.3Å; V779-N781 PolarHBondContact O-N 3.4Å; V779-V782 PolarHBondContact O-N 3.29Å; V779-V783 HydrophobicContact CG1-CG2 4.44Å; V779-V783 WeakPolarHBondContact O-CG2 3.33Å; V779-V783 PolarHBondContact O-N 3.01Å; V779-F818 HydrophobicContact CG1-CD1 4.02Å; V779-F818 HydrophobicContact CG1-CD2 4.4Å; V779-F818 HydrophobicContact CG1-CE1 4.04Å; V779-F818 HydrophobicContact CG1-CE2 4.39Å; V779-F818 HydrophobicContact CG1-CG 4.23Å; V779-F818 HydrophobicContact CG1-CZ 4.22Å |
| 780 | T | 93.5 | Very high | 91.2 | Very high | 7 Ų | 7 | 56.5 Ų | 56.5 | 4% | 0.043 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -58.6 | -41.4 | 178.2 | -69.1 | 0 | 0 | 0 | 0 | 111.7 | E776 E777 S778 V783 R784 M824 | E776-T780 WeakPolarHBondContact O-CB 3.49Å; E776-T780 PolarHBondContact O-N 3.37Å; E776-T780 PolarHBondContact O-OG1 3.08Å; E777-T780 WeakPolarHBondContact O-CB 3.37Å; E777-T780 PolarHBondContact O-N 3.26Å; S778-T780 VanDerWaalsContact C-N 3.32Å; S778-T780 PolarHBondContact O-N 3.04Å; T780-V783 PolarHBondContact O-N 3.25Å; T780-R784 WeakPolarHBondContact O-CG 3.43Å; T780-R784 PolarHBondContact O-N 3.5Å; T780-M824 HydrophobicContact CG2-CE 3.36Å |
| 781 | N | 94.4 | Very high | 91.9 | Very high | 54 Ų | 54 | 52.2 Ų | 52.2 | 29% | 0.289 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -66.8 | -40.9 | 176.4 | -70.8 | -26.2 | 0 | 0 | 0 | 112.4 | F729 E777 S778 V779 R784 F785 | F729-N781 HydrophobicContact CE1-CB 4.09Å; F729-N781 HydrophobicContact CZ-CB 4.14Å; E777-N781 WeakPolarHBondContact O-CB 3.36Å; E777-N781 VanDerWaalsContact O-CG 3.23Å; E777-N781 PolarHBondContact O-N 2.95Å; E777-N781 PolarHBondContact O-ND2 3.18Å; S778-N781 PolarHBondContact O-N 2.92Å; S778-N781 VanDerWaalsContact O-N 3.16Å; V779-N781 VanDerWaalsContact C-N 3.3Å; V779-N781 PolarHBondContact O-N 3.4Å; N781-R784 PolarHBondContact O-N 3.23Å; N781-R784 PolarHBondContact OD1-NH1 2.96Å; N781-F785 WeakPolarHBondContact O-CB 3.34Å; N781-F785 PolarHBondContact O-N 3.07Å |
| 782 | V | 94.8 | Very high | 92.5 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -65.8 | -38.9 | 175.9 | -178.4 | 0 | 0 | 0 | 0 | 111.3 | F729 S758 L761 I762 Y765 S778 V779 F785 C786 | F729-V782 HydrophobicContact CD2-CG2 3.66Å; F729-V782 HydrophobicContact CE2-CB 4.23Å; F729-V782 HydrophobicContact CE2-CG2 3.76Å; F729-V782 HydrophobicContact CG-CG2 4.22Å; F729-V782 HydrophobicContact CZ-CG2 4.37Å; S758-V782 WeakPolarHBondContact O-CG1 3.41Å; L761-V782 HydrophobicContact CD2-CG2 4.11Å; I762-V782 HydrophobicContact CD1-CG1 4.11Å; I762-V782 HydrophobicContact CG1-CB 3.98Å; I762-V782 HydrophobicContact CG1-CG1 3.43Å; I762-V782 VanDerWaalsContact CG1-CG1 3.43Å; Y765-V782 HydrophobicContact CD2-CG2 4.19Å; Y765-V782 HydrophobicContact CE2-CG2 3.77Å; S778-V782 VanDerWaalsContact O-CG2 3.3Å; S778-V782 WeakPolarHBondContact O-CG2 3.49Å; S778-V782 PolarHBondContact O-N 3.36Å; V779-V782 PolarHBondContact O-N 3.29Å; V782-F785 WeakPolarHBondContact O-CB 3.3Å; V782-F785 PolarHBondContact O-N 3.07Å; V782-C786 PolarHBondContact O-N 3.41Å; V782-C786 PolarHBondContact O-SG 3.42Å; V782-C786 VanDerWaalsContact O-SG 3.42Å |
| 783 | V | 95.5 | Very high | 93.3 | Very high | 1 Ų | 1 | 42.6 Ų | 42.6 | 1% | 0.006 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -63.8 | -44.3 | 175.3 | 173.2 | 0 | 0 | 0 | 0 | 111.1 | I762 V779 T780 F785 C786 H787 I813 M824 F828 | I762-V783 HydrophobicContact CD1-CG2 3.73Å; V779-V783 HydrophobicContact CG1-CG2 4.44Å; V779-V783 WeakPolarHBondContact O-CG2 3.33Å; V779-V783 PolarHBondContact O-N 3.01Å; T780-V783 PolarHBondContact O-N 3.25Å; V783-F785 VanDerWaalsContact C-N 3.27Å; V783-F785 PolarHBondContact O-N 3.45Å; V783-C786 PolarHBondContact O-N 2.94Å; V783-H787 PolarHBondContact O-N 3.22Å; V783-I813 HydrophobicContact CB-CD1 4.38Å; V783-I813 HydrophobicContact CG1-CD1 3.65Å; V783-I813 HydrophobicContact CG2-CD1 3.86Å; V783-I813 HydrophobicContact CG2-CG1 3.96Å; V783-M824 HydrophobicContact CB-SD 3.87Å; V783-M824 HydrophobicContact CG1-CB 4.14Å; V783-M824 HydrophobicContact CG1-CG 4.26Å; V783-M824 HydrophobicContact CG1-SD 3.48Å; V783-M824 WeakPolarHBondContact CG1-SD 3.4Å; V783-M824 HydrophobicContact CG2-SD 4.4Å; V783-F828 HydrophobicContact CG1-CE2 3.68Å; V783-F828 HydrophobicContact CG1-CZ 3.92Å |
| 784 | R | 96 | Very high | 94.1 | Very high | 137 Ų | 137 | 39.5 Ų | 39.5 | 52% | 0.517 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -61.4 | -37.2 | 174.2 | -70.8 | 177.8 | -166.3 | 133.6 | -3 | 112 | T780 N781 H787 R788 | T780-R784 WeakPolarHBondContact O-CG 3.43Å; T780-R784 PolarHBondContact O-N 3.5Å; N781-R784 PolarHBondContact O-N 3.23Å; N781-R784 PolarHBondContact OD1-NH1 2.96Å; R784-H787 PolarHBondContact O-N 2.92Å; R784-R788 WeakPolarHBondContact O-CB 3.45Å; R784-R788 PolarHBondContact O-N 3.14Å |
| 785 | F | 96.6 | Very high | 94.4 | Very high | 10 Ų | 10 | 38.3 Ų | 38.3 | 4% | 0.044 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -61.2 | -49.5 | 173.1 | 172.9 | -87.3 | 0 | 0 | 0 | 111.3 | F729 F732 Q736 L754 S758 N781 V782 V783 H787 R788 C789 | F729-F785 HydrophobicContact CE2-CB 3.69Å; F729-F785 HydrophobicContact CE2-CD1 4.48Å; F729-F785 HydrophobicContact CE2-CD2 4.21Å; F729-F785 AromaticContact CE2-CG 3.88Å; F729-F785 HydrophobicContact CE2-CG 3.88Å; F729-F785 HydrophobicContact CZ-CB 4.01Å; F732-F785 HydrophobicContact CB-CE1 4.49Å; F732-F785 HydrophobicContact CB-CZ 4.04Å; Q736-F785 HydrophobicContact CB-CE2 3.7Å; Q736-F785 HydrophobicContact CB-CZ 4.03Å; Q736-F785 HydrophobicContact CG-CE2 4.07Å; Q736-F785 HydrophobicContact CG-CZ 4.43Å; Q736-F785 VanDerWaalsContact OE1-CD2 3.28Å; L754-F785 HydrophobicContact CB-CE1 4.39Å; L754-F785 HydrophobicContact CB-CZ 4.37Å; L754-F785 HydrophobicContact CD1-CZ 4.46Å; S758-F785 WeakPolarHBondContact OG-CD1 3.47Å; S758-F785 WeakPolarHBondContact OG-CE1 3.34Å; N781-F785 WeakPolarHBondContact O-CB 3.34Å; N781-F785 PolarHBondContact O-N 3.07Å; V782-F785 WeakPolarHBondContact O-CB 3.3Å; V782-F785 PolarHBondContact O-N 3.07Å; V783-F785 VanDerWaalsContact C-N 3.27Å; V783-F785 PolarHBondContact O-N 3.45Å; F785-H787 VanDerWaalsContact C-N 3.3Å; F785-H787 PolarHBondContact O-N 3.4Å; F785-R788 WeakPolarHBondContact O-CB 3.19Å; F785-R788 PolarHBondContact O-N 3.43Å; F785-R788 VanDerWaalsContact O-N 3.13Å; F785-C789 VanDerWaalsContact CE1-SG 3.59Å; F785-C789 VanDerWaalsContact CZ-SG 3.59Å; F785-C789 PolarHBondContact O-N 2.93Å; F785-C789 PolarHBondContact O-SG 3.48Å; F785-C789 VanDerWaalsContact O-SG 3.42Å |
| 786 | C | 96.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -57.3 | -43.5 | 175.7 | -69 | 0 | 0 | 0 | 0 | 112 | V782 V783 C789 C790 F828 | V782-C786 PolarHBondContact O-N 3.41Å; V782-C786 PolarHBondContact O-SG 3.42Å; V782-C786 VanDerWaalsContact O-SG 3.42Å; V783-C786 PolarHBondContact O-N 2.94Å; C786-C789 PolarHBondContact O-N 2.8Å; C786-C790 PolarHBondContact O-N 3.07Å; C786-C790 PolarHBondContact O-SG 2.93Å; C786-F828 HydrophobicContact CB-CZ 4.35Å |
| 787 | H | 97.2 | Very high | 94.6 | Very high | 42 Ų | 42 | 39.9 Ų | 39.9 | 19% | 0.194 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -59.9 | -46.4 | 175.9 | -175.4 | -74.9 | 0 | 0 | 0 | 111.7 | V783 R784 F785 C789 C790 T791 F806 F828 | V783-H787 PolarHBondContact O-N 3.22Å; R784-H787 PolarHBondContact O-N 2.92Å; F785-H787 VanDerWaalsContact C-N 3.3Å; F785-H787 PolarHBondContact O-N 3.4Å; H787-C789 PolarHBondContact O-N 2.68Å; H787-C790 PolarHBondContact O-N 2.85Å; H787-T791 PolarHBondContact CE1-OG1 3.35Å; H787-T791 PolarHBondContact ND1-OG1 2.92Å; H787-T791 PolarHBondContact O-N 3.46Å; H787-T791 PolarHBondContact O-OG1 3.07Å; H787-F806 AromaticContact CD2-CE1 3.9Å; H787-F828 HydrophobicContact CB-CE2 3.83Å; H787-F828 HydrophobicContact CB-CZ 3.7Å; H787-F828 AromaticContact CD2-CE2 3.87Å |
| 788 | R | 96.3 | Very high | 94.6 | Very high | 147 Ų | 147 | 34.9 Ų | 34.9 | 56% | 0.555 | 18% | 0.18 | S | C | * | . | H | α-helix | trans | -59.6 | -46.6 | 177.2 | -179 | 64 | 64.6 | -178.4 | 1.5 | 111.1 | R784 F785 C790 T791 C792 | R784-R788 WeakPolarHBondContact O-CB 3.45Å; R784-R788 PolarHBondContact O-N 3.14Å; F785-R788 WeakPolarHBondContact O-CB 3.19Å; F785-R788 PolarHBondContact O-N 3.43Å; F785-R788 VanDerWaalsContact O-N 3.13Å; R788-C790 VanDerWaalsContact C-N 3.35Å; R788-C790 PolarHBondContact O-N 3.34Å; R788-T791 WeakPolarHBondContact O-CB 3.38Å; R788-T791 PolarHBondContact O-N 3.43Å; R788-C792 PolarHBondContact O-N 3.24Å; R788-C792 PolarHBondContact O-SG 3.28Å |
| 789 | C | 96.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -59 | -44.9 | 176.8 | -70.7 | 0 | 0 | 0 | 0 | 112 | F751 V755 F785 C786 H787 T791 C792 L793 | F751-C789 HydrophobicContact CD2-CB 3.83Å; F751-C789 WeakPolarHBondContact CD2-O 3.29Å; F751-C789 HydrophobicContact CE2-CB 4.4Å; V755-C789 HydrophobicContact CG2-CB 3.58Å; F785-C789 VanDerWaalsContact CE1-SG 3.59Å; F785-C789 VanDerWaalsContact CZ-SG 3.59Å; F785-C789 PolarHBondContact O-N 2.93Å; F785-C789 PolarHBondContact O-SG 3.48Å; F785-C789 VanDerWaalsContact O-SG 3.42Å; C786-C789 PolarHBondContact O-N 2.8Å; H787-C789 PolarHBondContact O-N 2.68Å; C789-T791 VanDerWaalsContact C-N 3.33Å; C789-T791 PolarHBondContact O-N 2.89Å; C789-C792 PolarHBondContact O-N 3.47Å; C789-L793 PolarHBondContact O-N 3.44Å |
| 790 | C | 96.7 | Very high | 94.5 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63.9 | -38.9 | 176.4 | -63.3 | 0 | 0 | 0 | 0 | 111.7 | C786 H787 R788 C792 L793 V794 F806 | C786-C790 PolarHBondContact O-N 3.07Å; C786-C790 PolarHBondContact O-SG 2.93Å; H787-C790 PolarHBondContact O-N 2.85Å; R788-C790 VanDerWaalsContact C-N 3.35Å; R788-C790 PolarHBondContact O-N 3.34Å; C790-C792 VanDerWaalsContact C-N 3.33Å; C790-C792 PolarHBondContact O-N 2.92Å; C790-L793 WeakPolarHBondContact O-CB 3.5Å; C790-L793 PolarHBondContact O-N 3.19Å; C790-V794 WeakPolarHBondContact O-CG2 3.46Å; C790-V794 PolarHBondContact O-N 3.37Å; C790-V794 VanDerWaalsContact O-N 3.07Å; C790-F806 HydrophobicContact CB-CD1 3.89Å; C790-F806 HydrophobicContact CB-CD2 4.08Å; C790-F806 HydrophobicContact CB-CE1 3.45Å; C790-F806 VanDerWaalsContact CB-CE1 3.45Å; C790-F806 HydrophobicContact CB-CE2 3.64Å; C790-F806 HydrophobicContact CB-CG 4.19Å; C790-F806 HydrophobicContact CB-CZ 3.31Å |
| 791 | T | 95.6 | Very high | 94.4 | Very high | 50 Ų | 50 | 41.3 Ų | 41.3 | 31% | 0.307 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -63.7 | -38 | 175.1 | -50.6 | 0 | 0 | 0 | 0 | 111.8 | H787 R788 C789 L793 V794 A795 | H787-T791 PolarHBondContact CE1-OG1 3.35Å; H787-T791 PolarHBondContact ND1-OG1 2.92Å; H787-T791 PolarHBondContact O-N 3.46Å; H787-T791 PolarHBondContact O-OG1 3.07Å; R788-T791 WeakPolarHBondContact O-CB 3.38Å; R788-T791 PolarHBondContact O-N 3.43Å; C789-T791 VanDerWaalsContact C-N 3.33Å; C789-T791 PolarHBondContact O-N 2.89Å; T791-L793 VanDerWaalsContact C-N 3.32Å; T791-V794 WeakPolarHBondContact O-CB 3.19Å; T791-V794 PolarHBondContact O-N 3.34Å; T791-A795 PolarHBondContact O-N 3.16Å |
| 792 | C | 95.7 | Very high | 94.4 | Very high | 14 Ų | 14 | 38.7 Ų | 38.7 | 10% | 0.095 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -66.1 | -35.9 | 175 | -62.1 | 0 | 0 | 0 | 0 | 111.8 | V747 F751 R788 C789 C790 V794 A795 A796 | V747-C792 HydrophobicContact CG1-CB 4.06Å; F751-C792 HydrophobicContact CD2-CB 3.91Å; F751-C792 HydrophobicContact CE2-CB 3.46Å; F751-C792 VanDerWaalsContact CE2-CB 3.46Å; F751-C792 HydrophobicContact CZ-CB 4.37Å; R788-C792 PolarHBondContact O-N 3.24Å; R788-C792 PolarHBondContact O-SG 3.28Å; C789-C792 PolarHBondContact O-N 3.47Å; C790-C792 VanDerWaalsContact C-N 3.33Å; C790-C792 PolarHBondContact O-N 2.92Å; C792-V794 VanDerWaalsContact C-N 3.34Å; C792-A795 PolarHBondContact O-N 2.66Å; C792-A796 WeakPolarHBondContact O-CB 3.3Å; C792-A796 PolarHBondContact O-N 2.92Å |
| 793 | L | 95.5 | Very high | 94.4 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -63.6 | -39 | 173.1 | -76 | 167.8 | 0 | 0 | 0 | 112 | V747 F751 P752 C789 C790 T791 A796 D797 A798 A802 L805 | V747-L793 HydrophobicContact CG1-CD2 4.19Å; V747-L793 HydrophobicContact CG1-CG 4.47Å; V747-L793 WeakPolarHBondContact O-CD2 3.33Å; F751-L793 HydrophobicContact CB-CD1 4.11Å; F751-L793 HydrophobicContact CB-CD2 4.03Å; F751-L793 HydrophobicContact CB-CG 3.94Å; P752-L793 HydrophobicContact CG-CD1 4.44Å; C789-L793 PolarHBondContact O-N 3.44Å; C790-L793 WeakPolarHBondContact O-CB 3.5Å; C790-L793 PolarHBondContact O-N 3.19Å; T791-L793 VanDerWaalsContact C-N 3.32Å; L793-A796 CarbonylContact O-C 3.49Å; L793-A796 PolarHBondContact O-N 3.2Å; L793-D797 PolarHBondContact O-N 3.34Å; L793-A798 HydrophobicContact CB-CB 4.38Å; L793-A798 HydrophobicContact CD2-CB 4.04Å; L793-A798 WeakPolarHBondContact O-CA 3.46Å; L793-A798 PolarHBondContact O-N 3.44Å; L793-A802 HydrophobicContact CB-CB 3.94Å; L793-L805 HydrophobicContact CD1-CD1 3.45Å; L793-L805 VanDerWaalsContact CD1-CD1 3.45Å |
| 794 | V | 94.3 | Very high | 94.4 | Very high | 43 Ų | 43 | 43.8 Ų | 43.8 | 26% | 0.261 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -61.8 | -48.8 | 172.8 | 176.7 | 0 | 0 | 0 | 0 | 110.8 | C790 T791 C792 A796 D797 A802 F806 L835 | C790-V794 WeakPolarHBondContact O-CG2 3.46Å; C790-V794 PolarHBondContact O-N 3.37Å; C790-V794 VanDerWaalsContact O-N 3.07Å; T791-V794 WeakPolarHBondContact O-CB 3.19Å; T791-V794 PolarHBondContact O-N 3.34Å; C792-V794 VanDerWaalsContact C-N 3.34Å; V794-A796 PolarHBondContact O-N 3.05Å; V794-A796 VanDerWaalsContact O-N 3.15Å; V794-D797 PolarHBondContact O-N 3.15Å; V794-A802 HydrophobicContact CG2-CB 3.59Å; V794-F806 HydrophobicContact CG2-CE2 4.24Å; V794-L835 HydrophobicContact CB-CD2 4.25Å; V794-L835 HydrophobicContact CG1-CD2 3.58Å; V794-L835 HydrophobicContact CG2-CD1 3.59Å; V794-L835 HydrophobicContact CG2-CD2 3.58Å; V794-L835 HydrophobicContact CG2-CG 4.18Å |
| 795 | A | 93.1 | Very high | 94.4 | Very high | 65 Ų | 65 | 37.7 Ų | 37.7 | 54% | 0.537 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -62.5 | -21.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113 | H744 T791 C792 | H744-A795 PolarHBondContact CE1-O 3.23Å; H744-A795 PolarHBondContact ND1-O 2.81Å; T791-A795 PolarHBondContact O-N 3.16Å; C792-A795 PolarHBondContact O-N 2.66Å |
| 796 | A | 91.9 | Very high | 94.4 | Very high | 1 Ų | 1 | 37.3 Ų | 37.3 | 1% | 0.008 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | 19.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | H744 V747 R748 C792 L793 V794 A798 | H744-A796 HydrophobicContact CB-CB 3.83Å; H744-A796 WeakPolarHBondContact ND1-CA 3.46Å; V747-A796 HydrophobicContact CB-CB 4.26Å; V747-A796 HydrophobicContact CG1-CB 4.06Å; R748-A796 HydrophobicContact CG-CB 4.08Å; R748-A796 PolarHBondContact NE-O 2.92Å; R748-A796 PolarHBondContact NH2-O 3.43Å; C792-A796 WeakPolarHBondContact O-CB 3.3Å; C792-A796 PolarHBondContact O-N 2.92Å; L793-A796 CarbonylContact O-C 3.49Å; L793-A796 PolarHBondContact O-N 3.2Å; V794-A796 PolarHBondContact O-N 3.05Å; V794-A796 VanDerWaalsContact O-N 3.15Å; A796-A798 PolarHBondContact O-N 3.48Å; A796-A798 VanDerWaalsContact O-N 3.07Å |
| 797 | D | 90.6 | Very high | 94.4 | Very high | 129 Ų | 129 | 37.4 Ų | 37.4 | 69% | 0.69 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.1 | 23.5 | -175 | -41 | -53.4 | 0 | 0 | 0 | 116 | R748 L793 V794 S799 | R748-D797 IonicContact NH2-OD2 3.57Å; R748-D797 PolarHBondContact NH2-OD2 3.36Å; L793-D797 PolarHBondContact O-N 3.34Å; V794-D797 PolarHBondContact O-N 3.15Å; D797-S799 VanDerWaalsContact C-N 3.26Å; D797-S799 PolarHBondContact O-N 3.49Å |
| 798 | A | 92 | Very high | 94.2 | Very high | 12 Ų | 12 | 40 Ų | 40 | 10% | 0.099 | 21% | 0.207 | C | C | . | . | trans | -95.4 | 46.5 | 170.1 | 0 | 0 | 0 | 0 | 0 | 111 | R748 L793 A796 E800 S801 A802 | R748-A798 HydrophobicContact CB-CB 4.47Å; R748-A798 HydrophobicContact CG-CB 3.97Å; L793-A798 HydrophobicContact CB-CB 4.38Å; L793-A798 HydrophobicContact CD2-CB 4.04Å; L793-A798 WeakPolarHBondContact O-CA 3.46Å; L793-A798 PolarHBondContact O-N 3.44Å; A796-A798 PolarHBondContact O-N 3.48Å; A796-A798 VanDerWaalsContact O-N 3.07Å; A798-E800 VanDerWaalsContact C-N 3.31Å; A798-E800 PolarHBondContact O-N 2.85Å; A798-S801 PolarHBondContact O-N 3.46Å; A798-S801 VanDerWaalsContact O-N 3.15Å; A798-A802 PolarHBondContact O-N 2.92Å | ||
| 799 | S | 91.1 | Very high | 94.2 | Very high | 21 Ų | 21 | 33 Ų | 33 | 15% | 0.147 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -60.7 | -36.7 | -171.7 | -55.4 | 0 | 0 | 0 | 0 | 113.3 | D797 A802 L803 A839 | D797-S799 VanDerWaalsContact C-N 3.26Å; D797-S799 PolarHBondContact O-N 3.49Å; S799-A802 PolarHBondContact O-N 3.1Å; S799-L803 VanDerWaalsContact O-CB 3.31Å; S799-L803 WeakPolarHBondContact O-CB 3.49Å; S799-L803 PolarHBondContact O-N 2.96Å; S799-A839 VanDerWaalsContact CB-CB 3.45Å |
| 800 | E | 90.3 | Very high | 94 | Very high | 88 Ų | 88 | 33 Ų | 33 | 41% | 0.411 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -64.6 | -44.3 | 175.6 | -80 | -163 | -156.2 | 0 | 0 | 112.9 | A798 L803 R804 | A798-E800 VanDerWaalsContact C-N 3.31Å; A798-E800 PolarHBondContact O-N 2.85Å; E800-L803 PolarHBondContact O-N 2.85Å; E800-R804 WeakPolarHBondContact O-CG 3.31Å; E800-R804 PolarHBondContact O-N 2.88Å; E800-R804 VanDerWaalsContact O-N 3.13Å; E800-R804 IonicContact OE2-CZ 3.46Å; E800-R804 IonicContact OE2-NH1 3.31Å; E800-R804 PolarHBondContact OE2-NH1 2.96Å; E800-R804 IonicContact OE2-NH2 2.68Å |
| 801 | S | 91.1 | Very high | 93.8 | Very high | 53 Ų | 53 | 34.5 Ų | 34.5 | 37% | 0.371 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -65.7 | -42.3 | 176.2 | -60.8 | 0 | 0 | 0 | 0 | 110.6 | A798 R804 L805 | A798-S801 PolarHBondContact O-N 3.46Å; A798-S801 VanDerWaalsContact O-N 3.15Å; S801-R804 PolarHBondContact O-N 2.94Å; S801-L805 WeakPolarHBondContact O-CB 3.5Å; S801-L805 VanDerWaalsContact O-CG 3.31Å; S801-L805 WeakPolarHBondContact O-CG 3.36Å; S801-L805 PolarHBondContact O-N 2.85Å |
| 802 | A | 95.4 | Very high | 93.5 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -61 | -46.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | L793 V794 A798 S799 R804 L805 F806 L835 | L793-A802 HydrophobicContact CB-CB 3.94Å; V794-A802 HydrophobicContact CG2-CB 3.59Å; A798-A802 PolarHBondContact O-N 2.92Å; S799-A802 PolarHBondContact O-N 3.1Å; A802-R804 PolarHBondContact O-N 3.29Å; A802-L805 PolarHBondContact O-N 3.05Å; A802-F806 HydrophobicContact CB-CD2 4.42Å; A802-F806 HydrophobicContact CB-CE2 4.28Å; A802-F806 WeakPolarHBondContact O-CD2 3.42Å; A802-F806 PolarHBondContact O-N 3.49Å; A802-L835 HydrophobicContact CB-CD1 4.08Å |
| 803 | L | 94.8 | Very high | 93.3 | Very high | 5 Ų | 5 | 32 Ų | 32 | 3% | 0.026 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -56.6 | -48.7 | 176.8 | -178.7 | 155.5 | 0 | 0 | 0 | 111.1 | S799 E800 L805 F806 L807 A832 L835 V840 A849 L852 | S799-L803 VanDerWaalsContact O-CB 3.31Å; S799-L803 WeakPolarHBondContact O-CB 3.49Å; S799-L803 PolarHBondContact O-N 2.96Å; E800-L803 PolarHBondContact O-N 2.85Å; L803-L805 VanDerWaalsContact C-N 3.33Å; L803-L805 PolarHBondContact O-N 3.22Å; L803-F806 PolarHBondContact O-N 3.48Å; L803-L807 HydrophobicContact CD2-CD1 3.7Å; L803-L807 WeakPolarHBondContact O-CG 3.5Å; L803-L807 PolarHBondContact O-N 2.92Å; L803-L807 VanDerWaalsContact O-N 3.15Å; L803-A832 HydrophobicContact CG-CB 4.36Å; L803-L835 HydrophobicContact CB-CD1 4.36Å; L803-L835 HydrophobicContact CD1-CB 4.4Å; L803-V840 HydrophobicContact CD1-CG2 4.22Å; L803-A849 HydrophobicContact CD1-CB 4.22Å; L803-A849 HydrophobicContact CD2-CB 4.35Å; L803-L852 HydrophobicContact CD2-CD2 4.45Å |
| 804 | R | 95 | Very high | 93 | Very high | 102 Ų | 102 | 32.6 Ų | 32.6 | 39% | 0.385 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -61.7 | -41.5 | 177.8 | -69.5 | 180 | 177.8 | 101 | -2.6 | 111.6 | E800 S801 A802 L807 Y808 E848 L852 | E800-R804 WeakPolarHBondContact O-CG 3.31Å; E800-R804 PolarHBondContact O-N 2.88Å; E800-R804 VanDerWaalsContact O-N 3.13Å; E800-R804 IonicContact OE2-CZ 3.46Å; E800-R804 IonicContact OE2-NH1 3.31Å; E800-R804 PolarHBondContact OE2-NH1 2.96Å; E800-R804 IonicContact OE2-NH2 2.68Å; S801-R804 PolarHBondContact O-N 2.94Å; A802-R804 PolarHBondContact O-N 3.29Å; R804-L807 PolarHBondContact O-N 3.16Å; R804-Y808 WeakPolarHBondContact O-CB 3.45Å; R804-Y808 PolarHBondContact O-N 3.36Å; R804-E848 IonicContact NH2-OE2 3.45Å; R804-L852 HydrophobicContact CB-CD2 4.44Å; R804-L852 HydrophobicContact CG-CD2 3.79Å |
| 805 | L | 95.6 | Very high | 92.6 | Very high | 10 Ų | 10 | 35 Ų | 35 | 5% | 0.052 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -69.9 | -36.1 | 178.3 | -72.1 | 172.1 | 0 | 0 | 0 | 113.2 | P752 V755 F756 L793 S801 A802 L803 S809 | P752-L805 HydrophobicContact CB-CD1 4.2Å; P752-L805 HydrophobicContact CG-CD1 4.25Å; V755-L805 HydrophobicContact CB-CD2 4.39Å; V755-L805 HydrophobicContact CG1-CD2 4.03Å; V755-L805 HydrophobicContact CG2-CD1 4.43Å; F756-L805 HydrophobicContact CE1-CD2 4.31Å; F756-L805 HydrophobicContact CE2-CD2 4.05Å; F756-L805 HydrophobicContact CZ-CD2 3.83Å; L793-L805 HydrophobicContact CD1-CD1 3.45Å; L793-L805 VanDerWaalsContact CD1-CD1 3.45Å; S801-L805 WeakPolarHBondContact O-CB 3.5Å; S801-L805 VanDerWaalsContact O-CG 3.31Å; S801-L805 WeakPolarHBondContact O-CG 3.36Å; S801-L805 PolarHBondContact O-N 2.85Å; A802-L805 PolarHBondContact O-N 3.05Å; L803-L805 VanDerWaalsContact C-N 3.33Å; L803-L805 PolarHBondContact O-N 3.22Å; L805-S809 WeakPolarHBondContact O-CB 3.41Å; L805-S809 PolarHBondContact O-N 2.66Å; L805-S809 PolarHBondContact O-OG 2.88Å |
| 806 | F | 97.4 | Very high | 92.2 | Very high | 1 Ų | 1 | 32.1 Ų | 32.1 | 0% | 0.004 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -60.6 | -48.2 | 173.6 | -82 | -60.5 | 0 | 0 | 0 | 110.8 | H787 C790 V794 A802 L803 S809 A810 F828 Q831 A832 L835 | H787-F806 AromaticContact CD2-CE1 3.9Å; C790-F806 HydrophobicContact CB-CD1 3.89Å; C790-F806 HydrophobicContact CB-CD2 4.08Å; C790-F806 HydrophobicContact CB-CE1 3.45Å; C790-F806 VanDerWaalsContact CB-CE1 3.45Å; C790-F806 HydrophobicContact CB-CE2 3.64Å; C790-F806 HydrophobicContact CB-CG 4.19Å; C790-F806 HydrophobicContact CB-CZ 3.31Å; V794-F806 HydrophobicContact CG2-CE2 4.24Å; A802-F806 HydrophobicContact CB-CD2 4.42Å; A802-F806 HydrophobicContact CB-CE2 4.28Å; A802-F806 WeakPolarHBondContact O-CD2 3.42Å; A802-F806 PolarHBondContact O-N 3.49Å; L803-F806 PolarHBondContact O-N 3.48Å; F806-S809 PolarHBondContact O-N 2.83Å; F806-A810 WeakPolarHBondContact O-CB 3.33Å; F806-A810 PolarHBondContact O-N 3.32Å; F806-F828 HydrophobicContact CB-CD1 4.43Å; F806-F828 HydrophobicContact CD1-CB 4.35Å; F806-F828 AromaticContact CD1-CD1 3.61Å; F806-F828 HydrophobicContact CD1-CD1 3.61Å; F806-F828 HydrophobicContact CD1-CE1 4.09Å; F806-F828 HydrophobicContact CD1-CG 4.06Å; F806-F828 HydrophobicContact CE1-CD1 4.44Å; F806-F828 WeakPolarHBondContact O-CD1 3.24Å; F806-Q831 HydrophobicContact CD1-CB 4.38Å; F806-Q831 HydrophobicContact CD2-CB 4.38Å; F806-Q831 HydrophobicContact CE1-CB 4.15Å; F806-Q831 HydrophobicContact CE2-CB 4.16Å; F806-Q831 HydrophobicContact CZ-CB 4.03Å; F806-A832 HydrophobicContact CB-CB 4.07Å; F806-L835 HydrophobicContact CD2-CD1 3.82Å; F806-L835 HydrophobicContact CE2-CD1 3.75Å |
| 807 | L | 95.3 | Very high | 91.8 | Very high | 3 Ų | 3 | 38.8 Ų | 38.8 | 2% | 0.016 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -65.6 | -44.6 | 178.7 | -64.9 | 176.3 | 0 | 0 | 0 | 112.1 | L803 R804 A810 L811 A832 L852 I853 T856 | L803-L807 HydrophobicContact CD2-CD1 3.7Å; L803-L807 WeakPolarHBondContact O-CG 3.5Å; L803-L807 PolarHBondContact O-N 2.92Å; L803-L807 VanDerWaalsContact O-N 3.15Å; R804-L807 PolarHBondContact O-N 3.16Å; L807-A810 WeakPolarHBondContact O-CB 3.43Å; L807-A810 PolarHBondContact O-N 3.29Å; L807-L811 PolarHBondContact O-N 3.16Å; L807-L811 VanDerWaalsContact O-N 3.12Å; L807-A832 HydrophobicContact CD2-CB 3.7Å; L807-A832 HydrophobicContact CG-CB 3.94Å; L807-L852 HydrophobicContact CD1-CB 4.26Å; L807-L852 HydrophobicContact CD1-CD2 3.83Å; L807-L852 HydrophobicContact CD1-CG 3.7Å; L807-I853 HydrophobicContact CD1-CB 4.49Å; L807-I853 HydrophobicContact CD1-CG1 3.67Å; L807-I853 HydrophobicContact CD2-CG1 4.17Å; L807-T856 HydrophobicContact CB-CG2 4.06Å; L807-T856 HydrophobicContact CD2-CG2 3.91Å |
| 808 | Y | 94.3 | Very high | 91.7 | Very high | 97 Ų | 97 | 33.4 Ų | 33.4 | 38% | 0.38 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -64 | -42.4 | 177.8 | -175.6 | -103.7 | 0 | 0 | 0 | 112 | F756 L759 R804 A810 L811 V812 | F756-Y808 HydrophobicContact CD1-CD1 4.25Å; F756-Y808 AromaticContact CD1-CE1 3.83Å; F756-Y808 HydrophobicContact CD1-CE1 3.83Å; F756-Y808 AromaticContact CE1-CD1 3.73Å; F756-Y808 HydrophobicContact CE1-CD1 3.73Å; F756-Y808 AromaticContact CE1-CE1 3.58Å; F756-Y808 HydrophobicContact CE1-CE1 3.58Å; L759-Y808 HydrophobicContact CD1-CD1 3.54Å; L759-Y808 HydrophobicContact CD1-CE1 3.67Å; R804-Y808 WeakPolarHBondContact O-CB 3.45Å; R804-Y808 PolarHBondContact O-N 3.36Å; Y808-A810 VanDerWaalsContact C-N 3.32Å; Y808-A810 PolarHBondContact O-N 3.36Å; Y808-L811 WeakPolarHBondContact O-CB 3.39Å; Y808-L811 PolarHBondContact O-N 3.03Å; Y808-V812 HydrophobicContact CD1-CG2 4.32Å; Y808-V812 HydrophobicContact CE1-CG2 3.86Å; Y808-V812 PolarHBondContact O-N 3.46Å; Y808-V812 VanDerWaalsContact O-N 3.11Å |
| 809 | S | 94.8 | Very high | 91.3 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -60.5 | -43.2 | 175.5 | -59.9 | 0 | 0 | 0 | 0 | 111 | L805 F806 L811 V812 I813 | L805-S809 WeakPolarHBondContact O-CB 3.41Å; L805-S809 PolarHBondContact O-N 2.66Å; L805-S809 PolarHBondContact O-OG 2.88Å; F806-S809 PolarHBondContact O-N 2.83Å; S809-L811 VanDerWaalsContact C-N 3.3Å; S809-L811 PolarHBondContact O-N 3.33Å; S809-V812 PolarHBondContact O-N 3.17Å; S809-V812 VanDerWaalsContact O-N 3.17Å; S809-I813 WeakPolarHBondContact O-CB 3.39Å; S809-I813 WeakPolarHBondContact O-CD1 3.32Å; S809-I813 WeakPolarHBondContact O-CG1 3.36Å; S809-I813 PolarHBondContact O-N 3.44Å |
| 810 | A | 94 | Very high | 91.1 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -57.9 | -41.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | F806 L807 Y808 I813 D814 I825 F828 I829 I860 | F806-A810 WeakPolarHBondContact O-CB 3.33Å; F806-A810 PolarHBondContact O-N 3.32Å; L807-A810 WeakPolarHBondContact O-CB 3.43Å; L807-A810 PolarHBondContact O-N 3.29Å; Y808-A810 VanDerWaalsContact C-N 3.32Å; Y808-A810 PolarHBondContact O-N 3.36Å; A810-I813 PolarHBondContact O-N 2.92Å; A810-D814 WeakPolarHBondContact O-CB 3.45Å; A810-D814 PolarHBondContact O-N 3.48Å; A810-I825 HydrophobicContact CB-CG2 4.21Å; A810-F828 HydrophobicContact CB-CB 4.26Å; A810-I829 HydrophobicContact CB-CG1 4.27Å; A810-I860 HydrophobicContact CB-CD1 3.98Å |
| 811 | L | 91.3 | Very high | 91.1 | Very high | 30 Ų | 30 | 37.1 Ų | 37.1 | 16% | 0.157 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -64.6 | -39.3 | 176.1 | -69.3 | 174 | 0 | 0 | 0 | 113.1 | L807 Y808 S809 T856 Q859 I860 | L807-L811 PolarHBondContact O-N 3.16Å; L807-L811 VanDerWaalsContact O-N 3.12Å; Y808-L811 WeakPolarHBondContact O-CB 3.39Å; Y808-L811 PolarHBondContact O-N 3.03Å; S809-L811 VanDerWaalsContact C-N 3.3Å; S809-L811 PolarHBondContact O-N 3.33Å; L811-T856 HydrophobicContact CD1-CG2 4.43Å; L811-T856 HydrophobicContact CD2-CG2 3.99Å; L811-T856 HydrophobicContact CG-CG2 3.94Å; L811-Q859 HydrophobicContact CD2-CB 3.67Å; L811-I860 HydrophobicContact CD2-CG1 4.13Å |
| 812 | V | 89.4 | Confident | 91.1 | Very high | 12 Ų | 12 | 37 Ų | 37 | 7% | 0.073 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -69.5 | -42.8 | 177.8 | 175.9 | 0 | 0 | 0 | 0 | 110.7 | L759 Q763 Y808 S809 D814 K815 | L759-V812 HydrophobicContact CB-CG1 4.3Å; L759-V812 HydrophobicContact CD1-CG2 4.32Å; L759-V812 HydrophobicContact CD2-CB 4.26Å; L759-V812 HydrophobicContact CD2-CG1 4.3Å; Q763-V812 HydrophobicContact CG-CG1 4.47Å; Y808-V812 HydrophobicContact CD1-CG2 4.32Å; Y808-V812 HydrophobicContact CE1-CG2 3.86Å; Y808-V812 PolarHBondContact O-N 3.46Å; Y808-V812 VanDerWaalsContact O-N 3.11Å; S809-V812 PolarHBondContact O-N 3.17Å; S809-V812 VanDerWaalsContact O-N 3.17Å; V812-D814 VanDerWaalsContact C-N 3.31Å; V812-D814 PolarHBondContact O-N 3.39Å; V812-K815 PolarHBondContact O-N 3.1Å |
| 813 | I | 91.6 | Very high | 91 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -65.9 | -33.9 | 179.2 | -63.5 | 163.7 | 0 | 0 | 0 | 110.9 | I762 V783 S809 A810 K815 I816 F818 Q821 I825 F828 | I762-I813 HydrophobicContact CD1-CG1 4.3Å; V783-I813 HydrophobicContact CB-CD1 4.38Å; V783-I813 HydrophobicContact CG1-CD1 3.65Å; V783-I813 HydrophobicContact CG2-CD1 3.86Å; V783-I813 HydrophobicContact CG2-CG1 3.96Å; S809-I813 WeakPolarHBondContact O-CB 3.39Å; S809-I813 WeakPolarHBondContact O-CD1 3.32Å; S809-I813 WeakPolarHBondContact O-CG1 3.36Å; S809-I813 PolarHBondContact O-N 3.44Å; A810-I813 PolarHBondContact O-N 2.92Å; I813-K815 PolarHBondContact O-N 3.4Å; I813-K815 VanDerWaalsContact O-N 3.15Å; I813-I816 PolarHBondContact O-N 2.89Å; I813-I816 VanDerWaalsContact O-N 3.08Å; I813-I816 VanDerWaalsContact O-O 3.13Å; I813-F818 HydrophobicContact CG2-CE1 3.76Å; I813-F818 HydrophobicContact CG2-CZ 4Å; I813-Q821 HydrophobicContact CG2-CG 4.3Å; I813-Q821 PolarHBondContact O-NE2 2.95Å; I813-I825 HydrophobicContact CB-CD1 4.12Å; I813-I825 HydrophobicContact CB-CG1 4.06Å; I813-I825 HydrophobicContact CG2-CD1 3.86Å; I813-I825 HydrophobicContact CG2-CG1 3.66Å; I813-F828 HydrophobicContact CD1-CE1 4.37Å; I813-F828 HydrophobicContact CD1-CE2 4.34Å; I813-F828 HydrophobicContact CD1-CZ 4.16Å |
| 814 | D | 89.7 | Confident | 90.9 | Very high | 13 Ų | 13 | 41.9 Ų | 41.9 | 7% | 0.07 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -57.3 | -28.1 | 175.3 | -179.4 | 72 | 0 | 0 | 0 | 112.8 | A810 V812 I816 Q821 I825 I860 N861 C862 | A810-D814 WeakPolarHBondContact O-CB 3.45Å; A810-D814 PolarHBondContact O-N 3.48Å; V812-D814 VanDerWaalsContact C-N 3.31Å; V812-D814 PolarHBondContact O-N 3.39Å; D814-I816 VanDerWaalsContact C-N 3.27Å; D814-I816 PolarHBondContact O-N 3.34Å; D814-Q821 VanDerWaalsContact C-NE2 3.3Å; D814-Q821 VanDerWaalsContact CA-NE2 3.31Å; D814-Q821 PolarHBondContact O-NE2 3.35Å; D814-I825 HydrophobicContact CB-CD1 3.91Å; D814-I860 HydrophobicContact CB-CG1 4.48Å; D814-N861 PolarHBondContact OD1-N 3Å; D814-N861 PolarHBondContact OD2-ND2 3.22Å; D814-N861 VanDerWaalsContact OD2-ND2 3.07Å; D814-C862 PolarHBondContact OD1-N 3.08Å; D814-C862 VanDerWaalsContact OD1-N 3.17Å |
| 815 | K | 85.7 | Confident | 90.9 | Very high | 94 Ų | 94 | 37 Ų | 37 | 41% | 0.409 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | -7.1 | -179.7 | -54.4 | -52.5 | 168.3 | -146.5 | 0 | 114.3 | V812 I813 | V812-K815 PolarHBondContact O-N 3.1Å; I813-K815 PolarHBondContact O-N 3.4Å; I813-K815 VanDerWaalsContact O-N 3.15Å |
| 816 | I | 85.6 | Confident | 90.9 | Very high | 4 Ų | 4 | 39.4 Ų | 39.4 | 2% | 0.021 | 20% | 0.198 | C | C | . | . | S | Bend | trans | -120.8 | 112 | -173.7 | -61.2 | 174.5 | 0 | 0 | 0 | 108 | I762 Q763 Y766 W775 I813 D814 F818 Q821 | I762-I816 HydrophobicContact CB-CD1 4.02Å; I762-I816 HydrophobicContact CG2-CD1 3.35Å; Q763-I816 HydrophobicContact CG-CD1 4.12Å; Y766-I816 HydrophobicContact CD2-CG2 3.63Å; Y766-I816 HydrophobicContact CE2-CG2 4.29Å; Y766-I816 HydrophobicContact CG-CG1 4.3Å; Y766-I816 HydrophobicContact CG-CG2 3.88Å; W775-I816 HydrophobicContact CZ3-CG2 4.33Å; I813-I816 PolarHBondContact O-N 2.89Å; I813-I816 VanDerWaalsContact O-N 3.08Å; I813-I816 VanDerWaalsContact O-O 3.13Å; D814-I816 VanDerWaalsContact C-N 3.27Å; D814-I816 PolarHBondContact O-N 3.34Å; I816-F818 HydrophobicContact CG2-CD1 4.16Å; I816-F818 VanDerWaalsContact O-CD1 3.28Å; I816-F818 WeakPolarHBondContact O-CD1 3.43Å; I816-F818 PolarHBondContact O-N 3.43Å; I816-Q821 PolarHBondContact O-NE2 3.13Å |
| 817 | Q | 83.4 | Confident | 90.8 | Very high | 141 Ų | 141 | 43 Ų | 43 | 66% | 0.659 | 22% | 0.215 | S | C | * | . | trans | -83 | 116.3 | -179.1 | -66 | -179.9 | 4.8 | 0 | 0 | 110.3 | W775 | W775-Q817 WeakPolarHBondContact CH2-O 3.29Š| ||
| 818 | F | 87.9 | Confident | 90.9 | Very high | 16 Ų | 16 | 43 Ų | 43 | 7% | 0.07 | 22% | 0.215 | C | C | . | . | trans | -149.8 | 165 | 173.7 | 66.6 | -78.4 | 0 | 0 | 0 | 110.5 | W775 E776 V779 I813 I816 N820 Q821 M824 | W775-F818 HydrophobicContact CH2-CB 4.09Å; W775-F818 HydrophobicContact CZ3-CB 4.34Å; E776-F818 HydrophobicContact CG-CB 4.2Å; V779-F818 HydrophobicContact CG1-CD1 4.02Å; V779-F818 HydrophobicContact CG1-CD2 4.4Å; V779-F818 HydrophobicContact CG1-CE1 4.04Å; V779-F818 HydrophobicContact CG1-CE2 4.39Å; V779-F818 HydrophobicContact CG1-CG 4.23Å; V779-F818 HydrophobicContact CG1-CZ 4.22Å; I813-F818 HydrophobicContact CG2-CE1 3.76Å; I813-F818 HydrophobicContact CG2-CZ 4Å; I816-F818 HydrophobicContact CG2-CD1 4.16Å; I816-F818 VanDerWaalsContact O-CD1 3.28Å; I816-F818 WeakPolarHBondContact O-CD1 3.43Å; I816-F818 PolarHBondContact O-N 3.43Å; F818-N820 HydrophobicContact CD2-CB 4.41Å; F818-N820 HydrophobicContact CE2-CB 4.09Å; F818-N820 PolarHBondContact O-N 3.4Å; F818-Q821 HydrophobicContact CD1-CB 3.91Å; F818-Q821 HydrophobicContact CD1-CG 4.27Å; F818-Q821 HydrophobicContact CE1-CB 3.74Å; F818-Q821 HydrophobicContact CE1-CG 3.89Å; F818-Q821 HydrophobicContact CE2-CB 4.49Å; F818-Q821 HydrophobicContact CG-CB 4.35Å; F818-Q821 HydrophobicContact CZ-CB 4.05Å; F818-Q821 HydrophobicContact CZ-CG 4.48Å; F818-Q821 WeakPolarHBondContact O-CB 3.19Å; F818-Q821 PolarHBondContact O-N 3.47Å; F818-Q821 VanDerWaalsContact O-N 3.15Å; F818-M824 HydrophobicContact CE2-CE 4.25Å; F818-M824 HydrophobicContact CE2-SD 3.75Å; F818-M824 HydrophobicContact CZ-SD 3.83Å | ||
| 819 | T | 84.2 | Confident | 90.9 | Very high | 106 Ų | 106 | 38.4 Ų | 38.4 | 65% | 0.65 | 20% | 0.197 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -51.4 | -44.8 | -169.9 | 43.8 | 0 | 0 | 0 | 0 | 115.7 | E776 | E776-T819 VanDerWaalsContact OE2-CG2 3.27Å; E776-T819 WeakPolarHBondContact OE2-CG2 3.49Å; E776-T819 PolarHBondContact OE2-OG1 3.08Å |
| 820 | N | 86.3 | Confident | 90.9 | Very high | 75 Ų | 75 | 40 Ų | 40 | 40% | 0.401 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.9 | 13.5 | -175.5 | -66 | -43 | 0 | 0 | 0 | 114.2 | F818 E822 S823 M824 | F818-N820 HydrophobicContact CD2-CB 4.41Å; F818-N820 HydrophobicContact CE2-CB 4.09Å; F818-N820 PolarHBondContact O-N 3.4Å; N820-E822 PolarHBondContact O-N 3.32Å; N820-S823 PolarHBondContact O-N 3.49Å; N820-M824 HydrophobicContact CB-CE 3.8Å; N820-M824 WeakPolarHBondContact O-CG 3.38Å; N820-M824 PolarHBondContact O-N 3.23Å; N820-M824 VanDerWaalsContact O-N 3.13Å |
| 821 | Q | 90.6 | Very high | 91 | Very high | 18 Ų | 18 | 42.9 Ų | 42.9 | 8% | 0.084 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -56.2 | -53 | -171.6 | -174.6 | -171.7 | 15 | 0 | 0 | 112.9 | I813 D814 I816 F818 S823 M824 I825 C862 | I813-Q821 HydrophobicContact CG2-CG 4.3Å; I813-Q821 PolarHBondContact O-NE2 2.95Å; D814-Q821 VanDerWaalsContact C-NE2 3.3Å; D814-Q821 VanDerWaalsContact CA-NE2 3.31Å; D814-Q821 PolarHBondContact O-NE2 3.35Å; I816-Q821 PolarHBondContact O-NE2 3.13Å; F818-Q821 HydrophobicContact CD1-CB 3.91Å; F818-Q821 HydrophobicContact CD1-CG 4.27Å; F818-Q821 HydrophobicContact CE1-CB 3.74Å; F818-Q821 HydrophobicContact CE1-CG 3.89Å; F818-Q821 HydrophobicContact CE2-CB 4.49Å; F818-Q821 HydrophobicContact CG-CB 4.35Å; F818-Q821 HydrophobicContact CZ-CB 4.05Å; F818-Q821 HydrophobicContact CZ-CG 4.48Å; F818-Q821 WeakPolarHBondContact O-CB 3.19Å; F818-Q821 PolarHBondContact O-N 3.47Å; F818-Q821 VanDerWaalsContact O-N 3.15Å; Q821-S823 PolarHBondContact O-N 3.27Å; Q821-M824 PolarHBondContact O-N 2.88Å; Q821-I825 HydrophobicContact CG-CD1 4Å; Q821-I825 WeakPolarHBondContact O-CG1 3.45Å; Q821-I825 PolarHBondContact O-N 3.13Å; Q821-C862 HydrophobicContact CG-CB 4.36Å |
| 822 | E | 91.3 | Very high | 91.2 | Very high | 49 Ų | 49 | 41.5 Ų | 41.5 | 23% | 0.229 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -61 | -44.6 | -176.2 | -172.8 | -180 | 170.2 | 0 | 0 | 112 | N820 M824 I825 Y826 L863 T864 N867 | N820-E822 PolarHBondContact O-N 3.32Å; E822-M824 PolarHBondContact O-N 3.34Å; E822-I825 PolarHBondContact O-N 3.03Å; E822-Y826 WeakPolarHBondContact O-CB 3.43Å; E822-Y826 PolarHBondContact O-N 2.85Å; E822-L863 HydrophobicContact CG-CD2 4.18Å; E822-T864 PolarHBondContact OE1-N 2.7Å; E822-T864 PolarHBondContact OE1-OG1 3.2Å; E822-T864 PolarHBondContact OE2-OG1 3.33Å; E822-N867 PolarHBondContact OE1-ND2 2.98Å |
| 823 | S | 92.8 | Very high | 91.5 | Very high | 84 Ų | 84 | 41.7 Ų | 41.7 | 59% | 0.587 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -63.1 | -41.3 | -179.9 | 176.6 | 0 | 0 | 0 | 0 | 112.1 | N820 Q821 E827 | N820-S823 PolarHBondContact O-N 3.49Å; Q821-S823 PolarHBondContact O-N 3.27Å; S823-E827 PolarHBondContact O-N 3.03Å; S823-E827 VanDerWaalsContact O-N 3.17Å |
| 824 | M | 93.7 | Very high | 91.6 | Very high | 25 Ų | 25 | 43.9 Ų | 43.9 | 12% | 0.123 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -69.8 | -43.8 | 178.6 | -69.2 | -178.3 | -174.1 | 0 | 0 | 111.4 | T780 V783 F818 N820 Q821 E822 Y826 E827 F828 | T780-M824 HydrophobicContact CG2-CE 3.36Å; V783-M824 HydrophobicContact CB-SD 3.87Å; V783-M824 HydrophobicContact CG1-CB 4.14Å; V783-M824 HydrophobicContact CG1-CG 4.26Å; V783-M824 HydrophobicContact CG1-SD 3.48Å; V783-M824 WeakPolarHBondContact CG1-SD 3.4Å; V783-M824 HydrophobicContact CG2-SD 4.4Å; F818-M824 HydrophobicContact CE2-CE 4.25Å; F818-M824 HydrophobicContact CE2-SD 3.75Å; F818-M824 HydrophobicContact CZ-SD 3.83Å; N820-M824 HydrophobicContact CB-CE 3.8Å; N820-M824 WeakPolarHBondContact O-CG 3.38Å; N820-M824 PolarHBondContact O-N 3.23Å; N820-M824 VanDerWaalsContact O-N 3.13Å; Q821-M824 PolarHBondContact O-N 2.88Å; E822-M824 PolarHBondContact O-N 3.34Å; M824-Y826 VanDerWaalsContact C-N 3.33Å; M824-Y826 PolarHBondContact O-N 3.39Å; M824-E827 WeakPolarHBondContact O-CB 3.34Å; M824-E827 PolarHBondContact O-N 3.44Å; M824-F828 WeakPolarHBondContact O-CD2 3.41Å; M824-F828 PolarHBondContact O-N 2.94Å |
| 825 | I | 94.2 | Very high | 91.8 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -63 | -42.1 | 178.3 | -69.6 | -174.2 | 0 | 0 | 0 | 111.2 | A810 I813 D814 Q821 E822 E827 F828 I829 I860 C862 L863 | A810-I825 HydrophobicContact CB-CG2 4.21Å; I813-I825 HydrophobicContact CB-CD1 4.12Å; I813-I825 HydrophobicContact CB-CG1 4.06Å; I813-I825 HydrophobicContact CG2-CD1 3.86Å; I813-I825 HydrophobicContact CG2-CG1 3.66Å; D814-I825 HydrophobicContact CB-CD1 3.91Å; Q821-I825 HydrophobicContact CG-CD1 4Å; Q821-I825 WeakPolarHBondContact O-CG1 3.45Å; Q821-I825 PolarHBondContact O-N 3.13Å; E822-I825 PolarHBondContact O-N 3.03Å; I825-E827 VanDerWaalsContact C-N 3.29Å; I825-E827 PolarHBondContact O-N 2.91Å; I825-F828 PolarHBondContact O-N 3.16Å; I825-I829 HydrophobicContact CG2-CD1 3.72Å; I825-I829 HydrophobicContact CG2-CG1 4.35Å; I825-I829 VanDerWaalsContact O-CG1 3.31Å; I825-I829 WeakPolarHBondContact O-CG1 3.37Å; I825-I829 PolarHBondContact O-N 3.2Å; I825-I860 HydrophobicContact CG2-CD1 3.88Å; I825-I860 HydrophobicContact CG2-CG2 3.94Å; I825-C862 VanDerWaalsContact CD1-SG 3.59Å; I825-L863 HydrophobicContact CG2-CD2 4.46Å |
| 826 | Y | 95.2 | Very high | 92.2 | Very high | 60 Ų | 60 | 39.9 Ų | 39.9 | 24% | 0.235 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -56 | -45.7 | 174.5 | -176.8 | -88.5 | 0 | 0 | 0 | 111.6 | E822 M824 I829 S830 N867 L871 | E822-Y826 WeakPolarHBondContact O-CB 3.43Å; E822-Y826 PolarHBondContact O-N 2.85Å; M824-Y826 VanDerWaalsContact C-N 3.33Å; M824-Y826 PolarHBondContact O-N 3.39Å; Y826-I829 PolarHBondContact O-N 3.38Å; Y826-S830 VanDerWaalsContact O-CB 3.23Å; Y826-S830 WeakPolarHBondContact O-CB 3.21Å; Y826-S830 PolarHBondContact O-N 3.04Å; Y826-N867 HydrophobicContact CD2-CB 3.74Å; Y826-N867 HydrophobicContact CE2-CB 3.96Å; Y826-L871 HydrophobicContact CD2-CD1 3.66Å; Y826-L871 HydrophobicContact CD2-CD2 4.3Å; Y826-L871 HydrophobicContact CD2-CG 3.96Å; Y826-L871 HydrophobicContact CE2-CD1 4.01Å; Y826-L871 HydrophobicContact CE2-CD2 3.97Å; Y826-L871 HydrophobicContact CE2-CG 3.76Å |
| 827 | E | 95.3 | Very high | 92.4 | Very high | 76 Ų | 76 | 45 Ų | 45 | 36% | 0.355 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -61.3 | -47.4 | 177.8 | -174.4 | 60.8 | -160.5 | 0 | 0 | 111.8 | S823 M824 I825 I829 S830 Q831 | S823-E827 PolarHBondContact O-N 3.03Å; S823-E827 VanDerWaalsContact O-N 3.17Å; M824-E827 WeakPolarHBondContact O-CB 3.34Å; M824-E827 PolarHBondContact O-N 3.44Å; I825-E827 VanDerWaalsContact C-N 3.29Å; I825-E827 PolarHBondContact O-N 2.91Å; E827-I829 VanDerWaalsContact C-N 3.32Å; E827-I829 PolarHBondContact O-N 3.44Å; E827-S830 PolarHBondContact O-N 3.36Å; E827-Q831 HydrophobicContact CG-CG 4.45Å; E827-Q831 WeakPolarHBondContact O-CB 3.42Å; E827-Q831 VanDerWaalsContact O-CG 3.29Å; E827-Q831 WeakPolarHBondContact O-CG 3.48Å; E827-Q831 PolarHBondContact O-N 3.17Å; E827-Q831 PolarHBondContact OE1-NE2 2.88Å |
| 828 | F | 96.7 | Very high | 92.7 | Very high | 3 Ų | 3 | 45.8 Ų | 45.8 | 1% | 0.013 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -58.8 | -42.8 | 178.9 | -85.7 | -115.1 | 0 | 0 | 0 | 112.1 | V783 C786 H787 F806 A810 I813 M824 I825 A832 | V783-F828 HydrophobicContact CG1-CE2 3.68Å; V783-F828 HydrophobicContact CG1-CZ 3.92Å; C786-F828 HydrophobicContact CB-CZ 4.35Å; H787-F828 HydrophobicContact CB-CE2 3.83Å; H787-F828 HydrophobicContact CB-CZ 3.7Å; H787-F828 AromaticContact CD2-CE2 3.87Å; F806-F828 HydrophobicContact CB-CD1 4.43Å; F806-F828 HydrophobicContact CD1-CB 4.35Å; F806-F828 AromaticContact CD1-CD1 3.61Å; F806-F828 HydrophobicContact CD1-CD1 3.61Å; F806-F828 HydrophobicContact CD1-CE1 4.09Å; F806-F828 HydrophobicContact CD1-CG 4.06Å; F806-F828 HydrophobicContact CE1-CD1 4.44Å; F806-F828 WeakPolarHBondContact O-CD1 3.24Å; A810-F828 HydrophobicContact CB-CB 4.26Å; I813-F828 HydrophobicContact CD1-CE1 4.37Å; I813-F828 HydrophobicContact CD1-CE2 4.34Å; I813-F828 HydrophobicContact CD1-CZ 4.16Å; M824-F828 WeakPolarHBondContact O-CD2 3.41Å; M824-F828 PolarHBondContact O-N 2.94Å; I825-F828 PolarHBondContact O-N 3.16Å; F828-A832 WeakPolarHBondContact O-CB 3.45Å; F828-A832 PolarHBondContact O-N 3Å |
| 829 | I | 96 | Very high | 92.7 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -72 | -39.9 | 178.8 | -59 | 166.3 | 0 | 0 | 0 | 111.1 | A810 I825 Y826 E827 Q831 A832 L833 L857 I860 L863 L871 | A810-I829 HydrophobicContact CB-CG1 4.27Å; I825-I829 HydrophobicContact CG2-CD1 3.72Å; I825-I829 HydrophobicContact CG2-CG1 4.35Å; I825-I829 VanDerWaalsContact O-CG1 3.31Å; I825-I829 WeakPolarHBondContact O-CG1 3.37Å; I825-I829 PolarHBondContact O-N 3.2Å; Y826-I829 PolarHBondContact O-N 3.38Å; E827-I829 VanDerWaalsContact C-N 3.32Å; E827-I829 PolarHBondContact O-N 3.44Å; I829-Q831 VanDerWaalsContact C-N 3.33Å; I829-Q831 PolarHBondContact O-N 3.15Å; I829-A832 WeakPolarHBondContact O-CB 3.49Å; I829-A832 PolarHBondContact O-N 3.19Å; I829-L833 HydrophobicContact CG2-CD1 4.2Å; I829-L833 PolarHBondContact O-N 3.07Å; I829-L857 HydrophobicContact CD1-CD2 3.9Å; I829-L857 HydrophobicContact CG2-CD2 4.03Å; I829-L857 HydrophobicContact CG2-CG 4.35Å; I829-I860 HydrophobicContact CD1-CD1 3.47Å; I829-I860 VanDerWaalsContact CD1-CD1 3.47Å; I829-I860 HydrophobicContact CG1-CD1 4.18Å; I829-L863 HydrophobicContact CD1-CD1 3.98Å; I829-L871 HydrophobicContact CB-CD1 4.29Å; I829-L871 HydrophobicContact CB-CD2 4.49Å; I829-L871 HydrophobicContact CD1-CD1 3.97Å; I829-L871 HydrophobicContact CG2-CD1 4.15Å; I829-L871 HydrophobicContact CG2-CD2 3.99Å |
| 830 | S | 94.8 | Very high | 92.9 | Very high | 35 Ų | 35 | 42.5 Ų | 42.5 | 25% | 0.245 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -59.8 | -44.3 | 176.5 | -176 | 0 | 0 | 0 | 0 | 111.1 | Y826 E827 L833 T834 | Y826-S830 VanDerWaalsContact O-CB 3.23Å; Y826-S830 WeakPolarHBondContact O-CB 3.21Å; Y826-S830 PolarHBondContact O-N 3.04Å; E827-S830 PolarHBondContact O-N 3.36Å; S830-L833 PolarHBondContact O-N 3.32Å; S830-T834 WeakPolarHBondContact O-CB 3.45Å; S830-T834 PolarHBondContact O-N 3.44Å; S830-T834 PolarHBondContact O-OG1 3.43Å |
| 831 | Q | 95.7 | Very high | 92.8 | Very high | 60 Ų | 60 | 44.2 Ų | 44.2 | 28% | 0.28 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -62.7 | -42.9 | 173.7 | -67.6 | -61.9 | -22.5 | 0 | 0 | 111.6 | F806 E827 I829 L833 T834 L835 | F806-Q831 HydrophobicContact CD1-CB 4.38Å; F806-Q831 HydrophobicContact CD2-CB 4.38Å; F806-Q831 HydrophobicContact CE1-CB 4.15Å; F806-Q831 HydrophobicContact CE2-CB 4.16Å; F806-Q831 HydrophobicContact CZ-CB 4.03Å; E827-Q831 HydrophobicContact CG-CG 4.45Å; E827-Q831 WeakPolarHBondContact O-CB 3.42Å; E827-Q831 VanDerWaalsContact O-CG 3.29Å; E827-Q831 WeakPolarHBondContact O-CG 3.48Å; E827-Q831 PolarHBondContact O-N 3.17Å; E827-Q831 PolarHBondContact OE1-NE2 2.88Å; I829-Q831 VanDerWaalsContact C-N 3.33Å; I829-Q831 PolarHBondContact O-N 3.15Å; Q831-L833 PolarHBondContact O-N 3.01Å; Q831-T834 PolarHBondContact O-N 3.29Å; Q831-L835 WeakPolarHBondContact O-CG 3.49Å; Q831-L835 PolarHBondContact O-N 3.11Å |
| 832 | A | 96 | Very high | 92.8 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -61.4 | -40.7 | 176 | 0 | 0 | 0 | 0 | 0 | 113 | L803 F806 L807 F828 I829 Y836 | L803-A832 HydrophobicContact CG-CB 4.36Å; F806-A832 HydrophobicContact CB-CB 4.07Å; L807-A832 HydrophobicContact CD2-CB 3.7Å; L807-A832 HydrophobicContact CG-CB 3.94Å; F828-A832 WeakPolarHBondContact O-CB 3.45Å; F828-A832 PolarHBondContact O-N 3Å; I829-A832 WeakPolarHBondContact O-CB 3.49Å; I829-A832 PolarHBondContact O-N 3.19Å; A832-Y836 PolarHBondContact O-N 2.77Å |
| 833 | L | 94.7 | Very high | 92.7 | Very high | 16 Ų | 16 | 46.3 Ų | 46.3 | 8% | 0.084 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -65.9 | -40.2 | 174.4 | -80.9 | 166.2 | 0 | 0 | 0 | 112 | I829 S830 Q831 Y836 E837 I853 L871 Q874 | I829-L833 HydrophobicContact CG2-CD1 4.2Å; I829-L833 PolarHBondContact O-N 3.07Å; S830-L833 PolarHBondContact O-N 3.32Å; Q831-L833 PolarHBondContact O-N 3.01Å; L833-Y836 WeakPolarHBondContact O-CB 3.47Å; L833-Y836 PolarHBondContact O-N 3.12Å; L833-E837 PolarHBondContact O-N 3.32Å; L833-E837 VanDerWaalsContact O-N 3.1Å; L833-I853 HydrophobicContact CD2-CD1 4.16Å; L833-I853 HydrophobicContact CD2-CG2 4Å; L833-I853 HydrophobicContact CG-CG2 4.39Å; L833-L871 HydrophobicContact CD1-CD2 3.86Å; L833-Q874 HydrophobicContact CD1-CB 4.25Å |
| 834 | T | 93.9 | Very high | 92.5 | Very high | 47 Ų | 47 | 48.1 Ų | 48.1 | 29% | 0.288 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -62.7 | -45.8 | 176.9 | -55 | 0 | 0 | 0 | 0 | 110.6 | S830 Q831 Y836 E837 E838 | S830-T834 WeakPolarHBondContact O-CB 3.45Å; S830-T834 PolarHBondContact O-N 3.44Å; S830-T834 PolarHBondContact O-OG1 3.43Å; Q831-T834 PolarHBondContact O-N 3.29Å; T834-Y836 VanDerWaalsContact C-N 3.31Å; T834-Y836 PolarHBondContact O-N 3.11Å; T834-E837 PolarHBondContact O-N 2.87Å; T834-E837 VanDerWaalsContact O-N 3.11Å; T834-E838 HydrophobicContact CG2-CG 4.34Å; T834-E838 WeakPolarHBondContact O-CB 3.31Å; T834-E838 WeakPolarHBondContact O-CG 3.36Å; T834-E838 PolarHBondContact O-N 2.86Å |
| 835 | L | 94 | Very high | 92.3 | Very high | 10 Ų | 10 | 47.4 Ų | 47.4 | 5% | 0.052 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62.7 | -36.4 | 175.6 | -69.4 | 176.2 | 0 | 0 | 0 | 113.2 | V794 A802 L803 F806 Q831 E837 A839 V840 | V794-L835 HydrophobicContact CB-CD2 4.25Å; V794-L835 HydrophobicContact CG1-CD2 3.58Å; V794-L835 HydrophobicContact CG2-CD1 3.59Å; V794-L835 HydrophobicContact CG2-CD2 3.58Å; V794-L835 HydrophobicContact CG2-CG 4.18Å; A802-L835 HydrophobicContact CB-CD1 4.08Å; L803-L835 HydrophobicContact CB-CD1 4.36Å; L803-L835 HydrophobicContact CD1-CB 4.4Å; F806-L835 HydrophobicContact CD2-CD1 3.82Å; F806-L835 HydrophobicContact CE2-CD1 3.75Å; Q831-L835 WeakPolarHBondContact O-CG 3.49Å; Q831-L835 PolarHBondContact O-N 3.11Å; L835-E837 VanDerWaalsContact C-N 3.32Å; L835-A839 WeakPolarHBondContact O-CA 3.14Å; L835-A839 WeakPolarHBondContact O-CB 3.44Å; L835-A839 PolarHBondContact O-N 3.36Å; L835-V840 PolarHBondContact O-N 3.2Å |
| 836 | Y | 93.7 | Very high | 92.2 | Very high | 13 Ų | 13 | 49.4 Ų | 49.4 | 5% | 0.051 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -60.3 | -43.2 | 173 | 164.7 | -92.9 | 0 | 0 | 0 | 111.7 | A832 L833 T834 Q846 A849 I850 I853 A878 L882 | A832-Y836 PolarHBondContact O-N 2.77Å; L833-Y836 WeakPolarHBondContact O-CB 3.47Å; L833-Y836 PolarHBondContact O-N 3.12Å; T834-Y836 VanDerWaalsContact C-N 3.31Å; T834-Y836 PolarHBondContact O-N 3.11Å; Y836-Q846 HydrophobicContact CE2-CB 3.94Å; Y836-Q846 HydrophobicContact CE2-CG 4.06Å; Y836-Q846 WeakPolarHBondContact CE2-O 3.23Å; Y836-A849 HydrophobicContact CD2-CB 3.89Å; Y836-A849 HydrophobicContact CE2-CB 4.47Å; Y836-I850 HydrophobicContact CE2-CB 4.28Å; Y836-I853 HydrophobicContact CG-CD1 4.3Å; Y836-A878 HydrophobicContact CD1-CB 4.16Å; Y836-A878 HydrophobicContact CE1-CB 3.56Å; Y836-L882 WeakPolarHBondContact OH-CD2 3.17Å |
| 837 | E | 90.1 | Very high | 92 | Very high | 110 Ų | 110 | 48.7 Ų | 48.7 | 51% | 0.514 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -74.3 | -37.1 | -178.9 | -67.1 | -165.8 | 151.3 | 0 | 0 | 113 | L833 T834 L835 R881 | L833-E837 PolarHBondContact O-N 3.32Å; L833-E837 VanDerWaalsContact O-N 3.1Å; T834-E837 PolarHBondContact O-N 2.87Å; T834-E837 VanDerWaalsContact O-N 3.11Å; L835-E837 VanDerWaalsContact C-N 3.32Å; E837-R881 IonicContact OE1-NH1 2.63Å |
| 838 | E | 90.3 | Very high | 91.8 | Very high | 159 Ų | 159 | 49.4 Ų | 49.4 | 74% | 0.743 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -94.6 | -36.4 | -171.6 | -65.4 | -175.8 | 166.5 | 0 | 0 | 114.1 | T834 | T834-E838 HydrophobicContact CG2-CG 4.34Å; T834-E838 WeakPolarHBondContact O-CB 3.31Å; T834-E838 WeakPolarHBondContact O-CG 3.36Å; T834-E838 PolarHBondContact O-N 2.86Å |
| 839 | A | 88 | Confident | 91.6 | Very high | 43 Ų | 43 | 49.7 Ų | 49.7 | 36% | 0.355 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.8 | -28.9 | -167.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | S799 L835 S841 | S799-A839 VanDerWaalsContact CB-CB 3.45Å; L835-A839 WeakPolarHBondContact O-CA 3.14Å; L835-A839 WeakPolarHBondContact O-CB 3.44Å; L835-A839 PolarHBondContact O-N 3.36Å; A839-S841 PolarHBondContact O-N 3.24Å |
| 840 | V | 87.1 | Confident | 91.5 | Very high | 9 Ų | 9 | 49.8 Ų | 49.8 | 6% | 0.055 | 27% | 0.272 | C | S | . | . | trans | -87.8 | 93.6 | -177.4 | -171.5 | 0 | 0 | 0 | 0 | 110.1 | L803 L835 A845 Q846 | L803-V840 HydrophobicContact CD1-CG2 4.22Å; L835-V840 PolarHBondContact O-N 3.2Å; V840-A845 HydrophobicContact CG1-CB 3.65Å; V840-Q846 HydrophobicContact CB-CG 4.38Å; V840-Q846 HydrophobicContact CG1-CG 3.85Å; V840-Q846 VanDerWaalsContact O-CG 3.28Å; V840-Q846 WeakPolarHBondContact O-CG 3.08Å; V840-Q846 PolarHBondContact O-NE2 3.27Å | ||
| 841 | S | 85.8 | Confident | 91.4 | Very high | 111 Ų | 111 | 50.7 Ų | 50.7 | 78% | 0.776 | 28% | 0.281 | S | S | * | . | trans | -90.8 | -27.1 | -179.1 | 59.5 | 0 | 0 | 0 | 0 | 114.5 | A839 | A839-S841 PolarHBondContact O-N 3.24Š| ||
| 842 | D | 89.3 | Confident | 91.2 | Very high | 85 Ų | 85 | 50.6 Ų | 50.6 | 46% | 0.455 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -71.7 | 132.4 | -178.3 | 175.4 | 61.5 | 0 | 0 | 0 | 111.8 | H844 A845 Q846 | D842-H844 VanDerWaalsContact C-N 3.32Å; D842-H844 PolarHBondContact O-N 3.46Å; D842-H844 WeakPolarHBondContact OD2-CA 3.47Å; D842-H844 VanDerWaalsContact OD2-CB 3.3Å; D842-H844 WeakPolarHBondContact OD2-CB 3.49Å; D842-H844 PolarHBondContact OD2-N 3.36Å; D842-A845 HydrophobicContact CB-CB 4Å; D842-A845 PolarHBondContact O-N 3.14Å; D842-A845 PolarHBondContact OD2-N 3.45Å; D842-Q846 WeakPolarHBondContact O-CB 3.25Å; D842-Q846 VanDerWaalsContact O-CG 3.29Å; D842-Q846 WeakPolarHBondContact O-CG 3.46Å; D842-Q846 PolarHBondContact O-N 3.09Å |
| 843 | S | 89.4 | Confident | 91.1 | Very high | 26 Ų | 26 | 50.6 Ų | 50.6 | 18% | 0.182 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -64.1 | -33.4 | -174.7 | 61.9 | 0 | 0 | 0 | 0 | 113.6 | V847 | S843-V847 WeakPolarHBondContact O-CG2 3.48Å; S843-V847 PolarHBondContact O-N 2.93Å |
| 844 | H | 89.3 | Confident | 91 | Very high | 123 Ų | 123 | 50.2 Ų | 50.2 | 57% | 0.569 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -74.7 | -46 | 178.2 | -174 | -87.2 | 0 | 0 | 0 | 110.2 | D842 Q846 V847 E848 | D842-H844 VanDerWaalsContact C-N 3.32Å; D842-H844 PolarHBondContact O-N 3.46Å; D842-H844 WeakPolarHBondContact OD2-CA 3.47Å; D842-H844 VanDerWaalsContact OD2-CB 3.3Å; D842-H844 WeakPolarHBondContact OD2-CB 3.49Å; D842-H844 PolarHBondContact OD2-N 3.36Å; H844-Q846 VanDerWaalsContact C-N 3.26Å; H844-Q846 PolarHBondContact O-N 2.7Å; H844-V847 PolarHBondContact O-N 2.89Å; H844-V847 VanDerWaalsContact O-N 3.08Å; H844-E848 IonicContact CE1-OE1 3.41Å; H844-E848 PolarHBondContact CE1-OE1 2.94Å; H844-E848 IonicContact ND1-OE1 3.05Å; H844-E848 PolarHBondContact ND1-OE1 3.34Å; H844-E848 PolarHBondContact O-N 3.46Å |
| 845 | A | 89.3 | Confident | 90.7 | Very high | 10 Ų | 10 | 50.2 Ų | 50.2 | 8% | 0.083 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -58 | -37.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | V840 D842 V847 E848 A849 | V840-A845 HydrophobicContact CG1-CB 3.65Å; D842-A845 HydrophobicContact CB-CB 4Å; D842-A845 PolarHBondContact O-N 3.14Å; D842-A845 PolarHBondContact OD2-N 3.45Å; A845-V847 PolarHBondContact O-N 2.82Å; A845-E848 PolarHBondContact O-N 2.91Å; A845-A849 WeakPolarHBondContact O-CB 3.45Å; A845-A849 PolarHBondContact O-N 3.28Å |
| 846 | Q | 92 | Very high | 90.6 | Very high | 41 Ų | 41 | 49.8 Ų | 49.8 | 19% | 0.192 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61.9 | -41.8 | 174.4 | -76.7 | 178.2 | -11.2 | 0 | 0 | 112.6 | Y836 V840 D842 H844 I850 L882 | Y836-Q846 HydrophobicContact CE2-CB 3.94Å; Y836-Q846 HydrophobicContact CE2-CG 4.06Å; Y836-Q846 WeakPolarHBondContact CE2-O 3.23Å; V840-Q846 HydrophobicContact CB-CG 4.38Å; V840-Q846 HydrophobicContact CG1-CG 3.85Å; V840-Q846 VanDerWaalsContact O-CG 3.28Å; V840-Q846 WeakPolarHBondContact O-CG 3.08Å; V840-Q846 PolarHBondContact O-NE2 3.27Å; D842-Q846 WeakPolarHBondContact O-CB 3.25Å; D842-Q846 VanDerWaalsContact O-CG 3.29Å; D842-Q846 WeakPolarHBondContact O-CG 3.46Å; D842-Q846 PolarHBondContact O-N 3.09Å; H844-Q846 VanDerWaalsContact C-N 3.26Å; H844-Q846 PolarHBondContact O-N 2.7Å; Q846-I850 WeakPolarHBondContact O-CB 3.43Å; Q846-I850 WeakPolarHBondContact O-CG2 3.24Å; Q846-I850 PolarHBondContact O-N 3.3Å; Q846-L882 HydrophobicContact CB-CD2 3.77Å |
| 847 | V | 91.5 | Very high | 90.5 | Very high | 45 Ų | 45 | 50 Ų | 50 | 27% | 0.273 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -66.9 | -42.3 | 178.5 | 173.9 | 0 | 0 | 0 | 0 | 111 | S843 H844 A845 I850 A851 L882 D887 | S843-V847 WeakPolarHBondContact O-CG2 3.48Å; S843-V847 PolarHBondContact O-N 2.93Å; H844-V847 PolarHBondContact O-N 2.89Å; H844-V847 VanDerWaalsContact O-N 3.08Å; A845-V847 PolarHBondContact O-N 2.82Å; V847-I850 VanDerWaalsContact O-CG2 3.32Å; V847-I850 WeakPolarHBondContact O-CG2 3.35Å; V847-A851 WeakPolarHBondContact O-CB 3.44Å; V847-A851 PolarHBondContact O-N 3.39Å; V847-A851 VanDerWaalsContact O-N 3.09Å; V847-L882 HydrophobicContact CG2-CD1 4.18Å; V847-L882 HydrophobicContact CG2-CD2 4.21Å; V847-D887 HydrophobicContact CG2-CB 3.82Å |
| 848 | E | 90.8 | Very high | 90.3 | Very high | 92 Ų | 92 | 48.3 Ų | 48.3 | 43% | 0.43 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -64.8 | -45.6 | 175.1 | -68.9 | -171.7 | 172.1 | 0 | 0 | 112.1 | R804 H844 A845 I850 A851 L852 | R804-E848 IonicContact NH2-OE2 3.45Å; H844-E848 IonicContact CE1-OE1 3.41Å; H844-E848 PolarHBondContact CE1-OE1 2.94Å; H844-E848 IonicContact ND1-OE1 3.05Å; H844-E848 PolarHBondContact ND1-OE1 3.34Å; H844-E848 PolarHBondContact O-N 3.46Å; A845-E848 PolarHBondContact O-N 2.91Å; E848-I850 PolarHBondContact O-N 3.05Å; E848-A851 PolarHBondContact O-N 3.39Å; E848-L852 WeakPolarHBondContact O-CB 3.47Å; E848-L852 PolarHBondContact O-N 3.39Å |
| 849 | A | 92.8 | Very high | 90.1 | Very high | 9 Ų | 9 | 43.7 Ų | 43.7 | 7% | 0.074 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -62 | -45 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | L803 Y836 A845 A851 L852 I853 | L803-A849 HydrophobicContact CD1-CB 4.22Å; L803-A849 HydrophobicContact CD2-CB 4.35Å; Y836-A849 HydrophobicContact CD2-CB 3.89Å; Y836-A849 HydrophobicContact CE2-CB 4.47Å; A845-A849 WeakPolarHBondContact O-CB 3.45Å; A845-A849 PolarHBondContact O-N 3.28Å; A849-A851 PolarHBondContact O-N 3.19Å; A849-L852 PolarHBondContact O-N 3.12Å; A849-I853 VanDerWaalsContact O-CG1 3.24Å; A849-I853 WeakPolarHBondContact O-CG1 3.33Å; A849-I853 PolarHBondContact O-N 2.87Å |
| 850 | I | 94 | Very high | 90.1 | Very high | 2 Ų | 2 | 41.8 Ų | 41.8 | 1% | 0.01 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -68.6 | -35.8 | 179.2 | -162.7 | 62.2 | 0 | 0 | 0 | 112 | Y836 Q846 V847 E848 L852 I853 T854 A878 A879 L882 A891 | Y836-I850 HydrophobicContact CE2-CB 4.28Å; Q846-I850 WeakPolarHBondContact O-CB 3.43Å; Q846-I850 WeakPolarHBondContact O-CG2 3.24Å; Q846-I850 PolarHBondContact O-N 3.3Å; V847-I850 VanDerWaalsContact O-CG2 3.32Å; V847-I850 WeakPolarHBondContact O-CG2 3.35Å; E848-I850 PolarHBondContact O-N 3.05Å; I850-L852 VanDerWaalsContact C-N 3.32Å; I850-I853 PolarHBondContact O-N 3.33Å; I850-T854 VanDerWaalsContact O-CB 3.3Å; I850-T854 WeakPolarHBondContact O-CB 3.42Å; I850-T854 PolarHBondContact O-N 2.67Å; I850-T854 PolarHBondContact O-OG1 3.37Å; I850-A878 HydrophobicContact CD1-CB 3.67Å; I850-A879 HydrophobicContact CG1-CB 4.04Å; I850-L882 HydrophobicContact CG2-CD1 4.24Å; I850-A891 HydrophobicContact CG2-CB 4.06Å |
| 851 | A | 91.5 | Very high | 89.9 | Confident | 53 Ų | 53 | 43.7 Ų | 43.7 | 44% | 0.438 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -62.8 | -42.9 | 173 | 0 | 0 | 0 | 0 | 0 | 110.6 | V847 E848 A849 T854 S855 | V847-A851 WeakPolarHBondContact O-CB 3.44Å; V847-A851 PolarHBondContact O-N 3.39Å; V847-A851 VanDerWaalsContact O-N 3.09Å; E848-A851 PolarHBondContact O-N 3.39Å; A849-A851 PolarHBondContact O-N 3.19Å; A851-T854 PolarHBondContact O-N 3.13Å; A851-S855 WeakPolarHBondContact O-CB 3.42Å; A851-S855 PolarHBondContact O-N 2.98Å; A851-S855 PolarHBondContact O-OG 3.48Å |
| 852 | L | 92.5 | Very high | 89.8 | Confident | 59 Ų | 59 | 39.4 Ų | 39.4 | 31% | 0.309 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -64.1 | -46.2 | 177.1 | -170.8 | 63.3 | 0 | 0 | 0 | 111.7 | L803 R804 L807 E848 A849 I850 S855 T856 | L803-L852 HydrophobicContact CD2-CD2 4.45Å; R804-L852 HydrophobicContact CB-CD2 4.44Å; R804-L852 HydrophobicContact CG-CD2 3.79Å; L807-L852 HydrophobicContact CD1-CB 4.26Å; L807-L852 HydrophobicContact CD1-CD2 3.83Å; L807-L852 HydrophobicContact CD1-CG 3.7Å; E848-L852 WeakPolarHBondContact O-CB 3.47Å; E848-L852 PolarHBondContact O-N 3.39Å; A849-L852 PolarHBondContact O-N 3.12Å; I850-L852 VanDerWaalsContact C-N 3.32Å; L852-S855 PolarHBondContact O-N 2.66Å; L852-S855 PolarHBondContact O-OG 3.42Å; L852-T856 WeakPolarHBondContact O-CB 3.28Å; L852-T856 PolarHBondContact O-N 3.43Å; L852-T856 PolarHBondContact O-OG1 3.46Å |
| 853 | I | 94.1 | Very high | 89.6 | Confident | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -60.8 | -47.6 | 176.7 | -67.5 | 164.8 | 0 | 0 | 0 | 110.6 | L807 L833 Y836 A849 I850 S855 T856 L857 | L807-I853 HydrophobicContact CD1-CB 4.49Å; L807-I853 HydrophobicContact CD1-CG1 3.67Å; L807-I853 HydrophobicContact CD2-CG1 4.17Å; L833-I853 HydrophobicContact CD2-CD1 4.16Å; L833-I853 HydrophobicContact CD2-CG2 4Å; L833-I853 HydrophobicContact CG-CG2 4.39Å; Y836-I853 HydrophobicContact CG-CD1 4.3Å; A849-I853 VanDerWaalsContact O-CG1 3.24Å; A849-I853 WeakPolarHBondContact O-CG1 3.33Å; A849-I853 PolarHBondContact O-N 2.87Å; I850-I853 PolarHBondContact O-N 3.33Å; I853-S855 VanDerWaalsContact C-N 3.34Å; I853-S855 PolarHBondContact O-N 3.39Å; I853-T856 PolarHBondContact O-N 3.3Å; I853-L857 HydrophobicContact CG2-CD1 3.98Å; I853-L857 WeakPolarHBondContact O-CB 3.49Å; I853-L857 PolarHBondContact O-N 3.1Å |
| 854 | T | 91.6 | Very high | 89.2 | Confident | 8 Ų | 8 | 38.4 Ų | 38.4 | 5% | 0.049 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -59.2 | -46.3 | 178.3 | -55.6 | 0 | 0 | 0 | 0 | 110.7 | I850 A851 T856 L857 Y858 C875 A894 L898 | I850-T854 VanDerWaalsContact O-CB 3.3Å; I850-T854 WeakPolarHBondContact O-CB 3.42Å; I850-T854 PolarHBondContact O-N 2.67Å; I850-T854 PolarHBondContact O-OG1 3.37Å; A851-T854 PolarHBondContact O-N 3.13Å; T854-T856 VanDerWaalsContact C-N 3.3Å; T854-T856 PolarHBondContact O-N 3.42Å; T854-L857 PolarHBondContact O-N 2.93Å; T854-Y858 WeakPolarHBondContact O-CB 3.3Å; T854-Y858 PolarHBondContact O-N 3.48Å; T854-C875 PolarHBondContact OG1-SG 3.3Å; T854-A894 HydrophobicContact CG2-CB 4.34Å; T854-L898 HydrophobicContact CG2-CD1 4.21Å; T854-L898 HydrophobicContact CG2-CD2 4.26Å; T854-L898 HydrophobicContact CG2-CG 4.11Å; T854-L898 WeakPolarHBondContact O-CD2 3.44Å |
| 855 | S | 88.3 | Confident | 88.8 | Confident | 46 Ų | 46 | 35.1 Ų | 35.1 | 32% | 0.322 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -68.1 | -30.2 | 179.7 | 74.8 | 0 | 0 | 0 | 0 | 113.1 | A851 L852 I853 Q859 | A851-S855 WeakPolarHBondContact O-CB 3.42Å; A851-S855 PolarHBondContact O-N 2.98Å; A851-S855 PolarHBondContact O-OG 3.48Å; L852-S855 PolarHBondContact O-N 2.66Å; L852-S855 PolarHBondContact O-OG 3.42Å; I853-S855 VanDerWaalsContact C-N 3.34Å; I853-S855 PolarHBondContact O-N 3.39Å; S855-Q859 WeakPolarHBondContact O-CG 3.32Å; S855-Q859 PolarHBondContact O-N 3.43Å; S855-Q859 PolarHBondContact O-NE2 3.33Å |
| 856 | T | 90.9 | Very high | 88.6 | Confident | 2 Ų | 2 | 41 Ų | 41 | 1% | 0.012 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -72.5 | -50 | 176.6 | -59.9 | 0 | 0 | 0 | 0 | 110.1 | L807 L811 L852 I853 T854 Y858 Q859 I860 | L807-T856 HydrophobicContact CB-CG2 4.06Å; L807-T856 HydrophobicContact CD2-CG2 3.91Å; L811-T856 HydrophobicContact CD1-CG2 4.43Å; L811-T856 HydrophobicContact CD2-CG2 3.99Å; L811-T856 HydrophobicContact CG-CG2 3.94Å; L852-T856 WeakPolarHBondContact O-CB 3.28Å; L852-T856 PolarHBondContact O-N 3.43Å; L852-T856 PolarHBondContact O-OG1 3.46Å; I853-T856 PolarHBondContact O-N 3.3Å; T854-T856 VanDerWaalsContact C-N 3.3Å; T854-T856 PolarHBondContact O-N 3.42Å; T856-Y858 PolarHBondContact O-N 3.29Å; T856-Q859 PolarHBondContact O-N 3.41Å; T856-I860 HydrophobicContact CG2-CD1 3.8Å; T856-I860 HydrophobicContact CG2-CG1 4.5Å; T856-I860 WeakPolarHBondContact O-CG1 3.06Å; T856-I860 PolarHBondContact O-N 2.93Å |
| 857 | L | 91 | Very high | 88.4 | Confident | 16 Ų | 16 | 41.7 Ų | 41.7 | 8% | 0.084 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -58.2 | -35.1 | 176.5 | -82.9 | 171.5 | 0 | 0 | 0 | 112.8 | I829 I853 T854 Q859 L863 L871 C875 L898 | I829-L857 HydrophobicContact CD1-CD2 3.9Å; I829-L857 HydrophobicContact CG2-CD2 4.03Å; I829-L857 HydrophobicContact CG2-CG 4.35Å; I853-L857 HydrophobicContact CG2-CD1 3.98Å; I853-L857 WeakPolarHBondContact O-CB 3.49Å; I853-L857 PolarHBondContact O-N 3.1Å; T854-L857 PolarHBondContact O-N 2.93Å; L857-Q859 VanDerWaalsContact C-N 3.3Å; L857-Q859 PolarHBondContact O-N 2.91Å; L857-L863 HydrophobicContact CD2-CD1 4.15Å; L857-L871 HydrophobicContact CD1-CB 4.44Å; L857-L871 HydrophobicContact CD2-CB 3.83Å; L857-L871 HydrophobicContact CD2-CD1 4.01Å; L857-C875 HydrophobicContact CD1-CB 3.67Å; L857-L898 HydrophobicContact CB-CD2 3.73Å; L857-L898 HydrophobicContact CD1-CD1 4.31Å |
| 858 | Y | 87.4 | Confident | 88.2 | Confident | 76 Ų | 76 | 40.8 Ų | 40.8 | 30% | 0.298 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -64.3 | -33.3 | 175.4 | 178.8 | -94.3 | 0 | 0 | 0 | 113.4 | T854 T856 H897 P901 T902 | T854-Y858 WeakPolarHBondContact O-CB 3.3Å; T854-Y858 PolarHBondContact O-N 3.48Å; T856-Y858 PolarHBondContact O-N 3.29Å; Y858-H897 HydrophobicContact CD2-CB 4.01Å; Y858-H897 HydrophobicContact CE2-CB 4.11Å; Y858-P901 HydrophobicContact CE2-CB 4.06Å; Y858-T902 PolarHBondContact OH-N 3.34Å; Y858-T902 PolarHBondContact OH-O 3.31Å |
| 859 | Q | 85.5 | Confident | 88.1 | Confident | 61 Ų | 61 | 38.6 Ų | 38.6 | 29% | 0.285 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -88.7 | -18.5 | -174.3 | -75 | 176.3 | 73.1 | 0 | 0 | 114.1 | L811 S855 T856 L857 N861 | L811-Q859 HydrophobicContact CD2-CB 3.67Å; S855-Q859 WeakPolarHBondContact O-CG 3.32Å; S855-Q859 PolarHBondContact O-N 3.43Å; S855-Q859 PolarHBondContact O-NE2 3.33Å; T856-Q859 PolarHBondContact O-N 3.41Å; L857-Q859 VanDerWaalsContact C-N 3.3Å; L857-Q859 PolarHBondContact O-N 2.91Å; Q859-N861 PolarHBondContact O-ND2 3.42Å |
| 860 | I | 87.9 | Confident | 88.1 | Confident | 4 Ų | 4 | 40.8 Ų | 40.8 | 2% | 0.021 | 24% | 0.244 | C | C | . | . | trans | -79.4 | 130.6 | -177.4 | -69.7 | 172.5 | 0 | 0 | 0 | 109.9 | A810 L811 D814 I825 I829 T856 L863 | A810-I860 HydrophobicContact CB-CD1 3.98Å; L811-I860 HydrophobicContact CD2-CG1 4.13Å; D814-I860 HydrophobicContact CB-CG1 4.48Å; I825-I860 HydrophobicContact CG2-CD1 3.88Å; I825-I860 HydrophobicContact CG2-CG2 3.94Å; I829-I860 HydrophobicContact CD1-CD1 3.47Å; I829-I860 VanDerWaalsContact CD1-CD1 3.47Å; I829-I860 HydrophobicContact CG1-CD1 4.18Å; T856-I860 HydrophobicContact CG2-CD1 3.8Å; T856-I860 HydrophobicContact CG2-CG1 4.5Å; T856-I860 WeakPolarHBondContact O-CG1 3.06Å; T856-I860 PolarHBondContact O-N 2.93Å; I860-L863 HydrophobicContact CB-CD1 4.36Å; I860-L863 HydrophobicContact CG2-CD1 3.64Å; I860-L863 HydrophobicContact CG2-CG 3.69Å | ||
| 861 | N | 83.2 | Confident | 88.1 | Confident | 48 Ų | 48 | 40.9 Ų | 40.9 | 26% | 0.257 | 24% | 0.244 | S | C | . | . | trans | -110.6 | -22.1 | -171.8 | -55.8 | -68.4 | 0 | 0 | 0 | 113.3 | D814 Q859 L863 L937 Y941 | D814-N861 PolarHBondContact OD1-N 3Å; D814-N861 PolarHBondContact OD2-ND2 3.22Å; D814-N861 VanDerWaalsContact OD2-ND2 3.07Å; Q859-N861 PolarHBondContact O-ND2 3.42Å; N861-L863 VanDerWaalsContact C-N 3.32Å; N861-L863 PolarHBondContact O-N 2.82Å; N861-L937 VanDerWaalsContact OD1-CD1 3.29Å; N861-L937 WeakPolarHBondContact OD1-CD1 3.47Å; N861-Y941 WeakPolarHBondContact CA-OH 3.43Å; N861-Y941 PolarHBondContact O-OH 3.48Å; N861-Y941 VanDerWaalsContact O-OH 3.04Å | ||
| 862 | C | 84.5 | Confident | 88.1 | Confident | 22 Ų | 22 | 39.8 Ų | 39.8 | 15% | 0.149 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -78.5 | -11.2 | -174.6 | 84 | 0 | 0 | 0 | 0 | 114.6 | D814 Q821 I825 | D814-C862 PolarHBondContact OD1-N 3.08Å; D814-C862 VanDerWaalsContact OD1-N 3.17Å; Q821-C862 HydrophobicContact CG-CB 4.36Å; I825-C862 VanDerWaalsContact CD1-SG 3.59Å |
| 863 | L | 84.7 | Confident | 88.1 | Confident | 6 Ų | 6 | 39.5 Ų | 39.5 | 3% | 0.031 | 23% | 0.23 | C | C | . | . | trans | -75.8 | 126.2 | -175.2 | -69.3 | 168.3 | 0 | 0 | 0 | 111 | E822 I825 I829 L857 I860 N861 Q868 L871 | E822-L863 HydrophobicContact CG-CD2 4.18Å; I825-L863 HydrophobicContact CG2-CD2 4.46Å; I829-L863 HydrophobicContact CD1-CD1 3.98Å; L857-L863 HydrophobicContact CD2-CD1 4.15Å; I860-L863 HydrophobicContact CB-CD1 4.36Å; I860-L863 HydrophobicContact CG2-CD1 3.64Å; I860-L863 HydrophobicContact CG2-CG 3.69Å; N861-L863 VanDerWaalsContact C-N 3.32Å; N861-L863 PolarHBondContact O-N 2.82Å; L863-Q868 HydrophobicContact CB-CB 4.08Å; L863-Q868 HydrophobicContact CB-CG 4.48Å; L863-Q868 PolarHBondContact O-NE2 2.98Å; L863-L871 HydrophobicContact CD1-CD1 3.82Å; L863-L871 HydrophobicContact CD2-CD1 4.12Å | ||
| 864 | T | 80.9 | Confident | 88 | Confident | 84 Ų | 84 | 43 Ų | 43 | 52% | 0.515 | 25% | 0.246 | S | C | . | . | trans | -119.5 | 160.1 | -177.4 | 68.2 | 0 | 0 | 0 | 0 | 113 | E822 D866 N867 Q868 | E822-T864 PolarHBondContact OE1-N 2.7Å; E822-T864 PolarHBondContact OE1-OG1 3.2Å; E822-T864 PolarHBondContact OE2-OG1 3.33Å; T864-D866 PolarHBondContact O-N 3.05Å; T864-N867 PolarHBondContact O-N 3.33Å; T864-Q868 PolarHBondContact O-N 3.12Å | ||
| 865 | G | 80 | Confident | 88.2 | Confident | 54 Ų | 54 | 42.6 Ų | 42.6 | 56% | 0.557 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | 45.3 | -118.9 | 168.2 | 0 | 0 | 0 | 0 | 0 | 116 | S869 | G865-S869 PolarHBondContact O-N 3.16Å |
| 866 | D | 84.8 | Confident | 88.4 | Confident | 132 Ų | 132 | 41 Ų | 41 | 71% | 0.706 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -69 | -38.1 | -172.4 | -66 | -22.8 | 0 | 0 | 0 | 112.6 | T864 Q868 S869 T870 | T864-D866 PolarHBondContact O-N 3.05Å; D866-Q868 PolarHBondContact O-N 3.47Å; D866-S869 PolarHBondContact O-N 3.12Å; D866-S869 PolarHBondContact O-OG 3.16Å; D866-T870 WeakPolarHBondContact O-CB 3.28Å; D866-T870 PolarHBondContact O-N 3.48Å; D866-T870 PolarHBondContact O-OG1 3.22Å |
| 867 | N | 88.9 | Confident | 88.6 | Confident | 56 Ų | 56 | 47.1 Ų | 47.1 | 30% | 0.299 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -60.2 | -48.6 | 179.6 | -72.3 | -24.8 | 0 | 0 | 0 | 110.9 | E822 Y826 T864 T870 L871 | E822-N867 PolarHBondContact OE1-ND2 2.98Å; Y826-N867 HydrophobicContact CD2-CB 3.74Å; Y826-N867 HydrophobicContact CE2-CB 3.96Å; T864-N867 PolarHBondContact O-N 3.33Å; N867-T870 PolarHBondContact O-N 3.09Å; N867-L871 WeakPolarHBondContact O-CG 3.47Å; N867-L871 PolarHBondContact O-N 3.23Å |
| 868 | Q | 87.7 | Confident | 88.7 | Confident | 27 Ų | 27 | 46.4 Ų | 46.4 | 13% | 0.126 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63.2 | -45.8 | 177.5 | -175.8 | 177.3 | 71.6 | 0 | 0 | 111.8 | L863 T864 D866 T870 L871 R872 | L863-Q868 HydrophobicContact CB-CB 4.08Å; L863-Q868 HydrophobicContact CB-CG 4.48Å; L863-Q868 PolarHBondContact O-NE2 2.98Å; T864-Q868 PolarHBondContact O-N 3.12Å; D866-Q868 PolarHBondContact O-N 3.47Å; Q868-T870 VanDerWaalsContact C-N 3.26Å; Q868-T870 PolarHBondContact O-N 3.19Å; Q868-L871 PolarHBondContact O-N 2.89Å; Q868-R872 HydrophobicContact CG-CG 4.42Å; Q868-R872 WeakPolarHBondContact O-CB 3.34Å; Q868-R872 VanDerWaalsContact O-CG 3.25Å; Q868-R872 WeakPolarHBondContact O-CG 3.44Å; Q868-R872 PolarHBondContact O-N 3.03Å |
| 869 | S | 89 | Confident | 89.1 | Confident | 46 Ų | 46 | 42.8 Ų | 42.8 | 32% | 0.322 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -60.5 | -38 | 178.8 | 77.3 | 0 | 0 | 0 | 0 | 112.3 | G865 D866 T873 | G865-S869 PolarHBondContact O-N 3.16Å; D866-S869 PolarHBondContact O-N 3.12Å; D866-S869 PolarHBondContact O-OG 3.16Å; S869-T873 WeakPolarHBondContact O-CB 3.48Å; S869-T873 PolarHBondContact O-N 3.39Å; S869-T873 PolarHBondContact O-OG1 3.25Å |
| 870 | T | 92.3 | Very high | 89.5 | Confident | 54 Ų | 54 | 40.1 Ų | 40.1 | 33% | 0.331 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -65.6 | -52.9 | 178.7 | -59.7 | 0 | 0 | 0 | 0 | 110.8 | D866 N867 Q868 R872 T873 Q874 | D866-T870 WeakPolarHBondContact O-CB 3.28Å; D866-T870 PolarHBondContact O-N 3.48Å; D866-T870 PolarHBondContact O-OG1 3.22Å; N867-T870 PolarHBondContact O-N 3.09Å; Q868-T870 VanDerWaalsContact C-N 3.26Å; Q868-T870 PolarHBondContact O-N 3.19Å; T870-R872 PolarHBondContact O-N 2.87Å; T870-T873 PolarHBondContact O-N 3.13Å; T870-Q874 HydrophobicContact CG2-CG 4.44Å; T870-Q874 WeakPolarHBondContact O-CG 3.29Å; T870-Q874 PolarHBondContact O-N 2.99Å |
| 871 | L | 93.3 | Very high | 89.8 | Confident | 4 Ų | 4 | 48.2 Ų | 48.2 | 2% | 0.021 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -63.5 | -39.6 | -178.8 | -67.4 | 176.1 | 0 | 0 | 0 | 112.3 | Y826 I829 L833 L857 L863 N867 Q868 T873 Q874 C875 | Y826-L871 HydrophobicContact CD2-CD1 3.66Å; Y826-L871 HydrophobicContact CD2-CD2 4.3Å; Y826-L871 HydrophobicContact CD2-CG 3.96Å; Y826-L871 HydrophobicContact CE2-CD1 4.01Å; Y826-L871 HydrophobicContact CE2-CD2 3.97Å; Y826-L871 HydrophobicContact CE2-CG 3.76Å; I829-L871 HydrophobicContact CB-CD1 4.29Å; I829-L871 HydrophobicContact CB-CD2 4.49Å; I829-L871 HydrophobicContact CD1-CD1 3.97Å; I829-L871 HydrophobicContact CG2-CD1 4.15Å; I829-L871 HydrophobicContact CG2-CD2 3.99Å; L833-L871 HydrophobicContact CD1-CD2 3.86Å; L857-L871 HydrophobicContact CD1-CB 4.44Å; L857-L871 HydrophobicContact CD2-CB 3.83Å; L857-L871 HydrophobicContact CD2-CD1 4.01Å; L863-L871 HydrophobicContact CD1-CD1 3.82Å; L863-L871 HydrophobicContact CD2-CD1 4.12Å; N867-L871 WeakPolarHBondContact O-CG 3.47Å; N867-L871 PolarHBondContact O-N 3.23Å; Q868-L871 PolarHBondContact O-N 2.89Å; L871-T873 PolarHBondContact O-N 3.47Å; L871-Q874 PolarHBondContact O-N 2.99Å; L871-C875 VanDerWaalsContact O-CB 3.31Å; L871-C875 WeakPolarHBondContact O-CB 3.47Å; L871-C875 PolarHBondContact O-N 3.05Å |
| 872 | R | 91.7 | Very high | 90.3 | Very high | 30 Ų | 30 | 46 Ų | 46 | 11% | 0.113 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -60 | -46.4 | 174 | -71.6 | -167.7 | -72.3 | -175.5 | -4.2 | 111.9 | Q868 T870 C875 T876 L898 Y899 L945 | Q868-R872 HydrophobicContact CG-CG 4.42Å; Q868-R872 WeakPolarHBondContact O-CB 3.34Å; Q868-R872 VanDerWaalsContact O-CG 3.25Å; Q868-R872 WeakPolarHBondContact O-CG 3.44Å; Q868-R872 PolarHBondContact O-N 3.03Å; T870-R872 PolarHBondContact O-N 2.87Å; R872-C875 PolarHBondContact O-N 3.17Å; R872-T876 WeakPolarHBondContact O-CB 3.35Å; R872-T876 PolarHBondContact O-N 3.13Å; R872-T876 PolarHBondContact O-OG1 2.98Å; R872-L898 WeakPolarHBondContact CD-O 3.4Å; R872-L898 HydrophobicContact CG-CB 3.92Å; R872-L898 HydrophobicContact CG-CD1 4.47Å; R872-L898 PolarHBondContact NH1-O 2.8Å; R872-Y899 HydrophobicContact CB-CE1 4.43Å; R872-Y899 PolarHBondContact O-OH 3.22Å; R872-L945 PolarHBondContact NH1-O 2.89Å |
| 873 | T | 92.5 | Very high | 90.6 | Very high | 54 Ų | 54 | 51.6 Ų | 51.6 | 33% | 0.331 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -63.3 | -44.3 | 179.1 | -59.4 | 0 | 0 | 0 | 0 | 111 | S869 T870 L871 T876 R877 | S869-T873 WeakPolarHBondContact O-CB 3.48Å; S869-T873 PolarHBondContact O-N 3.39Å; S869-T873 PolarHBondContact O-OG1 3.25Å; T870-T873 PolarHBondContact O-N 3.13Å; L871-T873 PolarHBondContact O-N 3.47Å; T873-T876 PolarHBondContact O-N 3.46Å; T873-R877 WeakPolarHBondContact O-CB 3.4Å; T873-R877 VanDerWaalsContact O-CG 3.25Å; T873-R877 WeakPolarHBondContact O-CG 3.33Å; T873-R877 PolarHBondContact O-N 3.44Å |
| 874 | Q | 92.9 | Very high | 90.9 | Very high | 73 Ų | 73 | 57.3 Ų | 57.3 | 34% | 0.341 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -66.4 | -44.7 | 178.9 | -65.5 | -64.1 | 16.6 | 0 | 0 | 112.2 | L833 T870 L871 T876 R877 A878 | L833-Q874 HydrophobicContact CD1-CB 4.25Å; T870-Q874 HydrophobicContact CG2-CG 4.44Å; T870-Q874 WeakPolarHBondContact O-CG 3.29Å; T870-Q874 PolarHBondContact O-N 2.99Å; L871-Q874 PolarHBondContact O-N 2.99Å; Q874-T876 VanDerWaalsContact C-N 3.31Å; Q874-T876 PolarHBondContact O-N 3.2Å; Q874-R877 WeakPolarHBondContact O-CB 3.48Å; Q874-R877 PolarHBondContact O-N 3.13Å; Q874-R877 VanDerWaalsContact O-N 3.14Å; Q874-A878 WeakPolarHBondContact O-CB 3.23Å; Q874-A878 PolarHBondContact O-N 2.91Å |
| 875 | C | 94.1 | Very high | 91.5 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -57.9 | -44 | 174.6 | -172.3 | 0 | 0 | 0 | 0 | 111.7 | T854 L857 L871 R872 R877 A878 A879 L898 | T854-C875 PolarHBondContact OG1-SG 3.3Å; L857-C875 HydrophobicContact CD1-CB 3.67Å; L871-C875 VanDerWaalsContact O-CB 3.31Å; L871-C875 WeakPolarHBondContact O-CB 3.47Å; L871-C875 PolarHBondContact O-N 3.05Å; R872-C875 PolarHBondContact O-N 3.17Å; C875-R877 VanDerWaalsContact C-N 3.34Å; C875-R877 PolarHBondContact O-N 3.4Å; C875-A878 PolarHBondContact O-N 3.4Å; C875-A879 WeakPolarHBondContact O-CB 3.33Å; C875-A879 PolarHBondContact O-N 3.41Å; C875-L898 HydrophobicContact CB-CD1 4.01Å |
| 876 | T | 94.1 | Very high | 92.1 | Very high | 11 Ų | 11 | 57 Ų | 57 | 7% | 0.067 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -66 | -36.8 | 177.8 | -50.5 | 0 | 0 | 0 | 0 | 111.9 | R872 T873 Q874 A880 Y899 | R872-T876 WeakPolarHBondContact O-CB 3.35Å; R872-T876 PolarHBondContact O-N 3.13Å; R872-T876 PolarHBondContact O-OG1 2.98Å; T873-T876 PolarHBondContact O-N 3.46Å; Q874-T876 VanDerWaalsContact C-N 3.31Å; Q874-T876 PolarHBondContact O-N 3.2Å; T876-A880 WeakPolarHBondContact O-CB 3.34Å; T876-A880 PolarHBondContact O-N 2.94Å; T876-A880 VanDerWaalsContact O-N 3.12Å; T876-Y899 HydrophobicContact CG2-CE2 4.44Å; T876-Y899 VanDerWaalsContact OG1-CE2 3.31Å; T876-Y899 WeakPolarHBondContact OG1-CE2 3.47Å; T876-Y899 PolarHBondContact OG1-OH 3.15Å |
| 877 | R | 94.3 | Very high | 92.6 | Very high | 132 Ų | 132 | 51.7 Ų | 51.7 | 50% | 0.498 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -66.9 | -43.9 | 175.8 | -77.3 | 173.3 | 174.8 | -165.3 | -0.3 | 111.6 | T873 Q874 C875 A880 R881 | T873-R877 WeakPolarHBondContact O-CB 3.4Å; T873-R877 VanDerWaalsContact O-CG 3.25Å; T873-R877 WeakPolarHBondContact O-CG 3.33Å; T873-R877 PolarHBondContact O-N 3.44Å; Q874-R877 WeakPolarHBondContact O-CB 3.48Å; Q874-R877 PolarHBondContact O-N 3.13Å; Q874-R877 VanDerWaalsContact O-N 3.14Å; C875-R877 VanDerWaalsContact C-N 3.34Å; C875-R877 PolarHBondContact O-N 3.4Å; R877-A880 PolarHBondContact O-N 3.5Å; R877-R881 WeakPolarHBondContact O-CG 3.41Å; R877-R881 PolarHBondContact O-N 3Å |
| 878 | A | 93.5 | Very high | 92.9 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -59.6 | -49.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y836 I850 Q874 C875 A880 R881 | Y836-A878 HydrophobicContact CD1-CB 4.16Å; Y836-A878 HydrophobicContact CE1-CB 3.56Å; I850-A878 HydrophobicContact CD1-CB 3.67Å; Q874-A878 WeakPolarHBondContact O-CB 3.23Å; Q874-A878 PolarHBondContact O-N 2.91Å; C875-A878 PolarHBondContact O-N 3.4Å; A878-A880 PolarHBondContact O-N 3.45Å; A878-R881 PolarHBondContact O-N 3.08Å |
| 879 | A | 94.7 | Very high | 93.3 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -53.8 | -39.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113 | I850 C875 R881 A891 V892 | I850-A879 HydrophobicContact CG1-CB 4.04Å; C875-A879 WeakPolarHBondContact O-CB 3.33Å; C875-A879 PolarHBondContact O-N 3.41Å; A879-R881 VanDerWaalsContact C-N 3.28Å; A879-R881 PolarHBondContact O-N 3.15Å; A879-A891 HydrophobicContact CB-CB 3.65Å; A879-V892 HydrophobicContact CB-CG2 3.99Å |
| 880 | A | 95.2 | Very high | 93.5 | Very high | 6 Ų | 6 | 52.5 Ų | 52.5 | 5% | 0.05 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -5.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | T876 R877 A878 Q888 V892 R957 F961 | T876-A880 WeakPolarHBondContact O-CB 3.34Å; T876-A880 PolarHBondContact O-N 2.94Å; T876-A880 VanDerWaalsContact O-N 3.12Å; R877-A880 PolarHBondContact O-N 3.5Å; A878-A880 PolarHBondContact O-N 3.45Å; A880-Q888 PolarHBondContact O-NE2 2.98Å; A880-V892 HydrophobicContact CB-CG2 3.89Å; A880-R957 VanDerWaalsContact CB-CZ 3.48Å; A880-F961 HydrophobicContact CB-CE2 3.97Å; A880-F961 HydrophobicContact CB-CZ 4.04Å |
| 881 | R | 93.1 | Very high | 93.6 | Very high | 174 Ų | 174 | 50.4 Ų | 50.4 | 66% | 0.657 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -102.3 | -2.8 | -179.3 | -78.9 | 177.1 | 171.2 | 176.9 | -4.4 | 114.1 | E837 R877 A878 A879 | E837-R881 IonicContact OE1-NH1 2.63Å; R877-R881 WeakPolarHBondContact O-CG 3.41Å; R877-R881 PolarHBondContact O-N 3Å; A878-R881 PolarHBondContact O-N 3.08Å; A879-R881 VanDerWaalsContact C-N 3.28Å; A879-R881 PolarHBondContact O-N 3.15Å |
| 882 | L | 93.5 | Very high | 93.7 | Very high | 2 Ų | 2 | 50.2 Ų | 50.2 | 1% | 0.01 | 22% | 0.22 | C | C | . | . | trans | -53.9 | 150.9 | 175.7 | -68.1 | 170.3 | 0 | 0 | 0 | 112 | Y836 Q846 V847 I850 R884 D887 Q888 A891 | Y836-L882 WeakPolarHBondContact OH-CD2 3.17Å; Q846-L882 HydrophobicContact CB-CD2 3.77Å; V847-L882 HydrophobicContact CG2-CD1 4.18Å; V847-L882 HydrophobicContact CG2-CD2 4.21Å; I850-L882 HydrophobicContact CG2-CD1 4.24Å; L882-R884 PolarHBondContact O-N 3.21Å; L882-D887 HydrophobicContact CD1-CB 4.05Å; L882-Q888 HydrophobicContact CB-CG 3.88Å; L882-Q888 VanDerWaalsContact O-CD 3.28Å; L882-Q888 WeakPolarHBondContact O-CG 3.4Å; L882-Q888 PolarHBondContact O-NE2 3.41Å; L882-A891 HydrophobicContact CD1-CB 3.54Å | ||
| 883 | L | 91.3 | Very high | 93.8 | Very high | 139 Ų | 139 | 49.5 Ų | 49.5 | 73% | 0.728 | 22% | 0.219 | S | C | * | . | S | Bend | trans | -65.3 | -42.5 | -174 | -178 | 63.8 | 0 | 0 | 0 | 113.6 | ||
| 884 | R | 91.9 | Very high | 93.8 | Very high | 126 Ų | 126 | 48.6 Ų | 48.6 | 48% | 0.475 | 22% | 0.218 | S | C | . | . | S | Bend | trans | -96.2 | 135.1 | -172 | -58 | 178.1 | -175.6 | 173.6 | 3.2 | 111.2 | L882 H886 D887 Q888 | L882-R884 PolarHBondContact O-N 3.21Å; R884-H886 PolarHBondContact O-N 3.03Å; R884-D887 HydrophobicContact CB-CB 4.27Å; R884-D887 WeakPolarHBondContact CB-OD2 3.47Å; R884-D887 WeakPolarHBondContact CD-OD2 3.44Å; R884-D887 PolarHBondContact O-N 3.17Å; R884-D887 VanDerWaalsContact O-N 3.16Å; R884-Q888 WeakPolarHBondContact O-CG 3.28Å; R884-Q888 PolarHBondContact O-N 2.93Å |
| 885 | K | 93 | Very high | 93.8 | Very high | 74 Ų | 74 | 45.1 Ų | 45.1 | 32% | 0.322 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -61.1 | -37.7 | -176.9 | -65 | -56.3 | -173.8 | 167.9 | 0 | 114.4 | Q888 C889 F961 E964 | K885-Q888 PolarHBondContact O-N 3.23Å; K885-C889 WeakPolarHBondContact O-CB 3.45Å; K885-C889 PolarHBondContact O-N 3.06Å; K885-F961 HydrophobicContact CD-CD1 4.45Å; K885-E964 HydrophobicContact CD-CB 4.48Å; K885-E964 WeakPolarHBondContact CE-OE2 3.26Å; K885-E964 HydrophobicContact CG-CB 4.45Å; K885-E964 IonicContact NZ-OE2 2.75Å; K885-E964 PolarHBondContact NZ-OE2 3.09Å |
| 886 | H | 93.2 | Very high | 93.7 | Very high | 56 Ų | 56 | 45.1 Ų | 45.1 | 26% | 0.259 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -68.3 | -36.7 | 176.6 | 59.3 | -93.6 | 0 | 0 | 0 | 112.3 | R884 C889 R890 V970 L974 | R884-H886 PolarHBondContact O-N 3.03Å; H886-C889 WeakPolarHBondContact O-CB 3.33Å; H886-C889 PolarHBondContact O-N 3.46Å; H886-R890 PolarHBondContact O-N 3.21Å; H886-V970 HydrophobicContact CB-CG1 3.93Å; H886-L974 HydrophobicContact CB-CD1 3.87Å; H886-L974 HydrophobicContact CB-CD2 4.28Å |
| 887 | D | 94.1 | Very high | 93.4 | Very high | 22 Ų | 22 | 47.8 Ų | 47.8 | 12% | 0.118 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -70 | -42.2 | 175.3 | -64.6 | -29.4 | 0 | 0 | 0 | 111.3 | V847 L882 R884 C889 R890 A891 | V847-D887 HydrophobicContact CG2-CB 3.82Å; L882-D887 HydrophobicContact CD1-CB 4.05Å; R884-D887 HydrophobicContact CB-CB 4.27Å; R884-D887 WeakPolarHBondContact CB-OD2 3.47Å; R884-D887 WeakPolarHBondContact CD-OD2 3.44Å; R884-D887 PolarHBondContact O-N 3.17Å; R884-D887 VanDerWaalsContact O-N 3.16Å; D887-C889 VanDerWaalsContact C-N 3.29Å; D887-C889 PolarHBondContact O-N 3.45Å; D887-R890 PolarHBondContact O-N 3.05Å; D887-A891 VanDerWaalsContact O-CB 3.28Å; D887-A891 WeakPolarHBondContact O-CB 3.37Å; D887-A891 PolarHBondContact O-N 3.43Å |
| 888 | Q | 95.5 | Very high | 93.2 | Very high | 18 Ų | 18 | 41.9 Ų | 41.9 | 8% | 0.084 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -54 | -46.7 | 170.8 | -70.8 | 180 | -12.8 | 0 | 0 | 111.3 | A880 L882 R884 K885 V892 F961 | A880-Q888 PolarHBondContact O-NE2 2.98Å; L882-Q888 HydrophobicContact CB-CG 3.88Å; L882-Q888 VanDerWaalsContact O-CD 3.28Å; L882-Q888 WeakPolarHBondContact O-CG 3.4Å; L882-Q888 PolarHBondContact O-NE2 3.41Å; R884-Q888 WeakPolarHBondContact O-CG 3.28Å; R884-Q888 PolarHBondContact O-N 2.93Å; K885-Q888 PolarHBondContact O-N 3.23Å; Q888-V892 WeakPolarHBondContact O-CB 3.26Å; Q888-V892 VanDerWaalsContact O-CG2 3.24Å; Q888-V892 WeakPolarHBondContact O-CG2 3.39Å; Q888-V892 PolarHBondContact O-N 2.89Å; Q888-F961 HydrophobicContact CB-CB 4.47Å; Q888-F961 HydrophobicContact CB-CD2 3.72Å; Q888-F961 HydrophobicContact CB-CE2 3.96Å; Q888-F961 HydrophobicContact CB-CG 4.05Å; Q888-F961 HydrophobicContact CB-CZ 4.49Å; Q888-F961 VanDerWaalsContact OE1-CD1 3.31Å; Q888-F961 VanDerWaalsContact OE1-CE1 3.31Å |
| 889 | C | 95.6 | Very high | 93.1 | Very high | 2 Ų | 2 | 42.9 Ų | 42.9 | 1% | 0.014 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -59.4 | -52.9 | 178.5 | -176.1 | 0 | 0 | 0 | 0 | 111.4 | K885 H886 D887 V892 C893 A958 F961 L974 | K885-C889 WeakPolarHBondContact O-CB 3.45Å; K885-C889 PolarHBondContact O-N 3.06Å; H886-C889 WeakPolarHBondContact O-CB 3.33Å; H886-C889 PolarHBondContact O-N 3.46Å; D887-C889 VanDerWaalsContact C-N 3.29Å; D887-C889 PolarHBondContact O-N 3.45Å; C889-V892 PolarHBondContact O-N 2.9Å; C889-C893 WeakPolarHBondContact O-CB 3.35Å; C889-C893 PolarHBondContact O-N 3.49Å; C889-C893 PolarHBondContact O-SG 3.02Å; C889-A958 PolarHBondContact SG-O 3.47Å; C889-A958 VanDerWaalsContact SG-O 3.37Å; C889-F961 HydrophobicContact CB-CB 4.1Å; C889-L974 HydrophobicContact CB-CD1 4.17Å; C889-L974 HydrophobicContact CB-CD2 4.11Å |
| 890 | R | 94.7 | Very high | 92.8 | Very high | 126 Ų | 126 | 43.6 Ų | 43.6 | 48% | 0.475 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -65.4 | -42.3 | -177.6 | -73.1 | 179.2 | 172.6 | 162.4 | -1.1 | 112.9 | H886 D887 C893 A894 L974 D977 | H886-R890 PolarHBondContact O-N 3.21Å; D887-R890 PolarHBondContact O-N 3.05Å; R890-C893 WeakPolarHBondContact O-CB 3.31Å; R890-C893 PolarHBondContact O-N 3.42Å; R890-A894 PolarHBondContact O-N 3.03Å; R890-L974 HydrophobicContact CG-CD2 3.91Å; R890-D977 IonicContact NE-OD2 2.94Å; R890-D977 IonicContact NH2-OD2 3.77Å |
| 891 | A | 94.2 | Very high | 92.2 | Very high | 10 Ų | 10 | 43.8 Ų | 43.8 | 8% | 0.083 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -66.9 | -38.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | I850 A879 L882 D887 A894 S895 | I850-A891 HydrophobicContact CG2-CB 4.06Å; A879-A891 HydrophobicContact CB-CB 3.65Å; L882-A891 HydrophobicContact CD1-CB 3.54Å; D887-A891 VanDerWaalsContact O-CB 3.28Å; D887-A891 WeakPolarHBondContact O-CB 3.37Å; D887-A891 PolarHBondContact O-N 3.43Å; A891-A894 PolarHBondContact O-N 3.48Å; A891-S895 PolarHBondContact O-N 3Å; A891-S895 PolarHBondContact O-OG 2.89Å |
| 892 | V | 95.7 | Very high | 91.2 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -70 | -37.9 | 174.5 | 172.5 | 0 | 0 | 0 | 0 | 111.3 | A879 A880 Q888 C889 A894 S895 T896 C954 R957 A958 F961 | A879-V892 HydrophobicContact CB-CG2 3.99Å; A880-V892 HydrophobicContact CB-CG2 3.89Å; Q888-V892 WeakPolarHBondContact O-CB 3.26Å; Q888-V892 VanDerWaalsContact O-CG2 3.24Å; Q888-V892 WeakPolarHBondContact O-CG2 3.39Å; Q888-V892 PolarHBondContact O-N 2.89Å; C889-V892 PolarHBondContact O-N 2.9Å; V892-A894 VanDerWaalsContact C-N 3.35Å; V892-A894 PolarHBondContact O-N 3.37Å; V892-S895 WeakPolarHBondContact O-CB 3.31Å; V892-S895 PolarHBondContact O-N 3.46Å; V892-T896 PolarHBondContact O-N 3.21Å; V892-T896 PolarHBondContact O-OG1 3.05Å; V892-C954 HydrophobicContact CG1-CB 4.12Å; V892-C954 WeakPolarHBondContact CG1-O 3.46Å; V892-R957 HydrophobicContact CG1-CB 4.34Å; V892-A958 HydrophobicContact CG1-CB 4.27Å; V892-F961 HydrophobicContact CG2-CE2 4.07Å |
| 893 | C | 93.7 | Very high | 90 | Very high | 14 Ų | 14 | 41 Ų | 41 | 10% | 0.095 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -56.2 | -49.5 | 169.5 | -78.2 | 0 | 0 | 0 | 0 | 111 | C889 R890 S895 T896 A958 L981 | C889-C893 WeakPolarHBondContact O-CB 3.35Å; C889-C893 PolarHBondContact O-N 3.49Å; C889-C893 PolarHBondContact O-SG 3.02Å; R890-C893 WeakPolarHBondContact O-CB 3.31Å; R890-C893 PolarHBondContact O-N 3.42Å; C893-S895 VanDerWaalsContact C-N 3.29Å; C893-S895 PolarHBondContact O-N 3.47Å; C893-T896 WeakPolarHBondContact O-CB 3.43Å; C893-T896 PolarHBondContact O-N 2.97Å; C893-T896 PolarHBondContact O-OG1 2.93Å; C893-A958 VanDerWaalsContact SG-CB 3.52Å; C893-L981 HydrophobicContact CB-CD2 3.79Å; C893-L981 WeakPolarHBondContact O-CD2 3.36Å |
| 894 | A | 91.5 | Very high | 88.6 | Confident | 36 Ų | 36 | 38.4 Ų | 38.4 | 30% | 0.298 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -59.9 | -38.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | T854 R890 A891 V892 T896 H897 | T854-A894 HydrophobicContact CG2-CB 4.34Å; R890-A894 PolarHBondContact O-N 3.03Å; A891-A894 PolarHBondContact O-N 3.48Å; V892-A894 VanDerWaalsContact C-N 3.35Å; V892-A894 PolarHBondContact O-N 3.37Å; A894-T896 PolarHBondContact O-N 3.25Å; A894-T896 VanDerWaalsContact O-N 3.14Å; A894-H897 WeakPolarHBondContact O-CB 3.25Å; A894-H897 PolarHBondContact O-CD2 3Å; A894-H897 VanDerWaalsContact O-CD2 3.31Å; A894-H897 PolarHBondContact O-N 3.48Å; A894-H897 VanDerWaalsContact O-N 3.13Å |
| 895 | S | 92.6 | Very high | 86.8 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -61.4 | -21.1 | 175.9 | -58.9 | 0 | 0 | 0 | 0 | 113.1 | A891 V892 C893 H897 L898 Y899 | A891-S895 PolarHBondContact O-N 3Å; A891-S895 PolarHBondContact O-OG 2.89Å; V892-S895 WeakPolarHBondContact O-CB 3.31Å; V892-S895 PolarHBondContact O-N 3.46Å; C893-S895 VanDerWaalsContact C-N 3.29Å; C893-S895 PolarHBondContact O-N 3.47Å; S895-H897 PolarHBondContact O-N 3.25Å; S895-L898 VanDerWaalsContact O-CB 3.26Å; S895-L898 WeakPolarHBondContact O-CB 3.47Å; S895-L898 PolarHBondContact O-N 3.42Å; S895-Y899 WeakPolarHBondContact O-CD2 3.24Å |
| 896 | T | 91.6 | Very high | 84.8 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -59.2 | -32.7 | 175.5 | -49.7 | 0 | 0 | 0 | 0 | 112 | V892 C893 A894 L898 Y899 W900 V951 L985 | V892-T896 PolarHBondContact O-N 3.21Å; V892-T896 PolarHBondContact O-OG1 3.05Å; C893-T896 WeakPolarHBondContact O-CB 3.43Å; C893-T896 PolarHBondContact O-N 2.97Å; C893-T896 PolarHBondContact O-OG1 2.93Å; A894-T896 PolarHBondContact O-N 3.25Å; A894-T896 VanDerWaalsContact O-N 3.14Å; T896-L898 PolarHBondContact O-N 2.72Å; T896-Y899 PolarHBondContact O-N 2.83Å; T896-W900 PolarHBondContact O-N 2.97Å; T896-W900 VanDerWaalsContact O-N 3.08Å; T896-V951 HydrophobicContact CG2-CB 4.13Å; T896-V951 HydrophobicContact CG2-CG1 3.69Å; T896-V951 HydrophobicContact CG2-CG2 4.05Å; T896-L985 HydrophobicContact CG2-CD1 3.56Å |
| 897 | H | 88.7 | Confident | 82.5 | Confident | 66 Ų | 66 | 49 Ų | 49 | 31% | 0.306 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -63.4 | -22.7 | 176.5 | -64.3 | -59.6 | 0 | 0 | 0 | 113.2 | Y858 A894 S895 Y899 W900 | Y858-H897 HydrophobicContact CD2-CB 4.01Å; Y858-H897 HydrophobicContact CE2-CB 4.11Å; A894-H897 WeakPolarHBondContact O-CB 3.25Å; A894-H897 PolarHBondContact O-CD2 3Å; A894-H897 VanDerWaalsContact O-CD2 3.31Å; A894-H897 PolarHBondContact O-N 3.48Å; A894-H897 VanDerWaalsContact O-N 3.13Å; S895-H897 PolarHBondContact O-N 3.25Å; H897-Y899 VanDerWaalsContact C-N 3.33Å; H897-W900 CarbonylContact O-C 3.56Å; H897-W900 VanDerWaalsContact O-C 3.29Å |
| 898 | L | 89.8 | Confident | 80.1 | Confident | 8 Ų | 8 | 57.8 Ų | 57.8 | 4% | 0.042 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -72.3 | -27.8 | 174.3 | -56.3 | 179.8 | 0 | 0 | 0 | 112.4 | T854 L857 R872 C875 S895 T896 | T854-L898 HydrophobicContact CG2-CD1 4.21Å; T854-L898 HydrophobicContact CG2-CD2 4.26Å; T854-L898 HydrophobicContact CG2-CG 4.11Å; T854-L898 WeakPolarHBondContact O-CD2 3.44Å; L857-L898 HydrophobicContact CB-CD2 3.73Å; L857-L898 HydrophobicContact CD1-CD1 4.31Å; R872-L898 WeakPolarHBondContact CD-O 3.4Å; R872-L898 HydrophobicContact CG-CB 3.92Å; R872-L898 HydrophobicContact CG-CD1 4.47Å; R872-L898 PolarHBondContact NH1-O 2.8Å; C875-L898 HydrophobicContact CB-CD1 4.01Å; S895-L898 VanDerWaalsContact O-CB 3.26Å; S895-L898 WeakPolarHBondContact O-CB 3.47Å; S895-L898 PolarHBondContact O-N 3.42Å; T896-L898 PolarHBondContact O-N 2.72Å |
| 899 | Y | 90.8 | Very high | 77.6 | Confident | 21 Ų | 21 | 61 Ų | 61 | 8% | 0.082 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -91.2 | -19.4 | 177.2 | -59.6 | -85.7 | 0 | 0 | 0 | 112.4 | R872 T876 S895 T896 H897 R946 D947 C954 | R872-Y899 HydrophobicContact CB-CE1 4.43Å; R872-Y899 PolarHBondContact O-OH 3.22Å; T876-Y899 HydrophobicContact CG2-CE2 4.44Å; T876-Y899 VanDerWaalsContact OG1-CE2 3.31Å; T876-Y899 WeakPolarHBondContact OG1-CE2 3.47Å; T876-Y899 PolarHBondContact OG1-OH 3.15Å; S895-Y899 WeakPolarHBondContact O-CD2 3.24Å; T896-Y899 PolarHBondContact O-N 2.83Å; H897-Y899 VanDerWaalsContact C-N 3.33Å; Y899-R946 WeakPolarHBondContact O-CA 3.38Å; Y899-D947 HydrophobicContact CD1-CB 4.36Å; Y899-D947 PolarHBondContact O-N 3.4Å; Y899-C954 WeakPolarHBondContact CE2-SG 3.35Å |
| 900 | W | 89.2 | Confident | 74.9 | Confident | 15 Ų | 15 | 65.8 Ų | 65.8 | 6% | 0.057 | 34% | 0.341 | C | S | . | . | S | Bend | trans | -137.4 | 77 | 176.3 | -158.1 | -85.6 | 0 | 0 | 0 | 111.1 | T896 H897 T902 R946 P948 V951 L985 C990 | T896-W900 PolarHBondContact O-N 2.97Å; T896-W900 VanDerWaalsContact O-N 3.08Å; H897-W900 CarbonylContact O-C 3.56Å; H897-W900 VanDerWaalsContact O-C 3.29Å; W900-T902 PolarHBondContact O-N 3.48Å; W900-R946 HydrophobicContact CD2-CB 4.29Å; W900-R946 HydrophobicContact CD2-CG 3.75Å; W900-R946 HydrophobicContact CE3-CB 3.73Å; W900-R946 HydrophobicContact CE3-CG 3.72Å; W900-R946 HydrophobicContact CG-CG 4.33Å; W900-R946 HydrophobicContact CH2-CB 4.12Å; W900-R946 HydrophobicContact CH2-CG 4.13Å; W900-R946 HydrophobicContact CZ2-CG 4.15Å; W900-R946 HydrophobicContact CZ3-CB 3.63Å; W900-R946 HydrophobicContact CZ3-CG 3.92Å; W900-P948 HydrophobicContact CZ3-CB 3.91Å; W900-V951 HydrophobicContact CB-CG2 3.67Å; W900-V951 HydrophobicContact CE3-CG2 4.19Å; W900-V951 HydrophobicContact CG-CG2 4.45Å; W900-L985 HydrophobicContact CB-CD2 3.66Å; W900-L985 HydrophobicContact CG-CD2 3.76Å; W900-C990 HydrophobicContact CD2-CB 4.05Å; W900-C990 HydrophobicContact CE3-CB 4.19Å; W900-C990 HydrophobicContact CH2-CB 3.87Å; W900-C990 HydrophobicContact CZ2-CB 3.72Å; W900-C990 HydrophobicContact CZ3-CB 4.11Å |
| 901 | P | 82.3 | Confident | 72.2 | Confident | 11 Ų | 11 | 68.2 Ų | 68.2 | 7% | 0.071 | 36% | 0.355 | C | S | . | . | trans | -66.7 | 132 | 176 | 25.5 | -31.8 | 0 | 0 | 0 | 110.6 | Y858 Y942 L945 | Y858-P901 HydrophobicContact CE2-CB 4.06Å; P901-Y942 HydrophobicContact CB-CD1 4.13Å; P901-Y942 HydrophobicContact CB-CE1 4.36Å; P901-Y942 HydrophobicContact CG-CD1 4.21Å; P901-L945 HydrophobicContact CG-CB 3.61Å; P901-L945 HydrophobicContact CG-CD1 4.46Å; P901-L945 HydrophobicContact CG-CD2 4.27Å; P901-L945 HydrophobicContact CG-CG 4.35Å | ||
| 902 | T | 73.2 | Confident | 69.4 | Low | 34 Ų | 34 | 72.6 Ų | 72.6 | 21% | 0.209 | 38% | 0.382 | C | S | . | . | trans | -109 | 142.7 | -179.3 | -54.2 | 0 | 0 | 0 | 0 | 109 | Y858 W900 P904 | Y858-T902 PolarHBondContact OH-N 3.34Å; Y858-T902 PolarHBondContact OH-O 3.31Å; W900-T902 PolarHBondContact O-N 3.48Å; T902-P904 WeakPolarHBondContact O-CD 3.43Å | ||
| 903 | K | 66.7 | Low | 66.5 | Low | 83 Ų | 83 | 77.6 Ų | 77.6 | 36% | 0.361 | 42% | 0.417 | S | S | . | . | trans | -57.8 | 128.5 | 175.7 | -70 | -171.2 | -179.5 | -177.5 | 0 | 109.6 | L905 D939 Y942 | K903-L905 PolarHBondContact O-N 2.92Å; K903-D939 WeakPolarHBondContact CE-OD1 3.44Å; K903-D939 VanDerWaalsContact NZ-CG 3.3Å; K903-D939 IonicContact NZ-OD1 2.76Å; K903-D939 PolarHBondContact NZ-OD1 3.31Å; K903-D939 IonicContact NZ-OD2 3.78Å; K903-D939 PolarHBondContact NZ-OD2 3.2Å; K903-Y942 HydrophobicContact CD-CE2 4.39Å; K903-Y942 HydrophobicContact CG-CD2 4.15Å; K903-Y942 HydrophobicContact CG-CE1 4.49Å; K903-Y942 HydrophobicContact CG-CE2 3.75Å | ||
| 904 | P | 62.5 | Low | 63.9 | Low | 85 Ų | 85 | 82.8 Ų | 82.8 | 55% | 0.552 | 44% | 0.443 | S | S | * | . | trans | -54.7 | 130.5 | 173.3 | -21.6 | 30.9 | 0 | 0 | 0 | 109.4 | T902 I906 | T902-P904 WeakPolarHBondContact O-CD 3.43Å; P904-I906 PolarHBondContact O-N 3.23Å | ||
| 905 | L | 55 | Low | 61.1 | Low | 170 Ų | 170 | 85.9 Ų | 85.9 | 89% | 0.89 | 46% | 0.455 | S | S | * | . | trans | -68.8 | 94.2 | 175 | -69.9 | 170.8 | 0 | 0 | 0 | 108.7 | K903 R907 | K903-L905 PolarHBondContact O-N 2.92Å; L905-R907 PolarHBondContact O-N 2.96Å | ||
| 906 | I | 50.5 | Low | 58.1 | Low | 125 Ų | 125 | 92.2 Ų | 92.2 | 64% | 0.641 | 49% | 0.487 | S | S | * | . | trans | -68.3 | 98.4 | 173.7 | -55.8 | 171.4 | 0 | 0 | 0 | 107.5 | P904 K908 | P904-I906 PolarHBondContact O-N 3.23Å; I906-K908 PolarHBondContact O-N 3.31Å | ||
| 907 | R | 45.5 | Very low | 55.1 | Low | 183 Ų | 183 | 95.2 Ų | 95.2 | 69% | 0.691 | 51% | 0.507 | S | S | * | . | trans | -69.9 | 111.3 | 168.3 | -76.2 | -176.3 | -178.4 | 175.1 | 3.6 | 108.1 | L905 G909 I910 | L905-R907 PolarHBondContact O-N 2.96Å; R907-G909 PolarHBondContact O-N 3.34Å; R907-G909 VanDerWaalsContact O-N 3.14Å; R907-I910 HydrophobicContact CB-CB 4.24Å; R907-I910 HydrophobicContact CB-CD1 3.97Å; R907-I910 HydrophobicContact CB-CG1 4.26Å; R907-I910 HydrophobicContact CG-CD1 4.48Å; R907-I910 PolarHBondContact O-N 3.28Å; R907-I910 VanDerWaalsContact O-N 3.09Å | ||
| 908 | K | 42.6 | Very low | 52.6 | Low | 207 Ų | 207 | 98.7 Ų | 98.7 | 90% | 0.9 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.1 | 121.7 | 172 | -69.6 | -173.6 | 177.8 | -177 | 0 | 109.4 | I906 | I906-K908 PolarHBondContact O-N 3.31Š|
| 909 | G | 42.6 | Very low | 49.9 | Very low | 86 Ų | 86 | 101.2 Ų | 101.2 | 89% | 0.887 | 55% | 0.548 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 96.2 | -4.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | R907 | R907-G909 PolarHBondContact O-N 3.34Å; R907-G909 VanDerWaalsContact O-N 3.14Å |
| 910 | I | 40.4 | Very low | 47.4 | Very low | 102 Ų | 102 | 102.4 Ų | 102.4 | 52% | 0.523 | 56% | 0.556 | S | S | . | * | trans | -112.4 | 111.1 | 174.9 | -58.1 | 178 | 0 | 0 | 0 | 108.4 | R907 | R907-I910 HydrophobicContact CB-CB 4.24Å; R907-I910 HydrophobicContact CB-CD1 3.97Å; R907-I910 HydrophobicContact CB-CG1 4.26Å; R907-I910 HydrophobicContact CG-CD1 4.48Å; R907-I910 PolarHBondContact O-N 3.28Å; R907-I910 VanDerWaalsContact O-N 3.09Å | ||
| 911 | K | 36.4 | Very low | 44.9 | Very low | 177 Ų | 177 | 109.3 Ų | 109.3 | 77% | 0.77 | 59% | 0.594 | S | S | * | * | trans | -64.9 | 129.5 | 171.7 | -70 | -177.4 | 178.6 | -179.3 | 0 | 108.5 | S913 | K911-S913 PolarHBondContact O-N 3.49Š| ||
| 912 | P | 37 | Very low | 42.9 | Very low | 101 Ų | 101 | 110.6 Ų | 110.6 | 66% | 0.656 | 60% | 0.6 | S | S | * | * | trans | -57.8 | 123.4 | 178 | -4.4 | 8 | 0 | 0 | 0 | 110.2 | L914 | P912-L914 PolarHBondContact O-N 3.43Š| ||
| 913 | S | 34.7 | Very low | 41.3 | Very low | 105 Ų | 105 | 112.7 Ų | 112.7 | 73% | 0.734 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.1 | 15.9 | -174.2 | -57.5 | 0 | 0 | 0 | 0 | 115.4 | K911 L915 | K911-S913 PolarHBondContact O-N 3.49Å; S913-L915 PolarHBondContact O-N 3.02Å |
| 914 | L | 38.6 | Very low | 40.1 | Very low | 123 Ų | 123 | 115 Ų | 115 | 64% | 0.644 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.8 | -11.3 | -178.4 | -93.3 | 155 | 0 | 0 | 0 | 113.8 | P912 | P912-L914 PolarHBondContact O-N 3.43Š|
| 915 | L | 33.5 | Very low | 39 | Very low | 102 Ų | 102 | 113 Ų | 113 | 53% | 0.534 | 61% | 0.611 | S | S | . | * | trans | -135.8 | 79.8 | 178.1 | -62.8 | 169.4 | 0 | 0 | 0 | 108.7 | S913 P917 | S913-L915 PolarHBondContact O-N 3.02Å; L915-P917 VanDerWaalsContact O-CD 3.25Å; L915-P917 WeakPolarHBondContact O-CD 3.36Å | ||
| 916 | I | 29.7 | Very low | 38 | Very low | 132 Ų | 132 | 107.7 Ų | 107.7 | 68% | 0.677 | 59% | 0.588 | S | S | * | * | trans | -77.5 | 107.9 | 149.6 | -59.6 | 172.9 | 0 | 0 | 0 | 103.6 | V918 | I916-V918 VanDerWaalsContact C-N 3.34Å; I916-V918 PolarHBondContact O-N 3.36Å | ||
| 917 | P | 28.2 | Very low | 37.3 | Very low | 64 Ų | 64 | 104 Ų | 104 | 42% | 0.416 | 57% | 0.571 | S | S | . | * | trans | -61.9 | 110 | 163.4 | -3.8 | 21.5 | 0 | 0 | 0 | 104.1 | L915 T919 I925 | L915-P917 VanDerWaalsContact O-CD 3.25Å; L915-P917 WeakPolarHBondContact O-CD 3.36Å; P917-T919 PolarHBondContact O-N 3.31Å; P917-I925 HydrophobicContact CB-CG2 4.49Å | ||
| 918 | V | 36.1 | Very low | 37 | Very low | 138 Ų | 138 | 98.4 Ų | 98.4 | 84% | 0.836 | 55% | 0.55 | S | S | * | * | S | Bend | trans | -63.1 | -4.2 | 176.2 | 175 | 0 | 0 | 0 | 0 | 110.8 | I916 | I916-V918 VanDerWaalsContact C-N 3.34Å; I916-V918 PolarHBondContact O-N 3.36Å |
| 919 | T | 32.2 | Very low | 36.7 | Very low | 62 Ų | 62 | 90.9 Ų | 90.9 | 38% | 0.38 | 53% | 0.527 | S | S | . | . | S | Bend | trans | -132.3 | 118.5 | 170.7 | 58.7 | 0 | 0 | 0 | 0 | 110.7 | P917 | P917-T919 PolarHBondContact O-N 3.31Š|
| 920 | D | 38.9 | Very low | 36.3 | Very low | 45 Ų | 45 | 93.7 Ų | 93.7 | 24% | 0.241 | 52% | 0.515 | C | S | . | . | trans | 81.5 | 115 | 150.2 | -53.2 | -29.8 | 0 | 0 | 0 | 118.4 | R644 Q648 N922 | R644-D920 IonicContact NH1-OD2 3.54Å; Q648-D920 PolarHBondContact NE2-OD1 3.14Å; D920-N922 HydrophobicContact CB-CB 4.22Å; D920-N922 PolarHBondContact O-N 3.13Å | ||
| 921 | N | 36.3 | Very low | 36.2 | Very low | 161 Ų | 161 | 92.7 Ų | 92.7 | 86% | 0.861 | 51% | 0.51 | S | S | * | . | trans | -66.3 | 29.6 | 161.9 | -71 | -40.6 | 0 | 0 | 0 | 112.7 | ||||
| 922 | N | 39.4 | Very low | 36.4 | Very low | 37 Ų | 37 | 87.3 Ų | 87.3 | 20% | 0.198 | 49% | 0.494 | C | S | . | . | trans | -68.9 | 123.9 | 176.9 | -105.5 | -3.3 | 0 | 0 | 0 | 109.2 | Q651 D920 E924 I925 | Q651-N922 PolarHBondContact OE1-OD1 2.91Å; D920-N922 HydrophobicContact CB-CB 4.22Å; D920-N922 PolarHBondContact O-N 3.13Å; N922-E924 PolarHBondContact O-N 3.29Å; N922-E924 VanDerWaalsContact O-N 3.16Å; N922-I925 HydrophobicContact CB-CD1 4.37Å; N922-I925 HydrophobicContact CB-CG1 4.39Å; N922-I925 WeakPolarHBondContact O-CB 3.47Å; N922-I925 PolarHBondContact O-N 3.09Å | ||
| 923 | P | 41.5 | Very low | 36.7 | Very low | 78 Ų | 78 | 90.3 Ų | 90.3 | 51% | 0.506 | 50% | 0.5 | S | S | . | . | G | 310 helix | trans | -67.5 | -11.5 | 177.8 | 26.9 | -32.3 | 0 | 0 | 0 | 113.2 | I925 S926 | P923-I925 VanDerWaalsContact C-N 3.28Å; P923-S926 VanDerWaalsContact O-CB 3.26Å; P923-S926 WeakPolarHBondContact O-CB 3.5Å; P923-S926 PolarHBondContact O-N 3.3Å |
| 924 | E | 39.7 | Very low | 37.3 | Very low | 133 Ų | 133 | 89.9 Ų | 89.9 | 62% | 0.621 | 49% | 0.493 | S | S | * | . | G | 310 helix | trans | -75 | -20.2 | 169.1 | -65.7 | -174.5 | 176.2 | 0 | 0 | 112.5 | N922 S926 T927 | N922-E924 PolarHBondContact O-N 3.29Å; N922-E924 VanDerWaalsContact O-N 3.16Å; E924-S926 VanDerWaalsContact C-N 3.31Å; E924-T927 PolarHBondContact O-OG1 2.83Å |
| 925 | I | 41.3 | Very low | 37.7 | Very low | 42 Ų | 42 | 92.2 Ų | 92.2 | 22% | 0.215 | 50% | 0.5 | C | S | . | . | G | 310 helix | trans | -90.7 | 2.8 | 170.6 | -63.9 | 178.3 | 0 | 0 | 0 | 110 | P917 N922 P923 T927 Y928 | P917-I925 HydrophobicContact CB-CG2 4.49Å; N922-I925 HydrophobicContact CB-CD1 4.37Å; N922-I925 HydrophobicContact CB-CG1 4.39Å; N922-I925 WeakPolarHBondContact O-CB 3.47Å; N922-I925 PolarHBondContact O-N 3.09Å; P923-I925 VanDerWaalsContact C-N 3.28Å; I925-T927 PolarHBondContact O-N 3.35Å; I925-Y928 HydrophobicContact CB-CD2 3.84Å; I925-Y928 HydrophobicContact CB-CE2 3.8Å; I925-Y928 HydrophobicContact CG1-CD2 4.43Å; I925-Y928 HydrophobicContact CG1-CE2 3.87Å; I925-Y928 HydrophobicContact CG2-CD2 3.19Å; I925-Y928 HydrophobicContact CG2-CE2 3.3Å; I925-Y928 HydrophobicContact CG2-CG 3.92Å; I925-Y928 WeakPolarHBondContact O-CB 3.45Å; I925-Y928 WeakPolarHBondContact O-CD2 3.42Å; I925-Y928 PolarHBondContact O-N 3.37Å |
| 926 | S | 34 | Very low | 38.7 | Very low | 59 Ų | 59 | 95.1 Ų | 95.1 | 41% | 0.413 | 51% | 0.511 | S | S | . | . | G | 310 helix | trans | -65.2 | -6.5 | 168 | 156.2 | 0 | 0 | 0 | 0 | 113 | P923 E924 Y928 A929 K930 | P923-S926 VanDerWaalsContact O-CB 3.26Å; P923-S926 WeakPolarHBondContact O-CB 3.5Å; P923-S926 PolarHBondContact O-N 3.3Å; E924-S926 VanDerWaalsContact C-N 3.31Å; S926-Y928 VanDerWaalsContact C-N 3.27Å; S926-A929 PolarHBondContact O-N 3.31Å; S926-K930 PolarHBondContact O-N 2.9Å |
| 927 | T | 35.9 | Very low | 40.2 | Very low | 47 Ų | 47 | 91.8 Ų | 91.8 | 29% | 0.288 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66.1 | -27 | 166.7 | 37.2 | 0 | 0 | 0 | 0 | 113.1 | E924 I925 A929 K930 L931 | E924-T927 PolarHBondContact O-OG1 2.83Å; I925-T927 PolarHBondContact O-N 3.35Å; T927-A929 PolarHBondContact O-N 3.11Å; T927-K930 PolarHBondContact O-N 3.19Å; T927-L931 PolarHBondContact O-N 3.44Å; T927-L931 VanDerWaalsContact O-N 3.17Å |
| 928 | Y | 37.2 | Very low | 42 | Very low | 66 Ų | 66 | 91.9 Ų | 91.9 | 26% | 0.259 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.9 | -29.5 | 178 | -68.2 | -107.9 | 0 | 0 | 0 | 111.6 | I925 S926 | I925-Y928 HydrophobicContact CB-CD2 3.84Å; I925-Y928 HydrophobicContact CB-CE2 3.8Å; I925-Y928 HydrophobicContact CG1-CD2 4.43Å; I925-Y928 HydrophobicContact CG1-CE2 3.87Å; I925-Y928 HydrophobicContact CG2-CD2 3.19Å; I925-Y928 HydrophobicContact CG2-CE2 3.3Å; I925-Y928 HydrophobicContact CG2-CG 3.92Å; I925-Y928 WeakPolarHBondContact O-CB 3.45Å; I925-Y928 WeakPolarHBondContact O-CD2 3.42Å; I925-Y928 PolarHBondContact O-N 3.37Å; S926-Y928 VanDerWaalsContact C-N 3.27Å |
| 929 | A | 36.3 | Very low | 43.5 | Very low | 49 Ų | 49 | 89.9 Ų | 89.9 | 41% | 0.405 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -80.6 | -28.2 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | S926 T927 S932 | S926-A929 PolarHBondContact O-N 3.31Å; T927-A929 PolarHBondContact O-N 3.11Å; A929-S932 PolarHBondContact O-N 3.37Å; A929-S932 VanDerWaalsContact O-N 3.14Å; A929-S932 PolarHBondContact O-OG 3.37Å |
| 930 | K | 35.2 | Very low | 45.3 | Very low | 145 Ų | 145 | 92.5 Ų | 92.5 | 63% | 0.63 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -70.4 | -29.9 | 178.7 | -75.8 | -178.6 | 176 | 177.2 | 0 | 112.9 | S926 T927 S932 E933 | S926-K930 PolarHBondContact O-N 2.9Å; T927-K930 PolarHBondContact O-N 3.19Å; K930-S932 PolarHBondContact O-N 2.87Å; K930-E933 PolarHBondContact O-N 3.13Å |
| 931 | L | 38.9 | Very low | 46.8 | Very low | 81 Ų | 81 | 92.9 Ų | 92.9 | 42% | 0.424 | 49% | 0.488 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73 | -10.9 | 172.1 | -73.9 | 158.1 | 0 | 0 | 0 | 113.2 | Y766 T927 | Y766-L931 HydrophobicContact CE1-CD2 4.24Å; T927-L931 PolarHBondContact O-N 3.44Å; T927-L931 VanDerWaalsContact O-N 3.17Å |
| 932 | S | 40.8 | Very low | 48.7 | Very low | 63 Ų | 63 | 86.4 Ų | 86.4 | 44% | 0.441 | 45% | 0.451 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.2 | 6.2 | 175.4 | 76 | 0 | 0 | 0 | 0 | 114.2 | A929 K930 T934 | A929-S932 PolarHBondContact O-N 3.37Å; A929-S932 VanDerWaalsContact O-N 3.14Å; A929-S932 PolarHBondContact O-OG 3.37Å; K930-S932 PolarHBondContact O-N 2.87Å; S932-T934 PolarHBondContact O-N 3.1Å; S932-T934 PolarHBondContact O-OG1 2.98Å |
| 933 | E | 41.5 | Very low | 50.3 | Low | 165 Ų | 165 | 89.1 Ų | 89.1 | 77% | 0.771 | 47% | 0.466 | S | S | * | . | trans | -68 | 64.3 | 149.5 | -68.7 | -178.8 | -166.2 | 0 | 0 | 107.3 | K930 E935 | K930-E933 PolarHBondContact O-N 3.13Å; E933-E935 VanDerWaalsContact C-N 3.28Å; E933-E935 PolarHBondContact O-N 3.29Å | ||
| 934 | T | 47.2 | Very low | 52 | Low | 96 Ų | 96 | 92.7 Ų | 92.7 | 59% | 0.589 | 47% | 0.473 | S | S | * | . | trans | -53.4 | 103.2 | 163.1 | 26.4 | 0 | 0 | 0 | 0 | 105 | S932 E936 | S932-T934 PolarHBondContact O-N 3.1Å; S932-T934 PolarHBondContact O-OG1 2.98Å; T934-E936 PolarHBondContact O-N 2.94Å | ||
| 935 | E | 48.3 | Very low | 53.8 | Low | 171 Ų | 171 | 87.1 Ų | 87.1 | 80% | 0.799 | 45% | 0.448 | S | S | * | . | trans | -41 | 119.4 | 163.5 | -72.1 | -178.3 | 155.5 | 0 | 0 | 106.2 | E933 L937 | E933-E935 VanDerWaalsContact C-N 3.28Å; E933-E935 PolarHBondContact O-N 3.29Å; E935-L937 PolarHBondContact O-N 3.43Å | ||
| 936 | E | 54.5 | Low | 55.9 | Low | 164 Ų | 164 | 88.1 Ų | 88.1 | 77% | 0.766 | 45% | 0.449 | S | S | * | . | trans | -56.1 | 108.2 | -178.1 | -73.1 | -172.8 | 164.3 | 0 | 0 | 107.6 | T934 S938 | T934-E936 PolarHBondContact O-N 2.94Å; E936-S938 PolarHBondContact O-N 3.05Å | ||
| 937 | L | 61.6 | Low | 58.4 | Low | 61 Ų | 61 | 88.1 Ų | 88.1 | 32% | 0.319 | 44% | 0.444 | S | S | . | . | trans | -52.7 | 129.8 | 178.3 | -75 | 160 | 0 | 0 | 0 | 108.5 | N861 E935 Y941 Y942 | N861-L937 VanDerWaalsContact OD1-CD1 3.29Å; N861-L937 WeakPolarHBondContact OD1-CD1 3.47Å; E935-L937 PolarHBondContact O-N 3.43Å; L937-Y941 HydrophobicContact CB-CD1 4.06Å; L937-Y941 HydrophobicContact CD1-CD1 4.24Å; L937-Y941 HydrophobicContact CD1-CE1 4.04Å; L937-Y941 HydrophobicContact CD2-CD1 4.06Å; L937-Y941 HydrophobicContact CD2-CE1 4.22Å; L937-Y941 HydrophobicContact CD2-CG 4.35Å; L937-Y941 HydrophobicContact CG-CD1 4.35Å; L937-Y942 HydrophobicContact CB-CD2 4.47Å; L937-Y942 HydrophobicContact CB-CE2 3.66Å; L937-Y942 WeakPolarHBondContact O-CE2 3.32Å | ||
| 938 | S | 64.3 | Low | 60.9 | Low | 66 Ų | 66 | 87.5 Ų | 87.5 | 46% | 0.462 | 44% | 0.441 | S | S | . | . | trans | -59.3 | 148 | -172 | 68.3 | 0 | 0 | 0 | 0 | 111.4 | E936 E940 Y941 Y942 | E936-S938 PolarHBondContact O-N 3.05Å; S938-E940 PolarHBondContact O-N 3.45Å; S938-E940 VanDerWaalsContact O-N 3.12Å; S938-Y941 WeakPolarHBondContact O-CB 3.41Å; S938-Y941 PolarHBondContact O-N 3.34Å; S938-Y941 PolarHBondContact OG-N 3.32Å; S938-Y942 PolarHBondContact O-N 3.46Å | ||
| 939 | D | 67.7 | Low | 63.4 | Low | 96 Ų | 96 | 91.8 Ų | 91.8 | 51% | 0.513 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -55.8 | -30.1 | 174 | -78.4 | -46.1 | 0 | 0 | 0 | 112.1 | K903 Y942 N943 | K903-D939 WeakPolarHBondContact CE-OD1 3.44Å; K903-D939 VanDerWaalsContact NZ-CG 3.3Å; K903-D939 IonicContact NZ-OD1 2.76Å; K903-D939 PolarHBondContact NZ-OD1 3.31Å; K903-D939 IonicContact NZ-OD2 3.78Å; K903-D939 PolarHBondContact NZ-OD2 3.2Å; D939-Y942 PolarHBondContact O-N 3.21Å; D939-N943 WeakPolarHBondContact O-CB 3.34Å; D939-N943 VanDerWaalsContact O-CG 3.22Å; D939-N943 PolarHBondContact O-N 3.01Å; D939-N943 PolarHBondContact O-ND2 3.11Å |
| 940 | E | 70.5 | Confident | 66 | Low | 118 Ų | 118 | 89.9 Ų | 89.9 | 55% | 0.551 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -64.6 | -37.8 | 175 | -158.3 | -168.9 | 146.7 | 0 | 0 | 112.7 | S938 N943 K944 | S938-E940 PolarHBondContact O-N 3.45Å; S938-E940 VanDerWaalsContact O-N 3.12Å; E940-N943 PolarHBondContact O-N 3.07Å; E940-K944 WeakPolarHBondContact O-CG 3.28Å; E940-K944 PolarHBondContact O-N 3.27Å; E940-K944 VanDerWaalsContact O-N 3.16Å; E940-K944 VanDerWaalsContact OE1-CE 3.26Å; E940-K944 WeakPolarHBondContact OE1-CE 3.32Å; E940-K944 IonicContact OE1-NZ 2.65Å; E940-K944 PolarHBondContact OE1-NZ 3.4Å |
| 941 | Y | 71.8 | Confident | 68.7 | Low | 53 Ų | 53 | 83 Ų | 83 | 21% | 0.208 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -59.5 | -56.7 | 175 | 175.2 | -101.8 | 0 | 0 | 0 | 109.9 | N861 L937 S938 N943 K944 L945 | N861-Y941 WeakPolarHBondContact CA-OH 3.43Å; N861-Y941 PolarHBondContact O-OH 3.48Å; N861-Y941 VanDerWaalsContact O-OH 3.04Å; L937-Y941 HydrophobicContact CB-CD1 4.06Å; L937-Y941 HydrophobicContact CD1-CD1 4.24Å; L937-Y941 HydrophobicContact CD1-CE1 4.04Å; L937-Y941 HydrophobicContact CD2-CD1 4.06Å; L937-Y941 HydrophobicContact CD2-CE1 4.22Å; L937-Y941 HydrophobicContact CD2-CG 4.35Å; L937-Y941 HydrophobicContact CG-CD1 4.35Å; S938-Y941 WeakPolarHBondContact O-CB 3.41Å; S938-Y941 PolarHBondContact O-N 3.34Å; S938-Y941 PolarHBondContact OG-N 3.32Å; Y941-N943 VanDerWaalsContact C-N 3.28Å; Y941-N943 PolarHBondContact O-N 3.38Å; Y941-K944 WeakPolarHBondContact O-CB 3.27Å; Y941-K944 PolarHBondContact O-N 2.92Å; Y941-L945 HydrophobicContact CD1-CD1 3.55Å; Y941-L945 HydrophobicContact CD2-CD1 4.11Å; Y941-L945 HydrophobicContact CE1-CD1 3.26Å; Y941-L945 HydrophobicContact CE2-CD1 3.85Å; Y941-L945 HydrophobicContact CG-CD1 3.96Å; Y941-L945 VanDerWaalsContact CZ-CD1 3.41Å; Y941-L945 WeakPolarHBondContact O-CD1 3.38Å; Y941-L945 PolarHBondContact O-N 2.87Å |
| 942 | Y | 74.5 | Confident | 71.3 | Confident | 24 Ų | 24 | 80.3 Ų | 80.3 | 9% | 0.094 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -56.7 | -40.5 | 179.3 | -71.5 | -77.8 | 0 | 0 | 0 | 112.7 | P901 K903 L937 S938 D939 K944 L945 R946 | P901-Y942 HydrophobicContact CB-CD1 4.13Å; P901-Y942 HydrophobicContact CB-CE1 4.36Å; P901-Y942 HydrophobicContact CG-CD1 4.21Å; K903-Y942 HydrophobicContact CD-CE2 4.39Å; K903-Y942 HydrophobicContact CG-CD2 4.15Å; K903-Y942 HydrophobicContact CG-CE1 4.49Å; K903-Y942 HydrophobicContact CG-CE2 3.75Å; L937-Y942 HydrophobicContact CB-CD2 4.47Å; L937-Y942 HydrophobicContact CB-CE2 3.66Å; L937-Y942 WeakPolarHBondContact O-CE2 3.32Å; S938-Y942 PolarHBondContact O-N 3.46Å; D939-Y942 PolarHBondContact O-N 3.21Å; Y942-K944 VanDerWaalsContact C-N 3.28Å; Y942-K944 PolarHBondContact O-N 3.49Å; Y942-L945 PolarHBondContact O-N 3.29Å; Y942-L945 VanDerWaalsContact O-N 3.15Å; Y942-R946 VanDerWaalsContact O-CG 3.28Å; Y942-R946 WeakPolarHBondContact O-CG 3.37Å; Y942-R946 PolarHBondContact O-N 3.48Å |
| 943 | N | 74.8 | Confident | 73.8 | Confident | 94 Ų | 94 | 80.7 Ų | 80.7 | 50% | 0.503 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -63.8 | -31.7 | 178.4 | -73.9 | -24.6 | 0 | 0 | 0 | 113.2 | D939 E940 Y941 R946 | D939-N943 WeakPolarHBondContact O-CB 3.34Å; D939-N943 VanDerWaalsContact O-CG 3.22Å; D939-N943 PolarHBondContact O-N 3.01Å; D939-N943 PolarHBondContact O-ND2 3.11Å; E940-N943 PolarHBondContact O-N 3.07Å; Y941-N943 VanDerWaalsContact C-N 3.28Å; Y941-N943 PolarHBondContact O-N 3.38Å; N943-R946 PolarHBondContact OD1-NH1 3.39Å |
| 944 | K | 77.1 | Confident | 76.3 | Confident | 153 Ų | 153 | 73 Ų | 73 | 67% | 0.665 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -70.2 | -30.6 | 174.3 | -72.5 | 171.9 | -176 | 165.8 | 0 | 112.9 | E940 Y941 Y942 | E940-K944 WeakPolarHBondContact O-CG 3.28Å; E940-K944 PolarHBondContact O-N 3.27Å; E940-K944 VanDerWaalsContact O-N 3.16Å; E940-K944 VanDerWaalsContact OE1-CE 3.26Å; E940-K944 WeakPolarHBondContact OE1-CE 3.32Å; E940-K944 IonicContact OE1-NZ 2.65Å; E940-K944 PolarHBondContact OE1-NZ 3.4Å; Y941-K944 WeakPolarHBondContact O-CB 3.27Å; Y941-K944 PolarHBondContact O-N 2.92Å; Y942-K944 VanDerWaalsContact C-N 3.28Å; Y942-K944 PolarHBondContact O-N 3.49Å |
| 945 | L | 77 | Confident | 78.5 | Confident | 16 Ų | 16 | 68.6 Ų | 68.6 | 8% | 0.084 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -78.3 | -25.5 | 178.9 | -74.7 | 119.7 | 0 | 0 | 0 | 113.9 | R872 P901 Y941 Y942 D947 | R872-L945 PolarHBondContact NH1-O 2.89Å; P901-L945 HydrophobicContact CG-CB 3.61Å; P901-L945 HydrophobicContact CG-CD1 4.46Å; P901-L945 HydrophobicContact CG-CD2 4.27Å; P901-L945 HydrophobicContact CG-CG 4.35Å; Y941-L945 HydrophobicContact CD1-CD1 3.55Å; Y941-L945 HydrophobicContact CD2-CD1 4.11Å; Y941-L945 HydrophobicContact CE1-CD1 3.26Å; Y941-L945 HydrophobicContact CE2-CD1 3.85Å; Y941-L945 HydrophobicContact CG-CD1 3.96Å; Y941-L945 VanDerWaalsContact CZ-CD1 3.41Å; Y941-L945 WeakPolarHBondContact O-CD1 3.38Å; Y941-L945 PolarHBondContact O-N 2.87Å; Y942-L945 PolarHBondContact O-N 3.29Å; Y942-L945 VanDerWaalsContact O-N 3.15Å; L945-D947 PolarHBondContact O-N 2.94Å |
| 946 | R | 84.9 | Confident | 80.7 | Confident | 63 Ų | 63 | 63.4 Ų | 63.4 | 24% | 0.238 | 32% | 0.319 | C | S | . | . | trans | -69.1 | 109.8 | -173.1 | -79.2 | 170.5 | -176.1 | -167.2 | -3.2 | 111.2 | Y899 W900 Y942 N943 P948 | Y899-R946 WeakPolarHBondContact O-CA 3.38Å; W900-R946 HydrophobicContact CD2-CB 4.29Å; W900-R946 HydrophobicContact CD2-CG 3.75Å; W900-R946 HydrophobicContact CE3-CB 3.73Å; W900-R946 HydrophobicContact CE3-CG 3.72Å; W900-R946 HydrophobicContact CG-CG 4.33Å; W900-R946 HydrophobicContact CH2-CB 4.12Å; W900-R946 HydrophobicContact CH2-CG 4.13Å; W900-R946 HydrophobicContact CZ2-CG 4.15Å; W900-R946 HydrophobicContact CZ3-CB 3.63Å; W900-R946 HydrophobicContact CZ3-CG 3.92Å; Y942-R946 VanDerWaalsContact O-CG 3.28Å; Y942-R946 WeakPolarHBondContact O-CG 3.37Å; Y942-R946 PolarHBondContact O-N 3.48Å; N943-R946 PolarHBondContact OD1-NH1 3.39Å; R946-P948 WeakPolarHBondContact O-CD 3.46Å | ||
| 947 | D | 87.3 | Confident | 82.7 | Confident | 60 Ų | 60 | 59.9 Ų | 59.9 | 32% | 0.321 | 30% | 0.299 | S | S | . | . | trans | -112.8 | 95.6 | 172 | 176.8 | 14.6 | 0 | 0 | 0 | 110 | Y899 L945 K949 G950 V951 | Y899-D947 HydrophobicContact CD1-CB 4.36Å; Y899-D947 PolarHBondContact O-N 3.4Å; L945-D947 PolarHBondContact O-N 2.94Å; D947-K949 PolarHBondContact O-N 2.69Å; D947-K949 WeakPolarHBondContact OD1-CB 3.45Å; D947-K949 PolarHBondContact OD1-N 3.33Å; D947-G950 PolarHBondContact O-N 3.29Å; D947-G950 PolarHBondContact OD1-N 3.32Å; D947-G950 PolarHBondContact OD2-N 3.41Å; D947-V951 WeakPolarHBondContact O-CG2 3.49Å; D947-V951 PolarHBondContact O-N 3.28Å; D947-V951 VanDerWaalsContact O-N 3.12Å | ||
| 948 | P | 87.8 | Confident | 84.3 | Confident | 33 Ų | 33 | 57 Ų | 57 | 21% | 0.214 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -68.2 | -25.6 | -177.4 | 31.5 | -37.5 | 0 | 0 | 0 | 112.2 | W900 R946 V951 I952 Q992 | W900-P948 HydrophobicContact CZ3-CB 3.91Å; R946-P948 WeakPolarHBondContact O-CD 3.46Å; P948-V951 WeakPolarHBondContact O-CB 3.46Å; P948-V951 PolarHBondContact O-N 3.08Å; P948-I952 WeakPolarHBondContact O-CG1 3.29Å; P948-I952 PolarHBondContact O-N 2.92Å; P948-Q992 HydrophobicContact CB-CB 4.29Å; P948-Q992 VanDerWaalsContact CB-CD 3.4Å; P948-Q992 HydrophobicContact CB-CG 3.95Å; P948-Q992 HydrophobicContact CG-CG 4.42Å; P948-Q992 PolarHBondContact O-OE1 2.88Å; P948-Q992 VanDerWaalsContact O-OE1 3.13Å |
| 949 | K | 89.8 | Confident | 85.7 | Confident | 156 Ų | 156 | 54.9 Ų | 54.9 | 68% | 0.678 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -69.3 | -42.5 | 176 | -65.5 | -179.8 | 179.9 | 176.2 | 0 | 110.7 | D947 V951 I952 S953 | D947-K949 PolarHBondContact O-N 2.69Å; D947-K949 WeakPolarHBondContact OD1-CB 3.45Å; D947-K949 PolarHBondContact OD1-N 3.33Å; K949-V951 VanDerWaalsContact C-N 3.31Å; K949-V951 PolarHBondContact O-N 2.74Å; K949-I952 PolarHBondContact O-N 3.36Å; K949-S953 WeakPolarHBondContact O-CB 3.25Å; K949-S953 PolarHBondContact O-N 3.27Å |
| 950 | G | 90.6 | Very high | 87.1 | Confident | 9 Ų | 9 | 57.2 Ų | 57.2 | 9% | 0.093 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -58.1 | -42.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | D947 S953 C954 | D947-G950 PolarHBondContact O-N 3.29Å; D947-G950 PolarHBondContact OD1-N 3.32Å; D947-G950 PolarHBondContact OD2-N 3.41Å; G950-S953 PolarHBondContact O-N 3.28Å; G950-C954 PolarHBondContact O-N 3.01Å; G950-C954 PolarHBondContact O-SG 3.17Å |
| 951 | V | 92.2 | Very high | 88.2 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -58.1 | -53.9 | 174.9 | 169.3 | 0 | 0 | 0 | 0 | 111.8 | T896 W900 D947 P948 K949 S953 C954 L955 L985 I993 | T896-V951 HydrophobicContact CG2-CB 4.13Å; T896-V951 HydrophobicContact CG2-CG1 3.69Å; T896-V951 HydrophobicContact CG2-CG2 4.05Å; W900-V951 HydrophobicContact CB-CG2 3.67Å; W900-V951 HydrophobicContact CE3-CG2 4.19Å; W900-V951 HydrophobicContact CG-CG2 4.45Å; D947-V951 WeakPolarHBondContact O-CG2 3.49Å; D947-V951 PolarHBondContact O-N 3.28Å; D947-V951 VanDerWaalsContact O-N 3.12Å; P948-V951 WeakPolarHBondContact O-CB 3.46Å; P948-V951 PolarHBondContact O-N 3.08Å; K949-V951 VanDerWaalsContact C-N 3.31Å; K949-V951 PolarHBondContact O-N 2.74Å; V951-S953 VanDerWaalsContact C-N 3.32Å; V951-S953 PolarHBondContact O-N 2.95Å; V951-C954 PolarHBondContact O-N 3.26Å; V951-C954 VanDerWaalsContact O-N 3.16Å; V951-L955 HydrophobicContact CG1-CD1 3.95Å; V951-L955 HydrophobicContact CG1-CG 4.48Å; V951-L955 WeakPolarHBondContact O-CG 3.35Å; V951-L955 PolarHBondContact O-N 2.86Å; V951-L985 HydrophobicContact CG1-CD1 3.84Å; V951-I993 HydrophobicContact CG1-CD1 4.28Å |
| 952 | I | 92.7 | Very high | 89.3 | Confident | 26 Ų | 26 | 49.9 Ų | 49.9 | 13% | 0.133 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62 | -42.5 | -178.6 | -64.7 | -62.7 | 0 | 0 | 0 | 110.9 | P948 K949 C954 L955 D956 Q992 I993 | P948-I952 WeakPolarHBondContact O-CG1 3.29Å; P948-I952 PolarHBondContact O-N 2.92Å; K949-I952 PolarHBondContact O-N 3.36Å; I952-C954 VanDerWaalsContact C-N 3.31Å; I952-C954 PolarHBondContact O-N 3.41Å; I952-L955 PolarHBondContact O-N 2.97Å; I952-D956 WeakPolarHBondContact CG2-OD2 3.21Å; I952-D956 WeakPolarHBondContact O-CB 3.44Å; I952-D956 PolarHBondContact O-N 3.35Å; I952-Q992 HydrophobicContact CD1-CB 4.28Å; I952-Q992 HydrophobicContact CG1-CB 4.02Å; I952-I993 HydrophobicContact CD1-CG1 3.94Å |
| 953 | S | 93.1 | Very high | 90.3 | Very high | 70 Ų | 70 | 54.3 Ų | 54.3 | 49% | 0.49 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -58.5 | -41.1 | 175.8 | 173.6 | 0 | 0 | 0 | 0 | 112.4 | K949 G950 V951 R957 | K949-S953 WeakPolarHBondContact O-CB 3.25Å; K949-S953 PolarHBondContact O-N 3.27Å; G950-S953 PolarHBondContact O-N 3.28Å; V951-S953 VanDerWaalsContact C-N 3.32Å; V951-S953 PolarHBondContact O-N 2.95Å; S953-R957 VanDerWaalsContact O-CB 3.25Å; S953-R957 WeakPolarHBondContact O-CB 3.29Å; S953-R957 PolarHBondContact O-N 2.8Å |
| 954 | C | 94.1 | Very high | 91.2 | Very high | 3 Ų | 3 | 54.2 Ų | 54.2 | 2% | 0.02 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -66.6 | -46.4 | 175.8 | -67.8 | 0 | 0 | 0 | 0 | 111.8 | V892 Y899 G950 V951 I952 R957 A958 | V892-C954 HydrophobicContact CG1-CB 4.12Å; V892-C954 WeakPolarHBondContact CG1-O 3.46Å; Y899-C954 WeakPolarHBondContact CE2-SG 3.35Å; G950-C954 PolarHBondContact O-N 3.01Å; G950-C954 PolarHBondContact O-SG 3.17Å; V951-C954 PolarHBondContact O-N 3.26Å; V951-C954 VanDerWaalsContact O-N 3.16Å; I952-C954 VanDerWaalsContact C-N 3.31Å; I952-C954 PolarHBondContact O-N 3.41Å; C954-R957 PolarHBondContact O-N 3.34Å; C954-A958 WeakPolarHBondContact O-CB 3.37Å; C954-A958 PolarHBondContact O-N 3.3Å |
| 955 | L | 94.4 | Very high | 91.9 | Very high | 5 Ų | 5 | 47.5 Ų | 47.5 | 3% | 0.026 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62.7 | -44.3 | 178.7 | -69.1 | 174.8 | 0 | 0 | 0 | 112.1 | V951 I952 R957 A958 A959 I978 L981 L985 I993 | V951-L955 HydrophobicContact CG1-CD1 3.95Å; V951-L955 HydrophobicContact CG1-CG 4.48Å; V951-L955 WeakPolarHBondContact O-CG 3.35Å; V951-L955 PolarHBondContact O-N 2.86Å; I952-L955 PolarHBondContact O-N 2.97Å; L955-R957 VanDerWaalsContact C-N 3.27Å; L955-R957 PolarHBondContact O-N 2.91Å; L955-A958 PolarHBondContact O-N 3.2Å; L955-A959 WeakPolarHBondContact O-CB 3.27Å; L955-A959 PolarHBondContact O-N 3.41Å; L955-I978 HydrophobicContact CD2-CG2 4.4Å; L955-L981 HydrophobicContact CD2-CD2 3.87Å; L955-L981 HydrophobicContact CD2-CG 4.26Å; L955-L985 HydrophobicContact CD1-CD1 4.26Å; L955-I993 HydrophobicContact CD1-CD1 4.06Å; L955-I993 HydrophobicContact CD1-CG1 4.39Å |
| 956 | D | 95.2 | Very high | 92.5 | Very high | 61 Ų | 61 | 54.4 Ų | 54.4 | 33% | 0.326 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -64.3 | -34.7 | 176.5 | -74.1 | -21.6 | 0 | 0 | 0 | 111.7 | I952 R960 R997 | I952-D956 WeakPolarHBondContact CG2-OD2 3.21Å; I952-D956 WeakPolarHBondContact O-CB 3.44Å; I952-D956 PolarHBondContact O-N 3.35Å; D956-R960 WeakPolarHBondContact O-CG 3.25Å; D956-R960 PolarHBondContact O-N 2.96Å; D956-R960 VanDerWaalsContact O-N 3.1Å; D956-R960 PolarHBondContact O-NE 2.67Å; D956-R997 IonicContact OD1-CZ 3.14Å; D956-R997 IonicContact OD1-NH1 2.66Å; D956-R997 PolarHBondContact OD1-NH1 2.91Å; D956-R997 IonicContact OD1-NH2 2.78Å; D956-R997 PolarHBondContact OD1-NH2 3.48Å |
| 957 | R | 94.8 | Very high | 92.7 | Very high | 91 Ų | 91 | 55.7 Ų | 55.7 | 34% | 0.343 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -70.9 | -43 | 175.1 | -168.6 | 171.7 | -171.3 | 158.9 | -0.1 | 111.8 | A880 V892 S953 C954 L955 R960 F961 | A880-R957 VanDerWaalsContact CB-CZ 3.48Å; V892-R957 HydrophobicContact CG1-CB 4.34Å; S953-R957 VanDerWaalsContact O-CB 3.25Å; S953-R957 WeakPolarHBondContact O-CB 3.29Å; S953-R957 PolarHBondContact O-N 2.8Å; C954-R957 PolarHBondContact O-N 3.34Å; L955-R957 VanDerWaalsContact C-N 3.27Å; L955-R957 PolarHBondContact O-N 2.91Å; R957-R960 WeakPolarHBondContact O-CB 3.36Å; R957-R960 PolarHBondContact O-N 3.35Å; R957-F961 HydrophobicContact CG-CD2 4.28Å; R957-F961 HydrophobicContact CG-CE2 3.68Å; R957-F961 HydrophobicContact CG-CZ 3.98Å; R957-F961 WeakPolarHBondContact O-CD2 3.43Å; R957-F961 WeakPolarHBondContact O-CG 3.45Å; R957-F961 PolarHBondContact O-N 2.83Å; R957-F961 VanDerWaalsContact O-N 3.09Å |
| 958 | A | 95.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -61.6 | -44.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | C889 V892 C893 C954 L955 R960 F961 A962 I978 | C889-A958 PolarHBondContact SG-O 3.47Å; C889-A958 VanDerWaalsContact SG-O 3.37Å; V892-A958 HydrophobicContact CG1-CB 4.27Å; C893-A958 VanDerWaalsContact SG-CB 3.52Å; C954-A958 WeakPolarHBondContact O-CB 3.37Å; C954-A958 PolarHBondContact O-N 3.3Å; L955-A958 PolarHBondContact O-N 3.2Å; A958-R960 VanDerWaalsContact C-N 3.32Å; A958-R960 PolarHBondContact O-N 3.07Å; A958-F961 PolarHBondContact O-N 3.14Å; A958-F961 VanDerWaalsContact O-N 3.13Å; A958-A962 PolarHBondContact O-N 3.26Å; A958-I978 HydrophobicContact CB-CD1 4.18Å; A958-I978 HydrophobicContact CB-CG1 4.37Å |
| 959 | A | 94.8 | Very high | 93.1 | Very high | 21 Ų | 21 | 53.9 Ų | 53.9 | 17% | 0.174 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -60.3 | -39.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | L955 A962 K963 F975 I978 | L955-A959 WeakPolarHBondContact O-CB 3.27Å; L955-A959 PolarHBondContact O-N 3.41Å; A959-A962 PolarHBondContact O-N 3.02Å; A959-K963 WeakPolarHBondContact O-CG 3Å; A959-K963 PolarHBondContact O-N 3.3Å; A959-F975 HydrophobicContact CB-CE1 4.18Å; A959-I978 HydrophobicContact CB-CD1 4.27Å |
| 960 | R | 95.7 | Very high | 93.2 | Very high | 145 Ų | 145 | 48.9 Ų | 48.9 | 55% | 0.547 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -60.7 | -47 | 172.5 | -78.2 | -179.2 | -73.5 | 174 | -3.7 | 111.9 | D956 R957 A958 A962 K963 E964 | D956-R960 WeakPolarHBondContact O-CG 3.25Å; D956-R960 PolarHBondContact O-N 2.96Å; D956-R960 VanDerWaalsContact O-N 3.1Å; D956-R960 PolarHBondContact O-NE 2.67Å; R957-R960 WeakPolarHBondContact O-CB 3.36Å; R957-R960 PolarHBondContact O-N 3.35Å; A958-R960 VanDerWaalsContact C-N 3.32Å; A958-R960 PolarHBondContact O-N 3.07Å; R960-A962 VanDerWaalsContact C-N 3.33Å; R960-A962 PolarHBondContact O-N 2.79Å; R960-K963 PolarHBondContact O-N 3.38Å; R960-E964 WeakPolarHBondContact O-CG 3.34Å; R960-E964 PolarHBondContact O-N 2.78Å; R960-E964 VanDerWaalsContact O-N 3.11Å |
| 961 | F | 94.8 | Very high | 93.4 | Very high | 18 Ų | 18 | 50.9 Ų | 50.9 | 8% | 0.079 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.4 | -38 | 177 | -64 | -37.6 | 0 | 0 | 0 | 112.8 | A880 K885 Q888 C889 V892 R957 A958 E964 C965 | A880-F961 HydrophobicContact CB-CE2 3.97Å; A880-F961 HydrophobicContact CB-CZ 4.04Å; K885-F961 HydrophobicContact CD-CD1 4.45Å; Q888-F961 HydrophobicContact CB-CB 4.47Å; Q888-F961 HydrophobicContact CB-CD2 3.72Å; Q888-F961 HydrophobicContact CB-CE2 3.96Å; Q888-F961 HydrophobicContact CB-CG 4.05Å; Q888-F961 HydrophobicContact CB-CZ 4.49Å; Q888-F961 VanDerWaalsContact OE1-CD1 3.31Å; Q888-F961 VanDerWaalsContact OE1-CE1 3.31Å; C889-F961 HydrophobicContact CB-CB 4.1Å; V892-F961 HydrophobicContact CG2-CE2 4.07Å; R957-F961 HydrophobicContact CG-CD2 4.28Å; R957-F961 HydrophobicContact CG-CE2 3.68Å; R957-F961 HydrophobicContact CG-CZ 3.98Å; R957-F961 WeakPolarHBondContact O-CD2 3.43Å; R957-F961 WeakPolarHBondContact O-CG 3.45Å; R957-F961 PolarHBondContact O-N 2.83Å; R957-F961 VanDerWaalsContact O-N 3.09Å; A958-F961 PolarHBondContact O-N 3.14Å; A958-F961 VanDerWaalsContact O-N 3.13Å; F961-E964 PolarHBondContact O-N 2.78Å; F961-C965 PolarHBondContact O-N 3.03Å |
| 962 | A | 94.7 | Very high | 93.5 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -60.4 | -46.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | A958 A959 R960 E964 C965 R971 L974 F975 I978 | A958-A962 PolarHBondContact O-N 3.26Å; A959-A962 PolarHBondContact O-N 3.02Å; R960-A962 VanDerWaalsContact C-N 3.33Å; R960-A962 PolarHBondContact O-N 2.79Å; A962-E964 VanDerWaalsContact C-N 3.27Å; A962-E964 PolarHBondContact O-N 2.69Å; A962-C965 WeakPolarHBondContact O-CB 3.06Å; A962-C965 PolarHBondContact O-N 3.22Å; A962-C965 VanDerWaalsContact O-N 3.13Å; A962-R971 WeakPolarHBondContact O-CG 3.46Å; A962-L974 HydrophobicContact CB-CB 3.9Å; A962-L974 HydrophobicContact CB-CD1 4.21Å; A962-F975 HydrophobicContact CB-CD2 4.2Å; A962-F975 HydrophobicContact CB-CE2 3.92Å; A962-F975 HydrophobicContact CB-CZ 4.16Å; A962-I978 HydrophobicContact CB-CD1 4.17Å |
| 963 | K | 94.5 | Very high | 93.5 | Very high | 116 Ų | 116 | 51.9 Ų | 51.9 | 50% | 0.504 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -59.5 | -35.2 | 177.6 | -69.6 | -176.3 | -177.8 | -168.4 | 0 | 112.9 | A959 R960 C965 F975 D1004 | A959-K963 WeakPolarHBondContact O-CG 3Å; A959-K963 PolarHBondContact O-N 3.3Å; R960-K963 PolarHBondContact O-N 3.38Å; K963-C965 VanDerWaalsContact C-N 3.29Å; K963-C965 PolarHBondContact O-N 3.16Å; K963-F975 HydrophobicContact CD-CZ 4.29Å; K963-F975 HydrophobicContact CG-CE2 4.06Å; K963-F975 HydrophobicContact CG-CZ 3.62Å; K963-D1004 IonicContact NZ-OD2 3.75Å; K963-D1004 PolarHBondContact NZ-OD2 3.22Å |
| 964 | E | 94 | Very high | 93.6 | Very high | 92 Ų | 92 | 48.6 Ų | 48.6 | 43% | 0.43 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -72.8 | -15.4 | 179 | -70.5 | 172.4 | -172.3 | 0 | 0 | 114.1 | K885 R960 F961 A962 M966 | K885-E964 HydrophobicContact CD-CB 4.48Å; K885-E964 WeakPolarHBondContact CE-OE2 3.26Å; K885-E964 HydrophobicContact CG-CB 4.45Å; K885-E964 IonicContact NZ-OE2 2.75Å; K885-E964 PolarHBondContact NZ-OE2 3.09Å; R960-E964 WeakPolarHBondContact O-CG 3.34Å; R960-E964 PolarHBondContact O-N 2.78Å; R960-E964 VanDerWaalsContact O-N 3.11Å; F961-E964 PolarHBondContact O-N 2.78Å; A962-E964 VanDerWaalsContact C-N 3.27Å; A962-E964 PolarHBondContact O-N 2.69Å; E964-M966 WeakPolarHBondContact O-CE 3.4Å; E964-M966 PolarHBondContact O-N 3.37Å |
| 965 | C | 92.1 | Very high | 93.7 | Very high | 12 Ų | 12 | 48.8 Ų | 48.8 | 8% | 0.081 | 23% | 0.234 | C | C | . | . | trans | -65.9 | 126.9 | 174.3 | -71 | 0 | 0 | 0 | 0 | 110.4 | F961 A962 K963 R971 | F961-C965 PolarHBondContact O-N 3.03Å; A962-C965 WeakPolarHBondContact O-CB 3.06Å; A962-C965 PolarHBondContact O-N 3.22Å; A962-C965 VanDerWaalsContact O-N 3.13Å; K963-C965 VanDerWaalsContact C-N 3.29Å; K963-C965 PolarHBondContact O-N 3.16Å; C965-R971 VanDerWaalsContact O-CZ 3.27Å; C965-R971 PolarHBondContact O-NE 3Å; C965-R971 VanDerWaalsContact O-NE 3.1Å; C965-R971 PolarHBondContact O-NH2 3.36Å | ||
| 966 | M | 89.2 | Confident | 93.7 | Very high | 162 Ų | 162 | 48.5 Ų | 48.5 | 80% | 0.798 | 23% | 0.233 | S | C | * | . | S | Bend | trans | -69.7 | -40.8 | -180 | -67.7 | -66.2 | 119.1 | 0 | 0 | 112.8 | E964 T968 R971 | E964-M966 WeakPolarHBondContact O-CE 3.4Å; E964-M966 PolarHBondContact O-N 3.37Å; M966-T968 PolarHBondContact O-N 2.86Å; M966-R971 PolarHBondContact O-NH2 2.86Å |
| 967 | D | 90.7 | Very high | 93.6 | Very high | 89 Ų | 89 | 47.8 Ų | 47.8 | 48% | 0.476 | 23% | 0.229 | S | C | . | . | trans | -70.1 | 116 | 179.5 | -176.9 | -13.1 | 0 | 0 | 0 | 110.9 | A969 V970 R971 | D967-A969 VanDerWaalsContact C-N 3.3Å; D967-A969 PolarHBondContact O-N 3.39Å; D967-A969 WeakPolarHBondContact OD1-CB 3.25Å; D967-A969 PolarHBondContact OD1-N 3Å; D967-V970 HydrophobicContact CB-CB 4.1Å; D967-V970 HydrophobicContact CB-CG2 4.06Å; D967-V970 PolarHBondContact O-N 3.06Å; D967-V970 WeakPolarHBondContact OD2-CG2 3.34Å; D967-R971 WeakPolarHBondContact O-CB 3.41Å; D967-R971 PolarHBondContact O-N 3.42Å | ||
| 968 | T | 91 | Very high | 93.6 | Very high | 38 Ų | 38 | 43.7 Ų | 43.7 | 23% | 0.233 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62.6 | -33.9 | 179.6 | -51.4 | 0 | 0 | 0 | 0 | 112.5 | M966 R971 A972 L1008 S1011 L1012 | M966-T968 PolarHBondContact O-N 2.86Å; T968-R971 PolarHBondContact O-N 3.01Å; T968-A972 WeakPolarHBondContact O-CB 3.37Å; T968-A972 PolarHBondContact O-N 3.29Å; T968-L1008 HydrophobicContact CG2-CD2 3.98Å; T968-S1011 WeakPolarHBondContact CG2-OG 3.34Å; T968-L1012 HydrophobicContact CG2-CD1 4.29Å; T968-L1012 HydrophobicContact CG2-CD2 4.31Å; T968-L1012 HydrophobicContact CG2-CG 3.89Å |
| 969 | A | 91.3 | Very high | 93.5 | Very high | 17 Ų | 17 | 43.7 Ų | 43.7 | 14% | 0.14 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -69.2 | -46.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | D967 R971 A972 Q973 L1012 I1021 | D967-A969 VanDerWaalsContact C-N 3.3Å; D967-A969 PolarHBondContact O-N 3.39Å; D967-A969 WeakPolarHBondContact OD1-CB 3.25Å; D967-A969 PolarHBondContact OD1-N 3Å; A969-R971 VanDerWaalsContact C-N 3.32Å; A969-R971 PolarHBondContact O-N 3.4Å; A969-A972 PolarHBondContact O-N 3.23Å; A969-Q973 PolarHBondContact O-N 2.85Å; A969-L1012 HydrophobicContact CB-CD2 3.7Å; A969-I1021 HydrophobicContact CB-CD1 3.95Å; A969-I1021 WeakPolarHBondContact O-CD1 3.46Å |
| 970 | V | 92.3 | Very high | 93.5 | Very high | 51 Ų | 51 | 45.1 Ų | 45.1 | 31% | 0.309 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -61.2 | -42.9 | 173.7 | 174.3 | 0 | 0 | 0 | 0 | 110.6 | H886 D967 A972 Q973 L974 | H886-V970 HydrophobicContact CB-CG1 3.93Å; D967-V970 HydrophobicContact CB-CB 4.1Å; D967-V970 HydrophobicContact CB-CG2 4.06Å; D967-V970 PolarHBondContact O-N 3.06Å; D967-V970 WeakPolarHBondContact OD2-CG2 3.34Å; V970-A972 PolarHBondContact O-N 2.84Å; V970-Q973 PolarHBondContact O-N 2.85Å; V970-L974 HydrophobicContact CG1-CD1 3.91Å; V970-L974 HydrophobicContact CG1-CG 4.24Å; V970-L974 VanDerWaalsContact O-CG 3.28Å; V970-L974 WeakPolarHBondContact O-CG 3.48Å; V970-L974 PolarHBondContact O-N 3.24Å |
| 971 | R | 94.4 | Very high | 93.2 | Very high | 51 Ų | 51 | 39.1 Ų | 39.1 | 19% | 0.192 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -58.3 | -48.7 | 176.9 | -169.7 | -178.8 | -47.5 | 129 | 0.4 | 111.5 | A962 C965 M966 D967 T968 A969 Q973 L974 F975 L1008 | A962-R971 WeakPolarHBondContact O-CG 3.46Å; C965-R971 VanDerWaalsContact O-CZ 3.27Å; C965-R971 PolarHBondContact O-NE 3Å; C965-R971 VanDerWaalsContact O-NE 3.1Å; C965-R971 PolarHBondContact O-NH2 3.36Å; M966-R971 PolarHBondContact O-NH2 2.86Å; D967-R971 WeakPolarHBondContact O-CB 3.41Å; D967-R971 PolarHBondContact O-N 3.42Å; T968-R971 PolarHBondContact O-N 3.01Å; A969-R971 VanDerWaalsContact C-N 3.32Å; A969-R971 PolarHBondContact O-N 3.4Å; R971-Q973 VanDerWaalsContact C-N 3.35Å; R971-Q973 PolarHBondContact O-N 3.4Å; R971-L974 PolarHBondContact O-N 2.75Å; R971-F975 HydrophobicContact CG-CD2 3.87Å; R971-F975 HydrophobicContact CG-CE2 3.75Å; R971-F975 VanDerWaalsContact O-CD2 3.27Å; R971-F975 WeakPolarHBondContact O-CD2 2.95Å; R971-F975 PolarHBondContact O-N 3Å; R971-L1008 HydrophobicContact CB-CD1 4.39Å; R971-L1008 HydrophobicContact CG-CD1 3.78Å; R971-L1008 HydrophobicContact CG-CD2 4.3Å |
| 972 | A | 93.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -58.9 | -45.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | T968 A969 V970 L974 F975 I976 L1008 L1012 I1021 | T968-A972 WeakPolarHBondContact O-CB 3.37Å; T968-A972 PolarHBondContact O-N 3.29Å; A969-A972 PolarHBondContact O-N 3.23Å; V970-A972 PolarHBondContact O-N 2.84Å; A972-L974 PolarHBondContact O-N 3.49Å; A972-F975 PolarHBondContact O-N 3.44Å; A972-I976 VanDerWaalsContact O-CG1 3.28Å; A972-I976 WeakPolarHBondContact O-CG1 3.36Å; A972-I976 PolarHBondContact O-N 3.24Å; A972-I976 VanDerWaalsContact O-N 3.07Å; A972-L1008 HydrophobicContact CB-CB 4.11Å; A972-L1012 HydrophobicContact CB-CD1 3.86Å; A972-I1021 HydrophobicContact CB-CG2 3.98Å |
| 973 | Q | 93.6 | Very high | 92.8 | Very high | 47 Ų | 47 | 38.9 Ų | 38.9 | 22% | 0.22 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -60.8 | -45.3 | 177.5 | -174.8 | 64.2 | 28 | 0 | 0 | 112.5 | A969 V970 R971 F975 I976 D977 H1024 | A969-Q973 PolarHBondContact O-N 2.85Å; V970-Q973 PolarHBondContact O-N 2.85Å; R971-Q973 VanDerWaalsContact C-N 3.35Å; R971-Q973 PolarHBondContact O-N 3.4Å; Q973-F975 VanDerWaalsContact C-N 3.35Å; Q973-F975 PolarHBondContact O-N 3.21Å; Q973-I976 PolarHBondContact O-N 2.87Å; Q973-D977 PolarHBondContact NE2-OD1 2.65Å; Q973-D977 PolarHBondContact O-N 3.23Å; Q973-H1024 PolarHBondContact NE2-CE1 3.24Å; Q973-H1024 PolarHBondContact NE2-ND1 2.91Å; Q973-H1024 VanDerWaalsContact NE2-ND1 3.11Å |
| 974 | L | 94.8 | Very high | 92.4 | Very high | 2 Ų | 2 | 37 Ų | 37 | 1% | 0.01 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -63.3 | -38.7 | 178.8 | -69.3 | 172.9 | 0 | 0 | 0 | 112.4 | H886 C889 R890 A962 V970 R971 A972 I976 D977 I978 | H886-L974 HydrophobicContact CB-CD1 3.87Å; H886-L974 HydrophobicContact CB-CD2 4.28Å; C889-L974 HydrophobicContact CB-CD1 4.17Å; C889-L974 HydrophobicContact CB-CD2 4.11Å; R890-L974 HydrophobicContact CG-CD2 3.91Å; A962-L974 HydrophobicContact CB-CB 3.9Å; A962-L974 HydrophobicContact CB-CD1 4.21Å; V970-L974 HydrophobicContact CG1-CD1 3.91Å; V970-L974 HydrophobicContact CG1-CG 4.24Å; V970-L974 VanDerWaalsContact O-CG 3.28Å; V970-L974 WeakPolarHBondContact O-CG 3.48Å; V970-L974 PolarHBondContact O-N 3.24Å; R971-L974 PolarHBondContact O-N 2.75Å; A972-L974 PolarHBondContact O-N 3.49Å; L974-I976 VanDerWaalsContact C-N 3.35Å; L974-D977 PolarHBondContact O-N 3.38Å; L974-I978 VanDerWaalsContact O-CG1 3.32Å; L974-I978 WeakPolarHBondContact O-CG1 3.44Å; L974-I978 PolarHBondContact O-N 2.99Å |
| 975 | F | 96.5 | Very high | 92.1 | Very high | 6 Ų | 6 | 32.7 Ų | 32.7 | 3% | 0.026 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -67.4 | -34.8 | 175.1 | -86.2 | -70.7 | 0 | 0 | 0 | 112.9 | A959 A962 K963 R971 A972 Q973 D977 I978 L979 T1001 I1005 L1008 | A959-F975 HydrophobicContact CB-CE1 4.18Å; A962-F975 HydrophobicContact CB-CD2 4.2Å; A962-F975 HydrophobicContact CB-CE2 3.92Å; A962-F975 HydrophobicContact CB-CZ 4.16Å; K963-F975 HydrophobicContact CD-CZ 4.29Å; K963-F975 HydrophobicContact CG-CE2 4.06Å; K963-F975 HydrophobicContact CG-CZ 3.62Å; R971-F975 HydrophobicContact CG-CD2 3.87Å; R971-F975 HydrophobicContact CG-CE2 3.75Å; R971-F975 VanDerWaalsContact O-CD2 3.27Å; R971-F975 WeakPolarHBondContact O-CD2 2.95Å; R971-F975 PolarHBondContact O-N 3Å; A972-F975 PolarHBondContact O-N 3.44Å; Q973-F975 VanDerWaalsContact C-N 3.35Å; Q973-F975 PolarHBondContact O-N 3.21Å; F975-D977 VanDerWaalsContact C-N 3.34Å; F975-I978 HydrophobicContact CD1-CD1 4.37Å; F975-I978 PolarHBondContact O-N 3.04Å; F975-L979 WeakPolarHBondContact O-CB 3.47Å; F975-L979 PolarHBondContact O-N 2.97Å; F975-T1001 HydrophobicContact CD1-CG2 4.18Å; F975-I1005 HydrophobicContact CB-CD1 4.16Å; F975-I1005 HydrophobicContact CB-CG1 3.54Å; F975-L1008 HydrophobicContact CD2-CD1 3.63Å; F975-L1008 HydrophobicContact CE2-CD1 4.1Å |
| 976 | I | 94.7 | Very high | 91.9 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -65.5 | -40.7 | 172.8 | -60.5 | 159.8 | 0 | 0 | 0 | 110.3 | A972 Q973 L974 I978 L979 N980 I1005 I1021 H1024 F1025 | A972-I976 VanDerWaalsContact O-CG1 3.28Å; A972-I976 WeakPolarHBondContact O-CG1 3.36Å; A972-I976 PolarHBondContact O-N 3.24Å; A972-I976 VanDerWaalsContact O-N 3.07Å; Q973-I976 PolarHBondContact O-N 2.87Å; L974-I976 VanDerWaalsContact C-N 3.35Å; I976-I978 PolarHBondContact O-N 3.44Å; I976-L979 WeakPolarHBondContact O-CB 3.36Å; I976-L979 PolarHBondContact O-N 3.21Å; I976-N980 WeakPolarHBondContact O-CB 3.29Å; I976-N980 VanDerWaalsContact O-CG 3.3Å; I976-N980 PolarHBondContact O-N 3.46Å; I976-N980 PolarHBondContact O-ND2 3.41Å; I976-I1005 HydrophobicContact CD1-CG2 4.41Å; I976-I1005 HydrophobicContact CG1-CD1 3.98Å; I976-I1005 HydrophobicContact CG1-CG1 4.27Å; I976-I1005 HydrophobicContact CG1-CG2 3.92Å; I976-I1021 HydrophobicContact CD1-CG2 3.45Å; I976-I1021 VanDerWaalsContact CD1-CG2 3.45Å; I976-H1024 WeakPolarHBondContact CG2-CE1 3.4Å; I976-H1024 WeakPolarHBondContact CG2-ND1 3.41Å; I976-F1025 HydrophobicContact CD1-CB 3.8Å; I976-F1025 HydrophobicContact CG1-CB 4.1Å; I976-F1025 HydrophobicContact CG1-CD2 4.18Å; I976-F1025 HydrophobicContact CG1-CG 4.49Å |
| 977 | D | 93.3 | Very high | 91.6 | Very high | 46 Ų | 46 | 28.4 Ų | 28.4 | 25% | 0.246 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -61.3 | -43.5 | 175.1 | -63.7 | -17.3 | 0 | 0 | 0 | 111.1 | R890 Q973 L974 F975 N980 L981 H1024 | R890-D977 IonicContact NE-OD2 2.94Å; R890-D977 IonicContact NH2-OD2 3.77Å; Q973-D977 PolarHBondContact NE2-OD1 2.65Å; Q973-D977 PolarHBondContact O-N 3.23Å; L974-D977 PolarHBondContact O-N 3.38Å; F975-D977 VanDerWaalsContact C-N 3.34Å; D977-N980 PolarHBondContact O-N 2.89Å; D977-L981 PolarHBondContact O-N 3.09Å; D977-H1024 IonicContact OD1-CE1 4Å |
| 978 | I | 94.4 | Very high | 91.1 | Very high | 4 Ų | 4 | 25.4 Ų | 25.4 | 2% | 0.021 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -62.4 | -42.3 | 174.2 | -68.9 | 165.2 | 0 | 0 | 0 | 111.4 | L955 A958 A959 A962 L974 F975 I976 L981 S982 | L955-I978 HydrophobicContact CD2-CG2 4.4Å; A958-I978 HydrophobicContact CB-CD1 4.18Å; A958-I978 HydrophobicContact CB-CG1 4.37Å; A959-I978 HydrophobicContact CB-CD1 4.27Å; A962-I978 HydrophobicContact CB-CD1 4.17Å; L974-I978 VanDerWaalsContact O-CG1 3.32Å; L974-I978 WeakPolarHBondContact O-CG1 3.44Å; L974-I978 PolarHBondContact O-N 2.99Å; F975-I978 HydrophobicContact CD1-CD1 4.37Å; F975-I978 PolarHBondContact O-N 3.04Å; I976-I978 PolarHBondContact O-N 3.44Å; I978-L981 PolarHBondContact O-N 3.44Å; I978-S982 WeakPolarHBondContact O-CB 3.39Å; I978-S982 PolarHBondContact O-N 3.22Å; I978-S982 PolarHBondContact O-OG 3.25Å |
| 979 | L | 94.4 | Very high | 90.7 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -61.9 | -48.6 | 177 | 176.3 | 63.5 | 0 | 0 | 0 | 110.6 | F975 I976 L981 S982 V983 I998 T1001 I1002 I1005 F1025 T1028 | F975-L979 WeakPolarHBondContact O-CB 3.47Å; F975-L979 PolarHBondContact O-N 2.97Å; I976-L979 WeakPolarHBondContact O-CB 3.36Å; I976-L979 PolarHBondContact O-N 3.21Å; L979-L981 VanDerWaalsContact C-N 3.32Å; L979-L981 PolarHBondContact O-N 2.92Å; L979-S982 PolarHBondContact O-N 3.39Å; L979-V983 HydrophobicContact CD1-CG2 4.1Å; L979-V983 HydrophobicContact CG-CG2 4.42Å; L979-V983 WeakPolarHBondContact O-CB 3.45Å; L979-V983 VanDerWaalsContact O-CG2 3.24Å; L979-V983 WeakPolarHBondContact O-CG2 3.36Å; L979-V983 PolarHBondContact O-N 3.49Å; L979-I998 HydrophobicContact CD1-CG2 3.8Å; L979-T1001 HydrophobicContact CB-CG2 3.97Å; L979-T1001 HydrophobicContact CD1-CG2 4.41Å; L979-I1002 HydrophobicContact CD1-CG1 4.02Å; L979-I1002 HydrophobicContact CD2-CG1 3.88Å; L979-I1005 HydrophobicContact CB-CD1 4Å; L979-I1005 HydrophobicContact CD2-CD1 3.68Å; L979-I1005 HydrophobicContact CG-CD1 4.45Å; L979-F1025 HydrophobicContact CD2-CD2 4.18Å; L979-F1025 HydrophobicContact CD2-CE2 3.82Å; L979-T1028 HydrophobicContact CD2-CG2 3.77Å; L979-T1028 HydrophobicContact CG-CG2 3.99Å |
| 980 | N | 92.8 | Very high | 90.4 | Very high | 52 Ų | 52 | 24.9 Ų | 24.9 | 28% | 0.278 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -56.6 | -46.4 | 177.3 | -75.9 | -23 | 0 | 0 | 0 | 111.5 | I976 D977 V983 N984 H1024 T1028 | I976-N980 WeakPolarHBondContact O-CB 3.29Å; I976-N980 VanDerWaalsContact O-CG 3.3Å; I976-N980 PolarHBondContact O-N 3.46Å; I976-N980 PolarHBondContact O-ND2 3.41Å; D977-N980 PolarHBondContact O-N 2.89Å; N980-V983 PolarHBondContact O-N 3.39Å; N980-N984 WeakPolarHBondContact O-CB 3.5Å; N980-N984 PolarHBondContact O-N 2.91Å; N980-H1024 PolarHBondContact ND2-NE2 3.36Å; N980-T1028 WeakPolarHBondContact OD1-CB 3.45Å; N980-T1028 WeakPolarHBondContact OD1-CG2 3.48Å; N980-T1028 PolarHBondContact OD1-OG1 3.39Å |
| 981 | L | 91.1 | Very high | 90 | Very high | 19 Ų | 19 | 30.2 Ų | 30.2 | 10% | 0.099 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -63.5 | -44.2 | 176.7 | 178.7 | 59.2 | 0 | 0 | 0 | 111.7 | C893 L955 D977 I978 L979 V983 N984 L985 | C893-L981 HydrophobicContact CB-CD2 3.79Å; C893-L981 WeakPolarHBondContact O-CD2 3.36Å; L955-L981 HydrophobicContact CD2-CD2 3.87Å; L955-L981 HydrophobicContact CD2-CG 4.26Å; D977-L981 PolarHBondContact O-N 3.09Å; I978-L981 PolarHBondContact O-N 3.44Å; L979-L981 VanDerWaalsContact C-N 3.32Å; L979-L981 PolarHBondContact O-N 2.92Å; L981-V983 VanDerWaalsContact C-N 3.35Å; L981-V983 PolarHBondContact O-N 3.29Å; L981-N984 PolarHBondContact O-N 2.93Å; L981-L985 HydrophobicContact CD1-CD1 3.93Å; L981-L985 HydrophobicContact CD1-CG 4.1Å; L981-L985 HydrophobicContact CG-CD1 3.82Å; L981-L985 HydrophobicContact CG-CG 4.44Å; L981-L985 WeakPolarHBondContact O-CB 3.39Å; L981-L985 VanDerWaalsContact O-CG 3.27Å; L981-L985 WeakPolarHBondContact O-CG 3.46Å; L981-L985 PolarHBondContact O-N 2.97Å |
| 982 | S | 91.4 | Very high | 89.5 | Confident | 9 Ų | 9 | 31.6 Ų | 31.6 | 6% | 0.063 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -62.6 | -42 | 179.5 | -58.7 | 0 | 0 | 0 | 0 | 111.9 | I978 L979 L985 R986 | I978-S982 WeakPolarHBondContact O-CB 3.39Å; I978-S982 PolarHBondContact O-N 3.22Å; I978-S982 PolarHBondContact O-OG 3.25Å; L979-S982 PolarHBondContact O-N 3.39Å; S982-L985 PolarHBondContact O-N 3.43Å; S982-R986 WeakPolarHBondContact O-CB 3.21Å; S982-R986 PolarHBondContact O-N 3.49Å |
| 983 | V | 89.1 | Confident | 89.2 | Confident | 3 Ų | 3 | 31.7 Ų | 31.7 | 2% | 0.018 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -62.4 | -45.4 | 174.7 | 169.9 | 0 | 0 | 0 | 0 | 110.7 | L979 N980 L981 L985 R986 L987 Y1031 I1032 F1064 | L979-V983 HydrophobicContact CD1-CG2 4.1Å; L979-V983 HydrophobicContact CG-CG2 4.42Å; L979-V983 WeakPolarHBondContact O-CB 3.45Å; L979-V983 VanDerWaalsContact O-CG2 3.24Å; L979-V983 WeakPolarHBondContact O-CG2 3.36Å; L979-V983 PolarHBondContact O-N 3.49Å; N980-V983 PolarHBondContact O-N 3.39Å; L981-V983 VanDerWaalsContact C-N 3.35Å; L981-V983 PolarHBondContact O-N 3.29Å; V983-L985 PolarHBondContact O-N 3.35Å; V983-R986 PolarHBondContact O-N 3.04Å; V983-L987 HydrophobicContact CG1-CD1 3.98Å; V983-L987 WeakPolarHBondContact O-CB 3.48Å; V983-L987 WeakPolarHBondContact O-CG 3.47Å; V983-L987 PolarHBondContact O-N 3.03Å; V983-Y1031 HydrophobicContact CG1-CD1 4.3Å; V983-Y1031 HydrophobicContact CG1-CE1 4.28Å; V983-I1032 HydrophobicContact CG1-CG1 4.07Å; V983-I1032 HydrophobicContact CG2-CD1 3.69Å; V983-I1032 HydrophobicContact CG2-CG1 3.8Å; V983-F1064 HydrophobicContact CB-CZ 4.49Å; V983-F1064 HydrophobicContact CG1-CE1 4.43Å; V983-F1064 HydrophobicContact CG1-CE2 4.43Å; V983-F1064 HydrophobicContact CG1-CZ 3.81Å |
| 984 | N | 86.8 | Confident | 88.9 | Confident | 78 Ų | 78 | 32.1 Ų | 32.1 | 42% | 0.417 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -62 | -42.6 | 177.6 | -173.9 | -73.6 | 0 | 0 | 0 | 112.4 | N980 L981 L987 S988 | N980-N984 WeakPolarHBondContact O-CB 3.5Å; N980-N984 PolarHBondContact O-N 2.91Å; L981-N984 PolarHBondContact O-N 2.93Å; N984-L987 WeakPolarHBondContact O-CB 3.27Å; N984-L987 PolarHBondContact O-N 2.93Å; N984-S988 WeakPolarHBondContact O-CB 3.33Å; N984-S988 PolarHBondContact O-N 3.2Å; N984-S988 PolarHBondContact O-OG 2.92Å |
| 985 | L | 87.6 | Confident | 88.6 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -68.1 | -37.5 | 177.5 | -70.6 | 166.5 | 0 | 0 | 0 | 112 | T896 W900 V951 L955 L981 S982 V983 S988 G989 C990 I993 | T896-L985 HydrophobicContact CG2-CD1 3.56Å; W900-L985 HydrophobicContact CB-CD2 3.66Å; W900-L985 HydrophobicContact CG-CD2 3.76Å; V951-L985 HydrophobicContact CG1-CD1 3.84Å; L955-L985 HydrophobicContact CD1-CD1 4.26Å; L981-L985 HydrophobicContact CD1-CD1 3.93Å; L981-L985 HydrophobicContact CD1-CG 4.1Å; L981-L985 HydrophobicContact CG-CD1 3.82Å; L981-L985 HydrophobicContact CG-CG 4.44Å; L981-L985 WeakPolarHBondContact O-CB 3.39Å; L981-L985 VanDerWaalsContact O-CG 3.27Å; L981-L985 WeakPolarHBondContact O-CG 3.46Å; L981-L985 PolarHBondContact O-N 2.97Å; S982-L985 PolarHBondContact O-N 3.43Å; V983-L985 PolarHBondContact O-N 3.35Å; L985-S988 CarbonylContact O-C 3.54Å; L985-S988 PolarHBondContact O-N 3.29Å; L985-G989 PolarHBondContact O-N 3.24Å; L985-C990 HydrophobicContact CB-CB 4.34Å; L985-C990 VanDerWaalsContact O-CB 3.27Å; L985-C990 WeakPolarHBondContact O-CB 3.44Å; L985-C990 PolarHBondContact O-N 3.27Å; L985-I993 HydrophobicContact CB-CD1 3.29Å; L985-I993 HydrophobicContact CD1-CD1 3.95Å; L985-I993 HydrophobicContact CG-CD1 4.27Å |
| 986 | R | 86.1 | Confident | 88.2 | Confident | 30 Ų | 30 | 37.1 Ų | 37.1 | 11% | 0.113 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -63.2 | -44.2 | 172.8 | -179.7 | 54.3 | 166.2 | -174.1 | 9 | 111.5 | S982 V983 S988 G989 E991 I993 D995 I998 L1063 F1064 | S982-R986 WeakPolarHBondContact O-CB 3.21Å; S982-R986 PolarHBondContact O-N 3.49Å; V983-R986 PolarHBondContact O-N 3.04Å; R986-S988 PolarHBondContact O-N 2.83Å; R986-G989 PolarHBondContact O-N 3.32Å; R986-G989 VanDerWaalsContact O-N 3.1Å; R986-E991 VanDerWaalsContact NH1-CA 3.34Å; R986-E991 PolarHBondContact NH1-O 3.08Å; R986-I993 HydrophobicContact CB-CB 4.39Å; R986-I993 HydrophobicContact CB-CG2 4.2Å; R986-I993 VanDerWaalsContact CD-O 3.25Å; R986-I993 WeakPolarHBondContact CD-O 3.43Å; R986-I993 PolarHBondContact NE-O 2.95Å; R986-I993 PolarHBondContact NH1-O 2.83Å; R986-D995 IonicContact CZ-OD1 3.89Å; R986-D995 IonicContact NE-OD1 3.79Å; R986-D995 IonicContact NH2-OD1 3.59Å; R986-I998 HydrophobicContact CB-CD1 4.43Å; R986-I998 HydrophobicContact CG-CD1 4.34Å; R986-L1063 HydrophobicContact CG-CD1 4.21Å; R986-F1064 HydrophobicContact CB-CE1 3.89Å; R986-F1064 HydrophobicContact CB-CZ 4.16Å; R986-F1064 HydrophobicContact CG-CD1 4.17Å; R986-F1064 HydrophobicContact CG-CE1 3.4Å; R986-F1064 VanDerWaalsContact CG-CE1 3.4Å; R986-F1064 HydrophobicContact CG-CZ 3.89Å |
| 987 | L | 84 | Confident | 88 | Confident | 55 Ų | 55 | 40.8 Ų | 40.8 | 29% | 0.288 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -60.8 | -34.8 | 172.3 | -78 | 161 | 0 | 0 | 0 | 112.4 | V983 N984 G989 Y1031 E1035 L1063 F1064 | V983-L987 HydrophobicContact CG1-CD1 3.98Å; V983-L987 WeakPolarHBondContact O-CB 3.48Å; V983-L987 WeakPolarHBondContact O-CG 3.47Å; V983-L987 PolarHBondContact O-N 3.03Å; N984-L987 WeakPolarHBondContact O-CB 3.27Å; N984-L987 PolarHBondContact O-N 2.93Å; L987-G989 PolarHBondContact O-N 3.12Å; L987-Y1031 HydrophobicContact CD1-CE1 3.7Å; L987-E1035 HydrophobicContact CD1-CG 4.26Å; L987-E1035 HydrophobicContact CD2-CB 4.37Å; L987-E1035 HydrophobicContact CD2-CG 3.99Å; L987-L1063 HydrophobicContact CD2-CD2 3.33Å; L987-L1063 HydrophobicContact CG-CD2 4.12Å; L987-F1064 HydrophobicContact CD2-CE2 4.02Å; L987-F1064 HydrophobicContact CD2-CZ 4.44Å; L987-F1064 HydrophobicContact CG-CE2 4.01Å; L987-F1064 HydrophobicContact CG-CZ 3.96Å |
| 988 | S | 80.7 | Confident | 87.9 | Confident | 26 Ų | 26 | 38.6 Ų | 38.6 | 18% | 0.182 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | 1.3 | 177.2 | -57.8 | 0 | 0 | 0 | 0 | 113.8 | N984 L985 R986 | N984-S988 WeakPolarHBondContact O-CB 3.33Å; N984-S988 PolarHBondContact O-N 3.2Å; N984-S988 PolarHBondContact O-OG 2.92Å; L985-S988 CarbonylContact O-C 3.54Å; L985-S988 PolarHBondContact O-N 3.29Å; R986-S988 PolarHBondContact O-N 2.83Å |
| 989 | G | 82.6 | Confident | 87.8 | Confident | 44 Ų | 44 | 39.5 Ų | 39.5 | 45% | 0.454 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 96.7 | 13.6 | 175 | 0 | 0 | 0 | 0 | 0 | 115.8 | L985 R986 L987 E991 | L985-G989 PolarHBondContact O-N 3.24Å; R986-G989 PolarHBondContact O-N 3.32Å; R986-G989 VanDerWaalsContact O-N 3.1Å; L987-G989 PolarHBondContact O-N 3.12Å; G989-E991 PolarHBondContact O-N 3.43Å |
| 990 | C | 85.4 | Confident | 87.7 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 24% | 0.236 | C | C | . | . | trans | -76.5 | 92.9 | 176.9 | -174.5 | 0 | 0 | 0 | 0 | 111 | W900 L985 Q992 I993 | W900-C990 HydrophobicContact CD2-CB 4.05Å; W900-C990 HydrophobicContact CE3-CB 4.19Å; W900-C990 HydrophobicContact CH2-CB 3.87Å; W900-C990 HydrophobicContact CZ2-CB 3.72Å; W900-C990 HydrophobicContact CZ3-CB 4.11Å; L985-C990 HydrophobicContact CB-CB 4.34Å; L985-C990 VanDerWaalsContact O-CB 3.27Å; L985-C990 WeakPolarHBondContact O-CB 3.44Å; L985-C990 PolarHBondContact O-N 3.27Å; C990-Q992 VanDerWaalsContact C-N 3.27Å; C990-Q992 PolarHBondContact O-N 2.88Å; C990-I993 HydrophobicContact CB-CD1 4.12Å; C990-I993 HydrophobicContact CB-CG1 4.43Å; C990-I993 PolarHBondContact O-N 3.19Å | ||
| 991 | E | 82.3 | Confident | 87.6 | Confident | 163 Ų | 163 | 42.9 Ų | 42.9 | 76% | 0.762 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63 | -29.3 | -174.3 | -69.3 | -172.9 | 174.4 | 0 | 0 | 114.5 | R986 G989 I993 | R986-E991 VanDerWaalsContact NH1-CA 3.34Å; R986-E991 PolarHBondContact NH1-O 3.08Å; G989-E991 PolarHBondContact O-N 3.43Å; E991-I993 PolarHBondContact O-N 3.14Å |
| 992 | Q | 84.8 | Confident | 87.7 | Confident | 80 Ų | 80 | 42.1 Ų | 42.1 | 37% | 0.374 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -16.2 | 179.6 | -68.8 | -174.7 | 2.3 | 0 | 0 | 113.6 | P948 I952 C990 T994 | P948-Q992 HydrophobicContact CB-CB 4.29Å; P948-Q992 VanDerWaalsContact CB-CD 3.4Å; P948-Q992 HydrophobicContact CB-CG 3.95Å; P948-Q992 HydrophobicContact CG-CG 4.42Å; P948-Q992 PolarHBondContact O-OE1 2.88Å; P948-Q992 VanDerWaalsContact O-OE1 3.13Å; I952-Q992 HydrophobicContact CD1-CB 4.28Å; I952-Q992 HydrophobicContact CG1-CB 4.02Å; C990-Q992 VanDerWaalsContact C-N 3.27Å; C990-Q992 PolarHBondContact O-N 2.88Å; Q992-T994 VanDerWaalsContact C-N 3.32Å; Q992-T994 PolarHBondContact O-N 3.28Å; Q992-T994 VanDerWaalsContact O-N 3.1Å |
| 993 | I | 86.8 | Confident | 87.8 | Confident | 1 Ų | 1 | 44.3 Ų | 44.3 | 1% | 0.005 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -81.5 | 88.8 | 167.9 | -59.3 | 173.7 | 0 | 0 | 0 | 106.5 | V951 I952 L955 L985 R986 C990 E991 I998 | V951-I993 HydrophobicContact CG1-CD1 4.28Å; I952-I993 HydrophobicContact CD1-CG1 3.94Å; L955-I993 HydrophobicContact CD1-CD1 4.06Å; L955-I993 HydrophobicContact CD1-CG1 4.39Å; L985-I993 HydrophobicContact CB-CD1 3.29Å; L985-I993 HydrophobicContact CD1-CD1 3.95Å; L985-I993 HydrophobicContact CG-CD1 4.27Å; R986-I993 HydrophobicContact CB-CB 4.39Å; R986-I993 HydrophobicContact CB-CG2 4.2Å; R986-I993 VanDerWaalsContact CD-O 3.25Å; R986-I993 WeakPolarHBondContact CD-O 3.43Å; R986-I993 PolarHBondContact NE-O 2.95Å; R986-I993 PolarHBondContact NH1-O 2.83Å; C990-I993 HydrophobicContact CB-CD1 4.12Å; C990-I993 HydrophobicContact CB-CG1 4.43Å; C990-I993 PolarHBondContact O-N 3.19Å; E991-I993 PolarHBondContact O-N 3.14Å; I993-I998 HydrophobicContact CG2-CD1 4.14Å; I993-I998 HydrophobicContact CG2-CG1 4.07Å |
| 994 | T | 87.9 | Confident | 87.9 | Confident | 56 Ų | 56 | 46.7 Ų | 46.7 | 34% | 0.344 | 25% | 0.253 | S | S | . | . | trans | -73.2 | 153.4 | 178.8 | 59.3 | 0 | 0 | 0 | 0 | 111 | Q992 D996 R997 I998 | Q992-T994 VanDerWaalsContact C-N 3.32Å; Q992-T994 PolarHBondContact O-N 3.28Å; Q992-T994 VanDerWaalsContact O-N 3.1Å; T994-D996 PolarHBondContact O-N 3.41Å; T994-R997 PolarHBondContact O-N 3.44Å; T994-R997 VanDerWaalsContact O-N 3.1Å; T994-R997 WeakPolarHBondContact OG1-CG 3.46Å; T994-R997 PolarHBondContact OG1-N 3.39Å; T994-I998 PolarHBondContact O-N 2.98Å | ||
| 995 | D | 87.3 | Confident | 88.2 | Confident | 10 Ų | 10 | 43 Ų | 43 | 5% | 0.053 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -56.9 | -32.8 | 173.1 | -70.7 | 14.1 | 0 | 0 | 0 | 111.3 | R986 R997 I998 N999 F1064 A1065 S1066 V1067 | R986-D995 IonicContact CZ-OD1 3.89Å; R986-D995 IonicContact NE-OD1 3.79Å; R986-D995 IonicContact NH2-OD1 3.59Å; D995-R997 PolarHBondContact O-N 3.42Å; D995-I998 WeakPolarHBondContact O-CB 3.38Å; D995-I998 PolarHBondContact O-N 2.9Å; D995-N999 PolarHBondContact O-N 3.46Å; D995-N999 PolarHBondContact O-ND2 3.06Å; D995-F1064 VanDerWaalsContact OD2-C 3.25Å; D995-F1064 WeakPolarHBondContact OD2-CA 3.48Å; D995-A1065 PolarHBondContact OD2-N 3.32Å; D995-S1066 WeakPolarHBondContact CB-OG 3.37Å; D995-S1066 VanDerWaalsContact CG-OG 3.23Å; D995-S1066 PolarHBondContact OD2-N 3.06Å; D995-S1066 PolarHBondContact OD2-OG 2.92Å; D995-V1067 HydrophobicContact CB-CG2 3.83Å |
| 996 | D | 89.1 | Confident | 88.5 | Confident | 104 Ų | 104 | 45.8 Ų | 45.8 | 56% | 0.556 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -59.7 | -44.3 | 174.9 | -61.6 | -33.9 | 0 | 0 | 0 | 112.2 | T994 I998 N999 D1000 | T994-D996 PolarHBondContact O-N 3.41Å; D996-I998 VanDerWaalsContact C-N 3.29Å; D996-I998 PolarHBondContact O-N 2.96Å; D996-N999 WeakPolarHBondContact O-CB 3.24Å; D996-N999 PolarHBondContact O-N 3.47Å; D996-N999 VanDerWaalsContact O-N 3.15Å; D996-D1000 VanDerWaalsContact O-CG 3.24Å; D996-D1000 PolarHBondContact O-N 3.36Å |
| 997 | R | 90 | Very high | 88.8 | Confident | 76 Ų | 76 | 48.9 Ų | 48.9 | 29% | 0.287 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -65.9 | -34.5 | 177.6 | -69.7 | 176.8 | 62.5 | 82.9 | 3 | 112.3 | D956 T994 D995 T1001 | D956-R997 IonicContact OD1-CZ 3.14Å; D956-R997 IonicContact OD1-NH1 2.66Å; D956-R997 PolarHBondContact OD1-NH1 2.91Å; D956-R997 IonicContact OD1-NH2 2.78Å; D956-R997 PolarHBondContact OD1-NH2 3.48Å; T994-R997 PolarHBondContact O-N 3.44Å; T994-R997 VanDerWaalsContact O-N 3.1Å; T994-R997 WeakPolarHBondContact OG1-CG 3.46Å; T994-R997 PolarHBondContact OG1-N 3.39Å; D995-R997 PolarHBondContact O-N 3.42Å; R997-T1001 PolarHBondContact O-N 3.31Å; R997-T1001 VanDerWaalsContact O-N 3.09Å; R997-T1001 PolarHBondContact O-OG1 3.24Å |
| 998 | I | 91.4 | Very high | 89.1 | Confident | 1 Ų | 1 | 47.2 Ų | 47.2 | 1% | 0.005 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -66 | -44.3 | 174.1 | -65 | 177.4 | 0 | 0 | 0 | 109.4 | L979 R986 I993 T994 D995 D996 T1001 I1002 F1064 V1067 | L979-I998 HydrophobicContact CD1-CG2 3.8Å; R986-I998 HydrophobicContact CB-CD1 4.43Å; R986-I998 HydrophobicContact CG-CD1 4.34Å; I993-I998 HydrophobicContact CG2-CD1 4.14Å; I993-I998 HydrophobicContact CG2-CG1 4.07Å; T994-I998 PolarHBondContact O-N 2.98Å; D995-I998 WeakPolarHBondContact O-CB 3.38Å; D995-I998 PolarHBondContact O-N 2.9Å; D996-I998 VanDerWaalsContact C-N 3.29Å; D996-I998 PolarHBondContact O-N 2.96Å; I998-T1001 PolarHBondContact O-N 2.87Å; I998-I1002 HydrophobicContact CG2-CD1 3.86Å; I998-I1002 HydrophobicContact CG2-CG1 4.48Å; I998-I1002 WeakPolarHBondContact O-CB 3.25Å; I998-I1002 VanDerWaalsContact O-CG1 3.29Å; I998-I1002 WeakPolarHBondContact O-CG1 3.5Å; I998-I1002 PolarHBondContact O-N 2.8Å; I998-F1064 HydrophobicContact CD1-CD1 3.83Å; I998-F1064 HydrophobicContact CD1-CE1 3.58Å; I998-V1067 HydrophobicContact CB-CG2 4.25Å; I998-V1067 HydrophobicContact CG2-CG1 3.87Å; I998-V1067 HydrophobicContact CG2-CG2 3.97Å |
| 999 | N | 92.5 | Very high | 89.6 | Confident | 22 Ų | 22 | 47.1 Ų | 47.1 | 12% | 0.118 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61.2 | -43.5 | 175.5 | -73.8 | -32 | 0 | 0 | 0 | 112.7 | D995 D996 T1001 I1002 S1003 S1066 V1067 Q1068 | D995-N999 PolarHBondContact O-N 3.46Å; D995-N999 PolarHBondContact O-ND2 3.06Å; D996-N999 WeakPolarHBondContact O-CB 3.24Å; D996-N999 PolarHBondContact O-N 3.47Å; D996-N999 VanDerWaalsContact O-N 3.15Å; N999-T1001 VanDerWaalsContact C-N 3.3Å; N999-T1001 PolarHBondContact O-N 3.48Å; N999-I1002 PolarHBondContact O-N 2.98Å; N999-S1003 WeakPolarHBondContact O-CB 3.45Å; N999-S1003 PolarHBondContact O-N 3.41Å; N999-S1066 PolarHBondContact ND2-O 3.24Å; N999-V1067 VanDerWaalsContact OD1-CA 3.23Å; N999-V1067 WeakPolarHBondContact OD1-CA 3.25Å; N999-Q1068 PolarHBondContact OD1-N 3Å |
| 1000 | D | 91.8 | Very high | 89.9 | Confident | 102 Ų | 102 | 51.5 Ų | 51.5 | 55% | 0.545 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -59 | -44.6 | 176.1 | -68.1 | -23 | 0 | 0 | 0 | 110.8 | D996 S1003 D1004 | D996-D1000 VanDerWaalsContact O-CG 3.24Å; D996-D1000 PolarHBondContact O-N 3.36Å; D1000-S1003 WeakPolarHBondContact O-CB 3.4Å; D1000-S1003 PolarHBondContact O-N 2.68Å; D1000-D1004 PolarHBondContact O-N 3.42Å |
| 1001 | T | 92 | Very high | 90.1 | Very high | 22 Ų | 22 | 55 Ų | 55 | 14% | 0.135 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -65.8 | -41.1 | 177.8 | -50.2 | 0 | 0 | 0 | 0 | 111.6 | F975 L979 R997 I998 N999 D1004 I1005 | F975-T1001 HydrophobicContact CD1-CG2 4.18Å; L979-T1001 HydrophobicContact CB-CG2 3.97Å; L979-T1001 HydrophobicContact CD1-CG2 4.41Å; R997-T1001 PolarHBondContact O-N 3.31Å; R997-T1001 VanDerWaalsContact O-N 3.09Å; R997-T1001 PolarHBondContact O-OG1 3.24Å; I998-T1001 PolarHBondContact O-N 2.87Å; N999-T1001 VanDerWaalsContact C-N 3.3Å; N999-T1001 PolarHBondContact O-N 3.48Å; T1001-D1004 PolarHBondContact O-N 3.18Å; T1001-I1005 HydrophobicContact CG2-CD1 4.16Å; T1001-I1005 WeakPolarHBondContact O-CD1 3.39Å; T1001-I1005 VanDerWaalsContact O-CG1 3.25Å; T1001-I1005 WeakPolarHBondContact O-CG1 3.29Å; T1001-I1005 PolarHBondContact O-N 2.9Å |
| 1002 | I | 93.2 | Very high | 90.4 | Very high | 2 Ų | 2 | 48.7 Ų | 48.7 | 1% | 0.01 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -62.1 | -43.2 | 175.1 | -73.8 | 170.5 | 0 | 0 | 0 | 110.9 | L979 I998 N999 I1005 R1006 F1025 L1029 I1032 V1067 L1069 | L979-I1002 HydrophobicContact CD1-CG1 4.02Å; L979-I1002 HydrophobicContact CD2-CG1 3.88Å; I998-I1002 HydrophobicContact CG2-CD1 3.86Å; I998-I1002 HydrophobicContact CG2-CG1 4.48Å; I998-I1002 WeakPolarHBondContact O-CB 3.25Å; I998-I1002 VanDerWaalsContact O-CG1 3.29Å; I998-I1002 WeakPolarHBondContact O-CG1 3.5Å; I998-I1002 PolarHBondContact O-N 2.8Å; N999-I1002 PolarHBondContact O-N 2.98Å; I1002-I1005 PolarHBondContact O-N 3.15Å; I1002-R1006 WeakPolarHBondContact O-CG 3.39Å; I1002-R1006 PolarHBondContact O-N 3.32Å; I1002-F1025 HydrophobicContact CG1-CE2 4.48Å; I1002-F1025 HydrophobicContact CG2-CZ 4.1Å; I1002-L1029 HydrophobicContact CD1-CD2 3.92Å; I1002-L1029 HydrophobicContact CG1-CD2 4.17Å; I1002-L1029 HydrophobicContact CG2-CD2 4.42Å; I1002-I1032 HydrophobicContact CD1-CD1 4.43Å; I1002-V1067 HydrophobicContact CD1-CG1 3.64Å; I1002-L1069 HydrophobicContact CD1-CD2 4.49Å |
| 1003 | S | 92.6 | Very high | 90.4 | Very high | 55 Ų | 55 | 52.8 Ų | 52.8 | 39% | 0.385 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -62.2 | -46.9 | 176.8 | -172.7 | 0 | 0 | 0 | 0 | 111.2 | N999 D1000 I1005 R1006 N1007 | N999-S1003 WeakPolarHBondContact O-CB 3.45Å; N999-S1003 PolarHBondContact O-N 3.41Å; D1000-S1003 WeakPolarHBondContact O-CB 3.4Å; D1000-S1003 PolarHBondContact O-N 2.68Å; S1003-I1005 VanDerWaalsContact C-N 3.34Å; S1003-I1005 PolarHBondContact O-N 3.16Å; S1003-R1006 PolarHBondContact O-N 2.99Å; S1003-N1007 VanDerWaalsContact O-CG 3.25Å; S1003-N1007 PolarHBondContact O-N 3.27Å; S1003-N1007 PolarHBondContact O-ND2 3.09Å; S1003-N1007 VanDerWaalsContact O-ND2 3.14Å |
| 1004 | D | 91.9 | Very high | 90.3 | Very high | 53 Ų | 53 | 58.8 Ų | 58.8 | 28% | 0.283 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -57.5 | -45 | 175.2 | -83.2 | -4.6 | 0 | 0 | 0 | 111.2 | K963 D1000 T1001 N1007 L1008 | K963-D1004 IonicContact NZ-OD2 3.75Å; K963-D1004 PolarHBondContact NZ-OD2 3.22Å; D1000-D1004 PolarHBondContact O-N 3.42Å; T1001-D1004 PolarHBondContact O-N 3.18Å; D1004-N1007 PolarHBondContact O-N 2.95Å; D1004-L1008 VanDerWaalsContact O-CG 3.29Å; D1004-L1008 WeakPolarHBondContact O-CG 3.34Å; D1004-L1008 PolarHBondContact O-N 3.42Å; D1004-L1008 VanDerWaalsContact O-N 3.09Å |
| 1005 | I | 92.9 | Very high | 90.3 | Very high | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -63.5 | -44.7 | 177.6 | -65.8 | 160.2 | 0 | 0 | 0 | 111.7 | F975 I976 L979 T1001 I1002 S1003 N1007 L1008 L1009 F1025 | F975-I1005 HydrophobicContact CB-CD1 4.16Å; F975-I1005 HydrophobicContact CB-CG1 3.54Å; I976-I1005 HydrophobicContact CD1-CG2 4.41Å; I976-I1005 HydrophobicContact CG1-CD1 3.98Å; I976-I1005 HydrophobicContact CG1-CG1 4.27Å; I976-I1005 HydrophobicContact CG1-CG2 3.92Å; L979-I1005 HydrophobicContact CB-CD1 4Å; L979-I1005 HydrophobicContact CD2-CD1 3.68Å; L979-I1005 HydrophobicContact CG-CD1 4.45Å; T1001-I1005 HydrophobicContact CG2-CD1 4.16Å; T1001-I1005 WeakPolarHBondContact O-CD1 3.39Å; T1001-I1005 VanDerWaalsContact O-CG1 3.25Å; T1001-I1005 WeakPolarHBondContact O-CG1 3.29Å; T1001-I1005 PolarHBondContact O-N 2.9Å; I1002-I1005 PolarHBondContact O-N 3.15Å; S1003-I1005 VanDerWaalsContact C-N 3.34Å; S1003-I1005 PolarHBondContact O-N 3.16Å; I1005-N1007 VanDerWaalsContact C-N 3.34Å; I1005-N1007 PolarHBondContact O-N 2.92Å; I1005-L1008 PolarHBondContact O-N 3.31Å; I1005-L1009 HydrophobicContact CG2-CD1 3.89Å; I1005-L1009 HydrophobicContact CG2-CG 4.22Å; I1005-L1009 WeakPolarHBondContact O-CG 3.49Å; I1005-L1009 PolarHBondContact O-N 2.92Å; I1005-F1025 HydrophobicContact CB-CD2 4.36Å; I1005-F1025 HydrophobicContact CB-CE2 3.94Å; I1005-F1025 HydrophobicContact CB-CZ 4.08Å; I1005-F1025 HydrophobicContact CD1-CD2 4.05Å; I1005-F1025 HydrophobicContact CD1-CE2 3.76Å; I1005-F1025 HydrophobicContact CG1-CE2 4.46Å; I1005-F1025 HydrophobicContact CG2-CB 4.46Å; I1005-F1025 HydrophobicContact CG2-CD1 3.97Å; I1005-F1025 HydrophobicContact CG2-CD2 3.6Å; I1005-F1025 HydrophobicContact CG2-CE1 3.98Å; I1005-F1025 HydrophobicContact CG2-CE2 3.62Å; I1005-F1025 HydrophobicContact CG2-CG 3.76Å; I1005-F1025 HydrophobicContact CG2-CZ 3.79Å |
| 1006 | R | 93 | Very high | 90.2 | Very high | 60 Ų | 60 | 62.1 Ų | 62.1 | 23% | 0.226 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -61.4 | -43.5 | 178.8 | -74 | 171.7 | 179.5 | 175.4 | -4 | 111.8 | I1002 S1003 L1008 L1009 N1010 F1025 Q1068 L1069 Y1070 | I1002-R1006 WeakPolarHBondContact O-CG 3.39Å; I1002-R1006 PolarHBondContact O-N 3.32Å; S1003-R1006 PolarHBondContact O-N 2.99Å; R1006-L1008 VanDerWaalsContact C-N 3.29Å; R1006-L1008 PolarHBondContact O-N 3.41Å; R1006-L1009 PolarHBondContact O-N 2.95Å; R1006-N1010 PolarHBondContact O-N 3.21Å; R1006-N1010 PolarHBondContact O-ND2 3.14Å; R1006-F1025 HydrophobicContact CG-CE1 3.92Å; R1006-F1025 HydrophobicContact CG-CZ 4.08Å; R1006-Q1068 PolarHBondContact NH2-O 3.04Å; R1006-L1069 PolarHBondContact NH2-O 3.19Å; R1006-Y1070 VanDerWaalsContact CZ-O 3.23Å; R1006-Y1070 PolarHBondContact NH1-O 2.84Å; R1006-Y1070 PolarHBondContact NH2-O 3.28Å |
| 1007 | N | 92.3 | Very high | 90.1 | Very high | 95 Ų | 95 | 61.2 Ų | 61.2 | 51% | 0.508 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -61.3 | -40.2 | 176.7 | -68.2 | -29.8 | 0 | 0 | 0 | 111.4 | S1003 D1004 I1005 S1011 | S1003-N1007 VanDerWaalsContact O-CG 3.25Å; S1003-N1007 PolarHBondContact O-N 3.27Å; S1003-N1007 PolarHBondContact O-ND2 3.09Å; S1003-N1007 VanDerWaalsContact O-ND2 3.14Å; D1004-N1007 PolarHBondContact O-N 2.95Å; I1005-N1007 VanDerWaalsContact C-N 3.34Å; I1005-N1007 PolarHBondContact O-N 2.92Å; N1007-S1011 PolarHBondContact O-N 2.92Å |
| 1008 | L | 92.1 | Very high | 90 | Very high | 19 Ų | 19 | 58 Ų | 58 | 10% | 0.099 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -67.4 | -44.3 | 176 | -68 | 169.5 | 0 | 0 | 0 | 112.4 | T968 R971 A972 F975 D1004 I1005 R1006 N1010 S1011 L1012 | T968-L1008 HydrophobicContact CG2-CD2 3.98Å; R971-L1008 HydrophobicContact CB-CD1 4.39Å; R971-L1008 HydrophobicContact CG-CD1 3.78Å; R971-L1008 HydrophobicContact CG-CD2 4.3Å; A972-L1008 HydrophobicContact CB-CB 4.11Å; F975-L1008 HydrophobicContact CD2-CD1 3.63Å; F975-L1008 HydrophobicContact CE2-CD1 4.1Å; D1004-L1008 VanDerWaalsContact O-CG 3.29Å; D1004-L1008 WeakPolarHBondContact O-CG 3.34Å; D1004-L1008 PolarHBondContact O-N 3.42Å; D1004-L1008 VanDerWaalsContact O-N 3.09Å; I1005-L1008 PolarHBondContact O-N 3.31Å; R1006-L1008 VanDerWaalsContact C-N 3.29Å; R1006-L1008 PolarHBondContact O-N 3.41Å; L1008-N1010 VanDerWaalsContact C-N 3.31Å; L1008-N1010 PolarHBondContact O-N 3.24Å; L1008-S1011 PolarHBondContact O-N 3.26Å; L1008-S1011 VanDerWaalsContact O-N 3.08Å; L1008-S1011 PolarHBondContact O-OG 3.15Å; L1008-L1012 WeakPolarHBondContact O-CD1 3.41Å; L1008-L1012 PolarHBondContact O-N 3.35Å |
| 1009 | L | 90 | Very high | 89.8 | Confident | 25 Ų | 25 | 62.9 Ų | 62.9 | 13% | 0.131 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -61 | -38.1 | 176.5 | -72.4 | 174.8 | 0 | 0 | 0 | 112.5 | I1005 R1006 S1011 L1012 I1021 F1025 | I1005-L1009 HydrophobicContact CG2-CD1 3.89Å; I1005-L1009 HydrophobicContact CG2-CG 4.22Å; I1005-L1009 WeakPolarHBondContact O-CG 3.49Å; I1005-L1009 PolarHBondContact O-N 2.92Å; R1006-L1009 PolarHBondContact O-N 2.95Å; L1009-S1011 PolarHBondContact O-N 3.25Å; L1009-L1012 HydrophobicContact CD2-CD1 4.14Å; L1009-L1012 PolarHBondContact O-N 3.36Å; L1009-I1021 HydrophobicContact CD2-CB 4.5Å; L1009-I1021 HydrophobicContact CD2-CG2 3.81Å; L1009-F1025 HydrophobicContact CD1-CB 4.3Å; L1009-F1025 HydrophobicContact CD1-CD1 3.49Å; L1009-F1025 VanDerWaalsContact CD1-CD1 3.49Å; L1009-F1025 HydrophobicContact CD1-CE1 4.06Å; L1009-F1025 HydrophobicContact CD1-CG 4.14Å |
| 1010 | N | 89.4 | Confident | 89.8 | Confident | 136 Ų | 136 | 68.6 Ų | 68.6 | 73% | 0.727 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -66.5 | -24.5 | 175.8 | -68.8 | -20.9 | 0 | 0 | 0 | 113.1 | R1006 L1008 | R1006-N1010 PolarHBondContact O-N 3.21Å; R1006-N1010 PolarHBondContact O-ND2 3.14Å; L1008-N1010 VanDerWaalsContact C-N 3.31Å; L1008-N1010 PolarHBondContact O-N 3.24Å |
| 1011 | S | 89.2 | Confident | 89.7 | Confident | 74 Ų | 74 | 64.1 Ų | 64.1 | 52% | 0.517 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -90.3 | -7.8 | 179.1 | 70 | 0 | 0 | 0 | 0 | 114.2 | T968 N1007 L1008 L1009 | T968-S1011 WeakPolarHBondContact CG2-OG 3.34Å; N1007-S1011 PolarHBondContact O-N 2.92Å; L1008-S1011 PolarHBondContact O-N 3.26Å; L1008-S1011 VanDerWaalsContact O-N 3.08Å; L1008-S1011 PolarHBondContact O-OG 3.15Å; L1009-S1011 PolarHBondContact O-N 3.25Å |
| 1012 | L | 88.3 | Confident | 89.7 | Confident | 30 Ų | 30 | 65.8 Ų | 65.8 | 16% | 0.157 | 37% | 0.368 | C | S | . | . | S | Bend | trans | -85.2 | 134 | -177.7 | -86.5 | 151.5 | 0 | 0 | 0 | 111.3 | T968 A969 A972 L1008 L1009 T1018 | T968-L1012 HydrophobicContact CG2-CD1 4.29Å; T968-L1012 HydrophobicContact CG2-CD2 4.31Å; T968-L1012 HydrophobicContact CG2-CG 3.89Å; A969-L1012 HydrophobicContact CB-CD2 3.7Å; A972-L1012 HydrophobicContact CB-CD1 3.86Å; L1008-L1012 WeakPolarHBondContact O-CD1 3.41Å; L1008-L1012 PolarHBondContact O-N 3.35Å; L1009-L1012 HydrophobicContact CD2-CD1 4.14Å; L1009-L1012 PolarHBondContact O-N 3.36Å; L1012-T1018 HydrophobicContact CB-CG2 3.73Å |
| 1013 | E | 85.5 | Confident | 89.6 | Confident | 166 Ų | 166 | 69.5 Ų | 69.5 | 78% | 0.776 | 39% | 0.39 | S | S | * | . | trans | -67.7 | 144.4 | 172 | -68.1 | -175.4 | 174.6 | 0 | 0 | 110.8 | S1015 T1018 | E1013-S1015 PolarHBondContact O-N 3.01Å; E1013-S1015 VanDerWaalsContact O-N 3.12Å; E1013-T1018 PolarHBondContact O-OG1 3.41Å | ||
| 1014 | P | 84.5 | Confident | 89.5 | Confident | 127 Ų | 127 | 69.2 Ų | 69.2 | 83% | 0.825 | 38% | 0.383 | S | S | * | . | trans | -64.6 | 115.1 | 179.6 | 24.4 | -31.4 | 0 | 0 | 0 | 110.4 | ||||
| 1015 | S | 87.6 | Confident | 89.6 | Confident | 41 Ų | 41 | 67.2 Ų | 67.2 | 29% | 0.287 | 37% | 0.371 | S | S | . | . | trans | -146.5 | 159 | -179.6 | 81.7 | 0 | 0 | 0 | 0 | 109.1 | E1013 V1017 T1018 D1019 | E1013-S1015 PolarHBondContact O-N 3.01Å; E1013-S1015 VanDerWaalsContact O-N 3.12Å; S1015-V1017 PolarHBondContact O-N 3.45Å; S1015-V1017 VanDerWaalsContact O-N 3.16Å; S1015-V1017 PolarHBondContact OG-N 3.16Å; S1015-T1018 WeakPolarHBondContact O-CA 3.43Å; S1015-T1018 WeakPolarHBondContact O-CB 3.44Å; S1015-T1018 PolarHBondContact O-N 3.12Å; S1015-T1018 PolarHBondContact OG-N 3.24Å; S1015-T1018 PolarHBondContact OG-OG1 2.63Å; S1015-D1019 PolarHBondContact O-N 3.06Å | ||
| 1016 | P | 85.9 | Confident | 89.5 | Confident | 95 Ų | 95 | 73.6 Ų | 73.6 | 62% | 0.617 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -57.5 | -30.7 | 174.6 | 22.8 | -33.6 | 0 | 0 | 0 | 112.4 | D1019 H1020 | P1016-D1019 PolarHBondContact O-N 3.24Å; P1016-H1020 PolarHBondContact O-CD2 3.13Å; P1016-H1020 PolarHBondContact O-N 3.35Å; P1016-H1020 VanDerWaalsContact O-N 3.12Å |
| 1017 | V | 85.7 | Confident | 89.5 | Confident | 84 Ų | 84 | 75.2 Ų | 75.2 | 51% | 0.509 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -66.9 | -44.1 | 174.4 | -178.6 | 0 | 0 | 0 | 0 | 110.6 | S1015 D1019 H1020 I1021 | S1015-V1017 PolarHBondContact O-N 3.45Å; S1015-V1017 VanDerWaalsContact O-N 3.16Å; S1015-V1017 PolarHBondContact OG-N 3.16Å; V1017-D1019 VanDerWaalsContact C-N 3.3Å; V1017-D1019 PolarHBondContact O-N 3.03Å; V1017-H1020 PolarHBondContact O-N 3.43Å; V1017-I1021 HydrophobicContact CG1-CD1 3.97Å; V1017-I1021 HydrophobicContact CG1-CG1 4.5Å; V1017-I1021 VanDerWaalsContact O-CG1 3.29Å; V1017-I1021 WeakPolarHBondContact O-CG1 3.28Å; V1017-I1021 PolarHBondContact O-N 3.5Å |
| 1018 | T | 87.6 | Confident | 89.4 | Confident | 10 Ų | 10 | 71 Ų | 71 | 6% | 0.061 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -61.1 | -39.6 | 176.8 | -48.1 | 0 | 0 | 0 | 0 | 111.3 | L1012 E1013 S1015 I1021 T1022 | L1012-T1018 HydrophobicContact CB-CG2 3.73Å; E1013-T1018 PolarHBondContact O-OG1 3.41Å; S1015-T1018 WeakPolarHBondContact O-CA 3.43Å; S1015-T1018 WeakPolarHBondContact O-CB 3.44Å; S1015-T1018 PolarHBondContact O-N 3.12Å; S1015-T1018 PolarHBondContact OG-N 3.24Å; S1015-T1018 PolarHBondContact OG-OG1 2.63Å; T1018-I1021 PolarHBondContact O-N 2.99Å; T1018-T1022 WeakPolarHBondContact O-CB 2.92Å; T1018-T1022 PolarHBondContact O-N 3.29Å; T1018-T1022 PolarHBondContact O-OG1 3.1Å |
| 1019 | D | 88.7 | Confident | 89.4 | Confident | 102 Ų | 102 | 71.1 Ų | 71.1 | 55% | 0.545 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -62.5 | -45.5 | 175.4 | -68.6 | -24.9 | 0 | 0 | 0 | 111.2 | S1015 P1016 V1017 I1021 T1022 V1023 | S1015-D1019 PolarHBondContact O-N 3.06Å; P1016-D1019 PolarHBondContact O-N 3.24Å; V1017-D1019 VanDerWaalsContact C-N 3.3Å; V1017-D1019 PolarHBondContact O-N 3.03Å; D1019-I1021 PolarHBondContact O-N 3.1Å; D1019-T1022 PolarHBondContact O-N 2.83Å; D1019-V1023 WeakPolarHBondContact O-CB 3.47Å; D1019-V1023 VanDerWaalsContact O-CG2 3.25Å; D1019-V1023 WeakPolarHBondContact O-CG2 3.34Å; D1019-V1023 PolarHBondContact O-N 3.19Å |
| 1020 | H | 90.9 | Very high | 89.4 | Confident | 143 Ų | 143 | 73.4 Ų | 73.4 | 66% | 0.662 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -60.5 | -44.3 | 175.9 | -79.9 | -63.6 | 0 | 0 | 0 | 112.8 | P1016 V1017 V1023 H1024 | P1016-H1020 PolarHBondContact O-CD2 3.13Å; P1016-H1020 PolarHBondContact O-N 3.35Å; P1016-H1020 VanDerWaalsContact O-N 3.12Å; V1017-H1020 PolarHBondContact O-N 3.43Å; H1020-V1023 PolarHBondContact O-N 3.21Å; H1020-H1024 WeakPolarHBondContact O-CB 3.49Å; H1020-H1024 PolarHBondContact O-N 3.39Å |
| 1021 | I | 90.8 | Very high | 89.3 | Confident | 7 Ų | 7 | 72 Ų | 72 | 4% | 0.036 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -63.6 | -43 | 177.3 | -62.9 | 168.1 | 0 | 0 | 0 | 110.2 | A969 A972 I976 L1009 V1017 T1018 D1019 V1023 H1024 F1025 | A969-I1021 HydrophobicContact CB-CD1 3.95Å; A969-I1021 WeakPolarHBondContact O-CD1 3.46Å; A972-I1021 HydrophobicContact CB-CG2 3.98Å; I976-I1021 HydrophobicContact CD1-CG2 3.45Å; I976-I1021 VanDerWaalsContact CD1-CG2 3.45Å; L1009-I1021 HydrophobicContact CD2-CB 4.5Å; L1009-I1021 HydrophobicContact CD2-CG2 3.81Å; V1017-I1021 HydrophobicContact CG1-CD1 3.97Å; V1017-I1021 HydrophobicContact CG1-CG1 4.5Å; V1017-I1021 VanDerWaalsContact O-CG1 3.29Å; V1017-I1021 WeakPolarHBondContact O-CG1 3.28Å; V1017-I1021 PolarHBondContact O-N 3.5Å; T1018-I1021 PolarHBondContact O-N 2.99Å; D1019-I1021 PolarHBondContact O-N 3.1Å; I1021-V1023 PolarHBondContact O-N 3.25Å; I1021-H1024 WeakPolarHBondContact O-CB 3.41Å; I1021-H1024 PolarHBondContact O-N 3.33Å; I1021-F1025 PolarHBondContact O-N 3.29Å |
| 1022 | T | 90.8 | Very high | 89.2 | Confident | 58 Ų | 58 | 68.4 Ų | 68.4 | 36% | 0.356 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -64.4 | -41.4 | 178.8 | -56 | 0 | 0 | 0 | 0 | 111.5 | T1018 D1019 F1025 K1026 | T1018-T1022 WeakPolarHBondContact O-CB 2.92Å; T1018-T1022 PolarHBondContact O-N 3.29Å; T1018-T1022 PolarHBondContact O-OG1 3.1Å; D1019-T1022 PolarHBondContact O-N 2.83Å; T1022-F1025 PolarHBondContact O-N 3.29Å; T1022-K1026 VanDerWaalsContact O-CB 3.29Å; T1022-K1026 WeakPolarHBondContact O-CB 3.48Å; T1022-K1026 PolarHBondContact O-N 3.48Å |
| 1023 | V | 91.5 | Very high | 89.2 | Confident | 79 Ų | 79 | 70.3 Ų | 70.3 | 48% | 0.479 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -63.4 | -44.7 | 174.3 | 170.3 | 0 | 0 | 0 | 0 | 110.8 | D1019 H1020 I1021 F1025 K1026 N1027 | D1019-V1023 WeakPolarHBondContact O-CB 3.47Å; D1019-V1023 VanDerWaalsContact O-CG2 3.25Å; D1019-V1023 WeakPolarHBondContact O-CG2 3.34Å; D1019-V1023 PolarHBondContact O-N 3.19Å; H1020-V1023 PolarHBondContact O-N 3.21Å; I1021-V1023 PolarHBondContact O-N 3.25Å; V1023-F1025 PolarHBondContact O-N 3.1Å; V1023-K1026 PolarHBondContact O-N 2.85Å; V1023-N1027 WeakPolarHBondContact O-CB 3.44Å; V1023-N1027 PolarHBondContact O-N 3.15Å; V1023-N1027 PolarHBondContact O-ND2 2.88Å |
| 1024 | H | 90.4 | Very high | 89.2 | Confident | 50 Ų | 50 | 68.8 Ų | 68.8 | 23% | 0.231 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -58.1 | -50 | 176.9 | -178.9 | -153 | 0 | 0 | 0 | 111.3 | Q973 I976 D977 N980 H1020 I1021 K1026 N1027 T1028 | Q973-H1024 PolarHBondContact NE2-CE1 3.24Å; Q973-H1024 PolarHBondContact NE2-ND1 2.91Å; Q973-H1024 VanDerWaalsContact NE2-ND1 3.11Å; I976-H1024 WeakPolarHBondContact CG2-CE1 3.4Å; I976-H1024 WeakPolarHBondContact CG2-ND1 3.41Å; D977-H1024 IonicContact OD1-CE1 4Å; N980-H1024 PolarHBondContact ND2-NE2 3.36Å; H1020-H1024 WeakPolarHBondContact O-CB 3.49Å; H1020-H1024 PolarHBondContact O-N 3.39Å; I1021-H1024 WeakPolarHBondContact O-CB 3.41Å; I1021-H1024 PolarHBondContact O-N 3.33Å; H1024-K1026 PolarHBondContact O-N 3.2Å; H1024-N1027 WeakPolarHBondContact O-CB 3.27Å; H1024-N1027 PolarHBondContact O-N 2.91Å; H1024-T1028 PolarHBondContact O-N 3.37Å; H1024-T1028 PolarHBondContact O-OG1 2.9Å |
| 1025 | F | 94.2 | Very high | 89 | Confident | 11 Ų | 11 | 64.2 Ų | 64.2 | 5% | 0.048 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -60.7 | -43.7 | 176.8 | -179.5 | -127.9 | 0 | 0 | 0 | 112.6 | I976 L979 I1002 I1005 R1006 L1009 I1021 T1022 V1023 N1027 T1028 L1029 | I976-F1025 HydrophobicContact CD1-CB 3.8Å; I976-F1025 HydrophobicContact CG1-CB 4.1Å; I976-F1025 HydrophobicContact CG1-CD2 4.18Å; I976-F1025 HydrophobicContact CG1-CG 4.49Å; L979-F1025 HydrophobicContact CD2-CD2 4.18Å; L979-F1025 HydrophobicContact CD2-CE2 3.82Å; I1002-F1025 HydrophobicContact CG1-CE2 4.48Å; I1002-F1025 HydrophobicContact CG2-CZ 4.1Å; I1005-F1025 HydrophobicContact CB-CD2 4.36Å; I1005-F1025 HydrophobicContact CB-CE2 3.94Å; I1005-F1025 HydrophobicContact CB-CZ 4.08Å; I1005-F1025 HydrophobicContact CD1-CD2 4.05Å; I1005-F1025 HydrophobicContact CD1-CE2 3.76Å; I1005-F1025 HydrophobicContact CG1-CE2 4.46Å; I1005-F1025 HydrophobicContact CG2-CB 4.46Å; I1005-F1025 HydrophobicContact CG2-CD1 3.97Å; I1005-F1025 HydrophobicContact CG2-CD2 3.6Å; I1005-F1025 HydrophobicContact CG2-CE1 3.98Å; I1005-F1025 HydrophobicContact CG2-CE2 3.62Å; I1005-F1025 HydrophobicContact CG2-CG 3.76Å; I1005-F1025 HydrophobicContact CG2-CZ 3.79Å; R1006-F1025 HydrophobicContact CG-CE1 3.92Å; R1006-F1025 HydrophobicContact CG-CZ 4.08Å; L1009-F1025 HydrophobicContact CD1-CB 4.3Å; L1009-F1025 HydrophobicContact CD1-CD1 3.49Å; L1009-F1025 VanDerWaalsContact CD1-CD1 3.49Å; L1009-F1025 HydrophobicContact CD1-CE1 4.06Å; L1009-F1025 HydrophobicContact CD1-CG 4.14Å; I1021-F1025 PolarHBondContact O-N 3.29Å; T1022-F1025 PolarHBondContact O-N 3.29Å; V1023-F1025 PolarHBondContact O-N 3.1Å; F1025-N1027 VanDerWaalsContact C-N 3.29Å; F1025-N1027 PolarHBondContact O-N 3.39Å; F1025-T1028 WeakPolarHBondContact O-CB 3.49Å; F1025-T1028 PolarHBondContact O-N 3.22Å; F1025-T1028 VanDerWaalsContact O-N 3.16Å; F1025-L1029 HydrophobicContact CD1-CD1 4.08Å; F1025-L1029 HydrophobicContact CD2-CG 4.33Å; F1025-L1029 HydrophobicContact CE1-CD1 3.66Å; F1025-L1029 HydrophobicContact CE1-CG 4.33Å; F1025-L1029 HydrophobicContact CE2-CD1 4.24Å; F1025-L1029 HydrophobicContact CE2-CD2 4Å; F1025-L1029 HydrophobicContact CE2-CG 4.03Å; F1025-L1029 HydrophobicContact CZ-CD1 3.77Å; F1025-L1029 HydrophobicContact CZ-CD2 4.04Å; F1025-L1029 HydrophobicContact CZ-CG 4.05Å; F1025-L1029 WeakPolarHBondContact O-CG 3.47Å; F1025-L1029 PolarHBondContact O-N 2.8Å |
| 1026 | K | 92.2 | Very high | 88.7 | Confident | 133 Ų | 133 | 64.5 Ų | 64.5 | 58% | 0.578 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -62 | -38.3 | 177.9 | -165.5 | 176.8 | -173.7 | 176.1 | 0 | 111.7 | T1022 V1023 H1024 L1029 N1030 | T1022-K1026 VanDerWaalsContact O-CB 3.29Å; T1022-K1026 WeakPolarHBondContact O-CB 3.48Å; T1022-K1026 PolarHBondContact O-N 3.48Å; V1023-K1026 PolarHBondContact O-N 2.85Å; H1024-K1026 PolarHBondContact O-N 3.2Å; K1026-L1029 PolarHBondContact O-N 3.26Å; K1026-N1030 WeakPolarHBondContact O-CB 3.39Å; K1026-N1030 PolarHBondContact O-N 3.45Å; K1026-N1030 PolarHBondContact O-ND2 3.37Å |
| 1027 | N | 91.8 | Very high | 88.4 | Confident | 94 Ų | 94 | 65.3 Ų | 65.3 | 50% | 0.503 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -64.6 | -42.1 | 174.5 | -69.6 | -19 | 0 | 0 | 0 | 111.7 | V1023 H1024 F1025 N1030 Y1031 | V1023-N1027 WeakPolarHBondContact O-CB 3.44Å; V1023-N1027 PolarHBondContact O-N 3.15Å; V1023-N1027 PolarHBondContact O-ND2 2.88Å; H1024-N1027 WeakPolarHBondContact O-CB 3.27Å; H1024-N1027 PolarHBondContact O-N 2.91Å; F1025-N1027 VanDerWaalsContact C-N 3.29Å; F1025-N1027 PolarHBondContact O-N 3.39Å; N1027-N1030 PolarHBondContact O-N 3.38Å; N1027-Y1031 PolarHBondContact O-N 2.96Å |
| 1028 | T | 90.9 | Very high | 87.7 | Confident | 7 Ų | 7 | 63.2 Ų | 63.2 | 4% | 0.043 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -59.7 | -47.4 | 173.3 | -57.5 | 0 | 0 | 0 | 0 | 111.8 | L979 N980 H1024 F1025 N1030 Y1031 I1032 | L979-T1028 HydrophobicContact CD2-CG2 3.77Å; L979-T1028 HydrophobicContact CG-CG2 3.99Å; N980-T1028 WeakPolarHBondContact OD1-CB 3.45Å; N980-T1028 WeakPolarHBondContact OD1-CG2 3.48Å; N980-T1028 PolarHBondContact OD1-OG1 3.39Å; H1024-T1028 PolarHBondContact O-N 3.37Å; H1024-T1028 PolarHBondContact O-OG1 2.9Å; F1025-T1028 WeakPolarHBondContact O-CB 3.49Å; F1025-T1028 PolarHBondContact O-N 3.22Å; F1025-T1028 VanDerWaalsContact O-N 3.16Å; T1028-N1030 VanDerWaalsContact C-N 3.32Å; T1028-N1030 PolarHBondContact O-N 3.29Å; T1028-Y1031 WeakPolarHBondContact O-CB 3.38Å; T1028-Y1031 PolarHBondContact O-N 2.9Å; T1028-Y1031 VanDerWaalsContact O-N 3.15Å; T1028-I1032 HydrophobicContact CG2-CD1 4.21Å; T1028-I1032 WeakPolarHBondContact O-CG1 3.45Å; T1028-I1032 PolarHBondContact O-N 3.4Å |
| 1029 | L | 91.7 | Very high | 86.4 | Confident | 22 Ų | 22 | 64.7 Ų | 64.7 | 12% | 0.115 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -62.6 | -38.9 | 177.1 | -66.2 | 178.5 | 0 | 0 | 0 | 112.2 | I1002 F1025 K1026 Y1031 I1032 R1033 L1069 | I1002-L1029 HydrophobicContact CD1-CD2 3.92Å; I1002-L1029 HydrophobicContact CG1-CD2 4.17Å; I1002-L1029 HydrophobicContact CG2-CD2 4.42Å; F1025-L1029 HydrophobicContact CD1-CD1 4.08Å; F1025-L1029 HydrophobicContact CD2-CG 4.33Å; F1025-L1029 HydrophobicContact CE1-CD1 3.66Å; F1025-L1029 HydrophobicContact CE1-CG 4.33Å; F1025-L1029 HydrophobicContact CE2-CD1 4.24Å; F1025-L1029 HydrophobicContact CE2-CD2 4Å; F1025-L1029 HydrophobicContact CE2-CG 4.03Å; F1025-L1029 HydrophobicContact CZ-CD1 3.77Å; F1025-L1029 HydrophobicContact CZ-CD2 4.04Å; F1025-L1029 HydrophobicContact CZ-CG 4.05Å; F1025-L1029 WeakPolarHBondContact O-CG 3.47Å; F1025-L1029 PolarHBondContact O-N 2.8Å; K1026-L1029 PolarHBondContact O-N 3.26Å; L1029-Y1031 VanDerWaalsContact C-N 3.32Å; L1029-I1032 PolarHBondContact O-N 3.14Å; L1029-R1033 WeakPolarHBondContact O-CB 3.42Å; L1029-R1033 PolarHBondContact O-N 3.37Å; L1029-L1069 HydrophobicContact CB-CD2 4.4Å; L1029-L1069 HydrophobicContact CD2-CD2 3.69Å |
| 1030 | N | 90.1 | Very high | 84.9 | Confident | 72 Ų | 72 | 62.4 Ų | 62.4 | 39% | 0.385 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -64 | -38.3 | 174.7 | -72.6 | -24.3 | 0 | 0 | 0 | 111.7 | K1026 N1027 T1028 R1033 Y1034 | K1026-N1030 WeakPolarHBondContact O-CB 3.39Å; K1026-N1030 PolarHBondContact O-N 3.45Å; K1026-N1030 PolarHBondContact O-ND2 3.37Å; N1027-N1030 PolarHBondContact O-N 3.38Å; T1028-N1030 VanDerWaalsContact C-N 3.32Å; T1028-N1030 PolarHBondContact O-N 3.29Å; N1030-R1033 PolarHBondContact O-N 2.72Å; N1030-Y1034 WeakPolarHBondContact O-CB 3.43Å; N1030-Y1034 PolarHBondContact O-N 2.85Å |
| 1031 | Y | 87.2 | Confident | 83 | Confident | 106 Ų | 106 | 59 Ų | 59 | 42% | 0.416 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -65.5 | -44.6 | 174.7 | -177 | -111.4 | 0 | 0 | 0 | 111.7 | V983 L987 N1027 T1028 L1029 R1033 Y1034 E1035 | V983-Y1031 HydrophobicContact CG1-CD1 4.3Å; V983-Y1031 HydrophobicContact CG1-CE1 4.28Å; L987-Y1031 HydrophobicContact CD1-CE1 3.7Å; N1027-Y1031 PolarHBondContact O-N 2.96Å; T1028-Y1031 WeakPolarHBondContact O-CB 3.38Å; T1028-Y1031 PolarHBondContact O-N 2.9Å; T1028-Y1031 VanDerWaalsContact O-N 3.15Å; L1029-Y1031 VanDerWaalsContact C-N 3.32Å; Y1031-R1033 VanDerWaalsContact C-N 3.32Å; Y1031-R1033 PolarHBondContact O-N 2.95Å; Y1031-Y1034 HydrophobicContact CE2-CD1 4.46Å; Y1031-Y1034 WeakPolarHBondContact O-CB 3.25Å; Y1031-Y1034 PolarHBondContact O-N 2.75Å; Y1031-Y1034 VanDerWaalsContact O-N 3.14Å; Y1031-E1035 HydrophobicContact CE1-CG 4.05Å; Y1031-E1035 HydrophobicContact CE2-CG 4.09Å; Y1031-E1035 WeakPolarHBondContact CE2-OE1 3.44Å; Y1031-E1035 VanDerWaalsContact CZ-OE1 3.28Å; Y1031-E1035 WeakPolarHBondContact O-CG 3.43Å; Y1031-E1035 PolarHBondContact O-N 3.2Å; Y1031-E1035 PolarHBondContact OH-OE1 3.45Å |
| 1032 | I | 87.4 | Confident | 80.8 | Confident | 0 Ų | 0 | 67.8 Ų | 67.8 | 0% | 0 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -60.5 | -42.5 | 174.3 | -60.5 | 166 | 0 | 0 | 0 | 110.7 | V983 I1002 T1028 L1029 Y1034 E1035 Q1036 F1064 V1067 L1069 | V983-I1032 HydrophobicContact CG1-CG1 4.07Å; V983-I1032 HydrophobicContact CG2-CD1 3.69Å; V983-I1032 HydrophobicContact CG2-CG1 3.8Å; I1002-I1032 HydrophobicContact CD1-CD1 4.43Å; T1028-I1032 HydrophobicContact CG2-CD1 4.21Å; T1028-I1032 WeakPolarHBondContact O-CG1 3.45Å; T1028-I1032 PolarHBondContact O-N 3.4Å; L1029-I1032 PolarHBondContact O-N 3.14Å; I1032-Y1034 VanDerWaalsContact C-N 3.32Å; I1032-Y1034 PolarHBondContact O-N 2.9Å; I1032-E1035 PolarHBondContact O-N 2.76Å; I1032-Q1036 WeakPolarHBondContact O-CG 3.49Å; I1032-Q1036 PolarHBondContact O-N 3.31Å; I1032-F1064 HydrophobicContact CG2-CB 4.08Å; I1032-F1064 HydrophobicContact CG2-CD1 4.45Å; I1032-F1064 HydrophobicContact CG2-CD2 4.2Å; I1032-F1064 HydrophobicContact CG2-CG 4.01Å; I1032-V1067 HydrophobicContact CG2-CG1 4.15Å; I1032-L1069 HydrophobicContact CB-CD2 4.02Å; I1032-L1069 HydrophobicContact CD1-CD2 4.42Å; I1032-L1069 HydrophobicContact CG2-CD1 4.41Å; I1032-L1069 HydrophobicContact CG2-CD2 3.86Å |
| 1033 | R | 87.4 | Confident | 78.4 | Confident | 69 Ų | 69 | 67.9 Ų | 67.9 | 26% | 0.26 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -59.5 | -43.6 | 174.6 | -173.8 | -179.9 | -92.1 | 130.1 | -1.2 | 111.7 | L1029 N1030 Y1031 E1035 Q1036 Q1037 L1069 Y1070 | L1029-R1033 WeakPolarHBondContact O-CB 3.42Å; L1029-R1033 PolarHBondContact O-N 3.37Å; N1030-R1033 PolarHBondContact O-N 2.72Å; Y1031-R1033 VanDerWaalsContact C-N 3.32Å; Y1031-R1033 PolarHBondContact O-N 2.95Å; R1033-E1035 VanDerWaalsContact C-N 3.34Å; R1033-Q1036 WeakPolarHBondContact O-CB 3.37Å; R1033-Q1036 PolarHBondContact O-N 3.33Å; R1033-Q1037 WeakPolarHBondContact O-CG 3.26Å; R1033-Q1037 PolarHBondContact O-N 3.23Å; R1033-L1069 HydrophobicContact CB-CD1 3.6Å; R1033-L1069 HydrophobicContact CG-CD1 4.24Å; R1033-Y1070 VanDerWaalsContact NH2-CE1 3.33Å; R1033-Y1070 PolarHBondContact NH2-OH 2.99Å |
| 1034 | Y | 84.9 | Confident | 75.6 | Confident | 134 Ų | 134 | 71.1 Ų | 71.1 | 53% | 0.525 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -60.2 | -45.6 | 177.4 | 174.8 | -98.4 | 0 | 0 | 0 | 110.8 | N1030 Y1031 I1032 Q1036 Q1037 T1038 | N1030-Y1034 WeakPolarHBondContact O-CB 3.43Å; N1030-Y1034 PolarHBondContact O-N 2.85Å; Y1031-Y1034 HydrophobicContact CE2-CD1 4.46Å; Y1031-Y1034 WeakPolarHBondContact O-CB 3.25Å; Y1031-Y1034 PolarHBondContact O-N 2.75Å; Y1031-Y1034 VanDerWaalsContact O-N 3.14Å; I1032-Y1034 VanDerWaalsContact C-N 3.32Å; I1032-Y1034 PolarHBondContact O-N 2.9Å; Y1034-Q1036 PolarHBondContact O-N 3.2Å; Y1034-Q1037 PolarHBondContact O-N 3.18Å; Y1034-T1038 HydrophobicContact CD1-CG2 4.18Å; Y1034-T1038 HydrophobicContact CD2-CG2 4.29Å; Y1034-T1038 HydrophobicContact CE1-CG2 3.74Å; Y1034-T1038 HydrophobicContact CE2-CG2 3.86Å; Y1034-T1038 HydrophobicContact CG-CG2 4.44Å; Y1034-T1038 WeakPolarHBondContact O-CG2 3.01Å; Y1034-T1038 PolarHBondContact O-N 3.49Å; Y1034-T1038 PolarHBondContact O-OG1 2.83Å |
| 1035 | E | 81.3 | Confident | 73.2 | Confident | 31 Ų | 31 | 74 Ų | 74 | 15% | 0.145 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -66.7 | -34.1 | 176.9 | -65.4 | -63.2 | 156.9 | 0 | 0 | 113.2 | L987 Y1031 I1032 R1033 Q1037 T1038 T1039 F1064 | L987-E1035 HydrophobicContact CD1-CG 4.26Å; L987-E1035 HydrophobicContact CD2-CB 4.37Å; L987-E1035 HydrophobicContact CD2-CG 3.99Å; Y1031-E1035 HydrophobicContact CE1-CG 4.05Å; Y1031-E1035 HydrophobicContact CE2-CG 4.09Å; Y1031-E1035 WeakPolarHBondContact CE2-OE1 3.44Å; Y1031-E1035 VanDerWaalsContact CZ-OE1 3.28Å; Y1031-E1035 WeakPolarHBondContact O-CG 3.43Å; Y1031-E1035 PolarHBondContact O-N 3.2Å; Y1031-E1035 PolarHBondContact OH-OE1 3.45Å; I1032-E1035 PolarHBondContact O-N 2.76Å; R1033-E1035 VanDerWaalsContact C-N 3.34Å; E1035-Q1037 VanDerWaalsContact C-N 3.33Å; E1035-Q1037 PolarHBondContact O-N 3.05Å; E1035-T1038 WeakPolarHBondContact CA-OG1 3.42Å; E1035-T1038 PolarHBondContact O-OG1 2.97Å; E1035-T1039 PolarHBondContact O-N 3.02Å; E1035-T1039 PolarHBondContact O-OG1 3.18Å; E1035-F1064 HydrophobicContact CB-CD2 4.02Å; E1035-F1064 HydrophobicContact CB-CE2 3.9Å |
| 1036 | Q | 81.3 | Confident | 70.4 | Confident | 47 Ų | 47 | 79.9 Ų | 79.9 | 22% | 0.22 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -61.4 | -39.9 | 170.4 | -76 | 175.9 | -16 | 0 | 0 | 112.1 | I1032 R1033 Y1034 T1039 S1040 F1064 V1067 | I1032-Q1036 WeakPolarHBondContact O-CG 3.49Å; I1032-Q1036 PolarHBondContact O-N 3.31Å; R1033-Q1036 WeakPolarHBondContact O-CB 3.37Å; R1033-Q1036 PolarHBondContact O-N 3.33Å; Y1034-Q1036 PolarHBondContact O-N 3.2Å; Q1036-T1039 PolarHBondContact O-OG1 2.99Å; Q1036-T1039 VanDerWaalsContact O-OG1 3.12Å; Q1036-S1040 PolarHBondContact O-N 3.27Å; Q1036-F1064 HydrophobicContact CG-CB 3.66Å; Q1036-F1064 PolarHBondContact NE2-O 3.13Å; Q1036-V1067 PolarHBondContact NE2-O 3.16Å; Q1036-V1067 VanDerWaalsContact NE2-O 3.17Å |
| 1037 | Q | 79.8 | Confident | 67.5 | Low | 112 Ų | 112 | 81 Ų | 81 | 52% | 0.523 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -75.8 | -43.5 | -178.6 | -71.5 | 175.6 | 0.4 | 0 | 0 | 112.1 | R1033 Y1034 E1035 T1039 S1040 A1041 | R1033-Q1037 WeakPolarHBondContact O-CG 3.26Å; R1033-Q1037 PolarHBondContact O-N 3.23Å; Y1034-Q1037 PolarHBondContact O-N 3.18Å; E1035-Q1037 VanDerWaalsContact C-N 3.33Å; E1035-Q1037 PolarHBondContact O-N 3.05Å; Q1037-T1039 VanDerWaalsContact C-N 3.31Å; Q1037-T1039 PolarHBondContact O-N 3.16Å; Q1037-S1040 PolarHBondContact O-N 2.75Å; Q1037-S1040 VanDerWaalsContact O-N 3.13Å; Q1037-S1040 PolarHBondContact O-OG 3.17Å; Q1037-A1041 PolarHBondContact O-N 3.49Å; Q1037-A1041 VanDerWaalsContact O-N 3.1Å |
| 1038 | T | 71.6 | Confident | 64.7 | Low | 41 Ų | 41 | 82 Ų | 82 | 25% | 0.252 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -65.7 | -34.5 | 179.4 | 56 | 0 | 0 | 0 | 0 | 112.3 | Y1034 E1035 A1041 K1042 | Y1034-T1038 HydrophobicContact CD1-CG2 4.18Å; Y1034-T1038 HydrophobicContact CD2-CG2 4.29Å; Y1034-T1038 HydrophobicContact CE1-CG2 3.74Å; Y1034-T1038 HydrophobicContact CE2-CG2 3.86Å; Y1034-T1038 HydrophobicContact CG-CG2 4.44Å; Y1034-T1038 WeakPolarHBondContact O-CG2 3.01Å; Y1034-T1038 PolarHBondContact O-N 3.49Å; Y1034-T1038 PolarHBondContact O-OG1 2.83Å; E1035-T1038 WeakPolarHBondContact CA-OG1 3.42Å; E1035-T1038 PolarHBondContact O-OG1 2.97Å; T1038-A1041 PolarHBondContact O-N 2.69Å; T1038-K1042 PolarHBondContact O-N 2.68Å |
| 1039 | T | 60 | Low | 61.8 | Low | 41 Ų | 41 | 89.5 Ų | 89.5 | 25% | 0.252 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -70.1 | -30.6 | 172.8 | 45.6 | 0 | 0 | 0 | 0 | 112.9 | E1035 Q1036 Q1037 L1063 | E1035-T1039 PolarHBondContact O-N 3.02Å; E1035-T1039 PolarHBondContact O-OG1 3.18Å; Q1036-T1039 PolarHBondContact O-OG1 2.99Å; Q1036-T1039 VanDerWaalsContact O-OG1 3.12Å; Q1037-T1039 VanDerWaalsContact C-N 3.31Å; Q1037-T1039 PolarHBondContact O-N 3.16Å; T1039-L1063 HydrophobicContact CG2-CB 3.83Å; T1039-L1063 HydrophobicContact CG2-CD2 4.48Å |
| 1040 | S | 56.4 | Low | 59.2 | Low | 53 Ų | 53 | 94.7 Ų | 94.7 | 37% | 0.371 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -70.8 | -31.5 | 173 | 75.4 | 0 | 0 | 0 | 0 | 113.9 | Q1036 Q1037 S1043 | Q1036-S1040 PolarHBondContact O-N 3.27Å; Q1037-S1040 PolarHBondContact O-N 2.75Å; Q1037-S1040 VanDerWaalsContact O-N 3.13Å; Q1037-S1040 PolarHBondContact O-OG 3.17Å; S1040-S1043 PolarHBondContact O-OG 2.94Å |
| 1041 | A | 51.2 | Low | 56.4 | Low | 73 Ų | 73 | 98.7 Ų | 98.7 | 60% | 0.603 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -78.4 | -23.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q1037 T1038 S1043 | Q1037-A1041 PolarHBondContact O-N 3.49Å; Q1037-A1041 VanDerWaalsContact O-N 3.1Å; T1038-A1041 PolarHBondContact O-N 2.69Å; A1041-S1043 PolarHBondContact O-N 3.33Å |
| 1042 | K | 45.2 | Very low | 53.7 | Low | 190 Ų | 190 | 99.9 Ų | 99.9 | 83% | 0.826 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.5 | -5.9 | 176.9 | -75.5 | -179.2 | 178.7 | 175.4 | 0 | 113.7 | T1038 | T1038-K1042 PolarHBondContact O-N 2.68Š|
| 1043 | S | 40.7 | Very low | 51 | Low | 61 Ų | 61 | 107.3 Ų | 107.3 | 43% | 0.427 | 59% | 0.591 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -104.6 | 18.3 | -171.9 | 63.5 | 0 | 0 | 0 | 0 | 116 | S1040 A1041 P1045 | S1040-S1043 PolarHBondContact O-OG 2.94Å; A1041-S1043 PolarHBondContact O-N 3.33Å; S1043-P1045 WeakPolarHBondContact O-CD 3.23Å |
| 1044 | D | 32.6 | Very low | 48.7 | Very low | 147 Ų | 147 | 109.1 Ų | 109.1 | 79% | 0.786 | 61% | 0.611 | S | S | * | * | trans | -76.4 | 108.7 | 171.5 | -78.4 | -18 | 0 | 0 | 0 | 109.9 | ||||
| 1045 | P | 39.1 | Very low | 46.2 | Very low | 110 Ų | 110 | 110.4 Ų | 110.4 | 71% | 0.714 | 63% | 0.627 | S | S | * | * | trans | -89.7 | 129.3 | -169.9 | 32.8 | -23.6 | 0 | 0 | 0 | 110.3 | S1043 N1047 | S1043-P1045 WeakPolarHBondContact O-CD 3.23Å; P1045-N1047 PolarHBondContact O-N 3.06Å; P1045-N1047 VanDerWaalsContact O-N 3.15Å | ||
| 1046 | V | 36.4 | Very low | 43.9 | Very low | 134 Ų | 134 | 114.8 Ų | 114.8 | 81% | 0.812 | 66% | 0.656 | S | S | * | * | trans | -62.4 | 113.1 | 166.5 | 175.9 | 0 | 0 | 0 | 0 | 108.1 | V1048 | V1046-V1048 HydrophobicContact CG1-CG2 4.38Å; V1046-V1048 PolarHBondContact O-N 3.19Å | ||
| 1047 | N | 30.3 | Very low | 41.4 | Very low | 156 Ų | 156 | 121.8 Ų | 121.8 | 83% | 0.834 | 69% | 0.688 | S | S | * | * | trans | -52.1 | 105.6 | 174 | -101.9 | -17.6 | 0 | 0 | 0 | 111 | P1045 | P1045-N1047 PolarHBondContact O-N 3.06Å; P1045-N1047 VanDerWaalsContact O-N 3.15Å | ||
| 1048 | V | 33.7 | Very low | 39.3 | Very low | 117 Ų | 117 | 121.1 Ų | 121.1 | 71% | 0.709 | 70% | 0.696 | S | S | * | * | trans | -129.4 | 105.2 | 161.3 | -176.4 | 0 | 0 | 0 | 0 | 107.8 | V1046 V1050 | V1046-V1048 HydrophobicContact CG1-CG2 4.38Å; V1046-V1048 PolarHBondContact O-N 3.19Å; V1048-V1050 HydrophobicContact CG1-CG2 4.36Å; V1048-V1050 PolarHBondContact O-N 3.36Å | ||
| 1049 | N | 30.5 | Very low | 37.6 | Very low | 163 Ų | 163 | 126.8 Ų | 126.8 | 87% | 0.872 | 72% | 0.724 | S | S | * | * | trans | -61.5 | 111.6 | 168.7 | -91.4 | -15.1 | 0 | 0 | 0 | 109.6 | ||||
| 1050 | V | 35.6 | Very low | 36.6 | Very low | 131 Ų | 131 | 130.4 Ų | 130.4 | 79% | 0.794 | 75% | 0.751 | S | S | * | * | trans | -141.3 | 135.5 | 154.4 | -177.9 | 0 | 0 | 0 | 0 | 108.7 | V1048 | V1048-V1050 HydrophobicContact CG1-CG2 4.36Å; V1048-V1050 PolarHBondContact O-N 3.36Å | ||
| 1051 | D | 31.8 | Very low | 36.4 | Very low | 156 Ų | 156 | 131.8 Ų | 131.8 | 83% | 0.834 | 76% | 0.761 | S | S | * | * | trans | -52.7 | 142.8 | -169.1 | -73.2 | -54.8 | 0 | 0 | 0 | 115.6 | ||||
| 1052 | T | 30.3 | Very low | 37 | Very low | 132 Ų | 132 | 133.9 Ų | 133.9 | 81% | 0.81 | 76% | 0.756 | S | S | * | * | trans | -56.8 | 120.3 | -175.5 | 44 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1053 | N | 30.4 | Very low | 38.3 | Very low | 156 Ų | 156 | 126.6 Ų | 126.6 | 83% | 0.834 | 73% | 0.726 | S | S | * | * | trans | -119.8 | 111.6 | 149.4 | -151.5 | 5.4 | 0 | 0 | 0 | 107.4 | D1055 | N1053-D1055 PolarHBondContact O-N 3.12Š| ||
| 1054 | P | 40.3 | Very low | 40.2 | Very low | 106 Ų | 106 | 123.7 Ų | 123.7 | 69% | 0.688 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.6 | 84.8 | -166.5 | 34.9 | -30.2 | 0 | 0 | 0 | 109.8 | ||
| 1055 | D | 31.9 | Very low | 42.3 | Very low | 161 Ų | 161 | 120.1 Ų | 120.1 | 86% | 0.861 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -156.9 | 13.7 | 163.5 | -97.8 | -26.2 | 0 | 0 | 0 | 114.8 | N1053 | N1053-D1055 PolarHBondContact O-N 3.12Š|
| 1056 | V | 33.2 | Very low | 44.2 | Very low | 124 Ų | 124 | 117.9 Ų | 117.9 | 75% | 0.752 | 68% | 0.684 | S | S | * | * | trans | -131.5 | 61.3 | 174.1 | -164.6 | 0 | 0 | 0 | 0 | 110.5 | S1058 | V1056-S1058 VanDerWaalsContact C-N 3.34Š| ||
| 1057 | Q | 28.4 | Very low | 46.3 | Very low | 193 Ų | 193 | 111.9 Ų | 111.9 | 90% | 0.902 | 65% | 0.647 | S | S | * | * | trans | -100.7 | 62.8 | 153 | -77.6 | -175.9 | -7.5 | 0 | 0 | 108 | L1059 | Q1057-L1059 PolarHBondContact O-N 2.94Å; Q1057-L1059 VanDerWaalsContact O-N 3.17Å | ||
| 1058 | S | 35.8 | Very low | 48.6 | Very low | 98 Ų | 98 | 111 Ų | 111 | 69% | 0.685 | 64% | 0.638 | S | S | * | * | trans | -66.9 | 113.4 | 166.5 | 56.5 | 0 | 0 | 0 | 0 | 108.1 | V1056 S1060 | V1056-S1058 VanDerWaalsContact C-N 3.34Å; S1058-S1060 PolarHBondContact O-N 3.12Å | ||
| 1059 | L | 35.2 | Very low | 50.6 | Low | 161 Ų | 161 | 106.1 Ų | 106.1 | 84% | 0.843 | 61% | 0.608 | S | S | * | * | trans | -38.5 | 105.2 | 177.5 | -67.7 | 93.1 | 0 | 0 | 0 | 112.6 | Q1057 S1061 | Q1057-L1059 PolarHBondContact O-N 2.94Å; Q1057-L1059 VanDerWaalsContact O-N 3.17Å; L1059-S1061 PolarHBondContact O-N 3.18Å; L1059-S1061 VanDerWaalsContact O-N 3.08Å | ||
| 1060 | S | 39.6 | Very low | 52.4 | Low | 116 Ų | 116 | 109.3 Ų | 109.3 | 81% | 0.811 | 61% | 0.609 | S | S | * | * | trans | -77 | 81 | 149.6 | 60.7 | 0 | 0 | 0 | 0 | 106.9 | S1058 K1062 | S1058-S1060 PolarHBondContact O-N 3.12Å; S1060-K1062 PolarHBondContact O-N 3.44Å | ||
| 1061 | S | 52.9 | Low | 53.2 | Low | 82 Ų | 82 | 108.3 Ų | 108.3 | 57% | 0.573 | 60% | 0.6 | S | S | * | * | trans | -59 | 110 | 173.1 | 58.9 | 0 | 0 | 0 | 0 | 107.6 | L1059 L1063 | L1059-S1061 PolarHBondContact O-N 3.18Å; L1059-S1061 VanDerWaalsContact O-N 3.08Å; S1061-L1063 PolarHBondContact O-N 3.42Å | ||
| 1062 | K | 64 | Low | 54.3 | Low | 117 Ų | 117 | 105.7 Ų | 105.7 | 51% | 0.509 | 59% | 0.588 | S | S | . | * | trans | -51 | 124.6 | 176.3 | -76.7 | -178.7 | 179 | -177.9 | 0 | 108.6 | S1060 F1064 A1065 | S1060-K1062 PolarHBondContact O-N 3.44Å; K1062-F1064 PolarHBondContact O-N 2.65Å; K1062-A1065 HydrophobicContact CB-CB 3.78Å; K1062-A1065 VanDerWaalsContact O-CB 3.25Å; K1062-A1065 WeakPolarHBondContact O-CB 3.36Å; K1062-A1065 PolarHBondContact O-N 3.42Å; K1062-A1065 VanDerWaalsContact O-N 3.12Å | ||
| 1063 | L | 72.3 | Confident | 55.7 | Low | 38 Ų | 38 | 104.3 Ų | 104.3 | 20% | 0.199 | 58% | 0.576 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -58.8 | 129.5 | -175 | -162.3 | 84.3 | 0 | 0 | 0 | 109.7 | R986 L987 T1039 S1061 A1065 | R986-L1063 HydrophobicContact CG-CD1 4.21Å; L987-L1063 HydrophobicContact CD2-CD2 3.33Å; L987-L1063 HydrophobicContact CG-CD2 4.12Å; T1039-L1063 HydrophobicContact CG2-CB 3.83Å; T1039-L1063 HydrophobicContact CG2-CD2 4.48Å; S1061-L1063 PolarHBondContact O-N 3.42Å; L1063-A1065 PolarHBondContact O-N 3.1Å |
| 1064 | F | 79.7 | Confident | 57.2 | Low | 0 Ų | 0 | 101.2 Ų | 101.2 | 0% | 0 | 56% | 0.56 | C | S | . | * | T | Hydrogen-bonded Turn | trans | 61.3 | 16.6 | -178.7 | -48.4 | -60.6 | 0 | 0 | 0 | 115.5 | V983 R986 L987 D995 I998 I1032 E1035 Q1036 K1062 S1066 V1067 | V983-F1064 HydrophobicContact CB-CZ 4.49Å; V983-F1064 HydrophobicContact CG1-CE1 4.43Å; V983-F1064 HydrophobicContact CG1-CE2 4.43Å; V983-F1064 HydrophobicContact CG1-CZ 3.81Å; R986-F1064 HydrophobicContact CB-CE1 3.89Å; R986-F1064 HydrophobicContact CB-CZ 4.16Å; R986-F1064 HydrophobicContact CG-CD1 4.17Å; R986-F1064 HydrophobicContact CG-CE1 3.4Å; R986-F1064 VanDerWaalsContact CG-CE1 3.4Å; R986-F1064 HydrophobicContact CG-CZ 3.89Å; L987-F1064 HydrophobicContact CD2-CE2 4.02Å; L987-F1064 HydrophobicContact CD2-CZ 4.44Å; L987-F1064 HydrophobicContact CG-CE2 4.01Å; L987-F1064 HydrophobicContact CG-CZ 3.96Å; D995-F1064 VanDerWaalsContact OD2-C 3.25Å; D995-F1064 WeakPolarHBondContact OD2-CA 3.48Å; I998-F1064 HydrophobicContact CD1-CD1 3.83Å; I998-F1064 HydrophobicContact CD1-CE1 3.58Å; I1032-F1064 HydrophobicContact CG2-CB 4.08Å; I1032-F1064 HydrophobicContact CG2-CD1 4.45Å; I1032-F1064 HydrophobicContact CG2-CD2 4.2Å; I1032-F1064 HydrophobicContact CG2-CG 4.01Å; E1035-F1064 HydrophobicContact CB-CD2 4.02Å; E1035-F1064 HydrophobicContact CB-CE2 3.9Å; Q1036-F1064 HydrophobicContact CG-CB 3.66Å; Q1036-F1064 PolarHBondContact NE2-O 3.13Å; K1062-F1064 PolarHBondContact O-N 2.65Å; F1064-S1066 PolarHBondContact O-N 3.08Å; F1064-S1066 VanDerWaalsContact O-N 3.16Å; F1064-V1067 HydrophobicContact CB-CB 4.14Å; F1064-V1067 HydrophobicContact CB-CG2 3.78Å; F1064-V1067 HydrophobicContact CD1-CG2 3.96Å; F1064-V1067 HydrophobicContact CG-CG2 4.35Å; F1064-V1067 WeakPolarHBondContact O-CB 3.19Å; F1064-V1067 PolarHBondContact O-N 3.32Å |
| 1065 | A | 76.5 | Confident | 58.2 | Low | 71 Ų | 71 | 100.9 Ų | 100.9 | 59% | 0.587 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.4 | -28.9 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | D995 K1062 L1063 | D995-A1065 PolarHBondContact OD2-N 3.32Å; K1062-A1065 HydrophobicContact CB-CB 3.78Å; K1062-A1065 VanDerWaalsContact O-CB 3.25Å; K1062-A1065 WeakPolarHBondContact O-CB 3.36Å; K1062-A1065 PolarHBondContact O-N 3.42Å; K1062-A1065 VanDerWaalsContact O-N 3.12Å; L1063-A1065 PolarHBondContact O-N 3.1Å |
| 1066 | S | 80.1 | Confident | 60 | Low | 64 Ų | 64 | 96.9 Ų | 96.9 | 45% | 0.448 | 53% | 0.532 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.3 | 3.4 | 177 | 40.2 | 0 | 0 | 0 | 0 | 113.7 | D995 N999 F1064 Q1068 | D995-S1066 WeakPolarHBondContact CB-OG 3.37Å; D995-S1066 VanDerWaalsContact CG-OG 3.23Å; D995-S1066 PolarHBondContact OD2-N 3.06Å; D995-S1066 PolarHBondContact OD2-OG 2.92Å; N999-S1066 PolarHBondContact ND2-O 3.24Å; F1064-S1066 PolarHBondContact O-N 3.08Å; F1064-S1066 VanDerWaalsContact O-N 3.16Å; S1066-Q1068 PolarHBondContact O-N 3.17Å |
| 1067 | V | 79.7 | Confident | 61.9 | Low | 8 Ų | 8 | 95 Ų | 95 | 5% | 0.048 | 52% | 0.516 | C | S | . | . | trans | -76.6 | 116.9 | 178 | -179.1 | 0 | 0 | 0 | 0 | 110.9 | D995 I998 N999 I1002 I1032 Q1036 F1064 L1069 | D995-V1067 HydrophobicContact CB-CG2 3.83Å; I998-V1067 HydrophobicContact CB-CG2 4.25Å; I998-V1067 HydrophobicContact CG2-CG1 3.87Å; I998-V1067 HydrophobicContact CG2-CG2 3.97Å; N999-V1067 VanDerWaalsContact OD1-CA 3.23Å; N999-V1067 WeakPolarHBondContact OD1-CA 3.25Å; I1002-V1067 HydrophobicContact CD1-CG1 3.64Å; I1032-V1067 HydrophobicContact CG2-CG1 4.15Å; Q1036-V1067 PolarHBondContact NE2-O 3.16Å; Q1036-V1067 VanDerWaalsContact NE2-O 3.17Å; F1064-V1067 HydrophobicContact CB-CB 4.14Å; F1064-V1067 HydrophobicContact CB-CG2 3.78Å; F1064-V1067 HydrophobicContact CD1-CG2 3.96Å; F1064-V1067 HydrophobicContact CG-CG2 4.35Å; F1064-V1067 WeakPolarHBondContact O-CB 3.19Å; F1064-V1067 PolarHBondContact O-N 3.32Å; V1067-L1069 HydrophobicContact CG1-CD2 3.92Å; V1067-L1069 HydrophobicContact CG1-CG 4.47Å; V1067-L1069 PolarHBondContact O-N 3.15Å | ||
| 1068 | Q | 78.5 | Confident | 64.5 | Low | 136 Ų | 136 | 87.5 Ų | 87.5 | 64% | 0.636 | 49% | 0.486 | S | S | * | . | trans | -83.7 | 97.9 | -177.9 | -62.6 | -177.4 | 1.2 | 0 | 0 | 110.4 | N999 R1006 S1066 | N999-Q1068 PolarHBondContact OD1-N 3Å; R1006-Q1068 PolarHBondContact NH2-O 3.04Å; S1066-Q1068 PolarHBondContact O-N 3.17Å | ||
| 1069 | L | 77.1 | Confident | 66.8 | Low | 15 Ų | 15 | 86.6 Ų | 86.6 | 8% | 0.079 | 47% | 0.47 | C | S | . | . | trans | -85 | -6.7 | -178.2 | -62.1 | 179 | 0 | 0 | 0 | 114.5 | I1002 R1006 L1029 I1032 R1033 V1067 | I1002-L1069 HydrophobicContact CD1-CD2 4.49Å; R1006-L1069 PolarHBondContact NH2-O 3.19Å; L1029-L1069 HydrophobicContact CB-CD2 4.4Å; L1029-L1069 HydrophobicContact CD2-CD2 3.69Å; I1032-L1069 HydrophobicContact CB-CD2 4.02Å; I1032-L1069 HydrophobicContact CD1-CD2 4.42Å; I1032-L1069 HydrophobicContact CG2-CD1 4.41Å; I1032-L1069 HydrophobicContact CG2-CD2 3.86Å; R1033-L1069 HydrophobicContact CB-CD1 3.6Å; R1033-L1069 HydrophobicContact CG-CD1 4.24Å; V1067-L1069 HydrophobicContact CG1-CD2 3.92Å; V1067-L1069 HydrophobicContact CG1-CG 4.47Å; V1067-L1069 PolarHBondContact O-N 3.15Å | ||
| 1070 | Y | 66.7 | Low | 69.7 | Low | 231 Ų | 231 | 79.8 Ų | 79.8 | 91% | 0.906 | 44% | 0.436 | S | S | * | . | trans | -103.1 | 0 | -178.8 | -67.2 | -79.6 | 0 | 0 | 0 | 112.9 | R1006 R1033 | R1006-Y1070 VanDerWaalsContact CZ-O 3.23Å; R1006-Y1070 PolarHBondContact NH1-O 2.84Å; R1006-Y1070 PolarHBondContact NH2-O 3.28Å; R1033-Y1070 VanDerWaalsContact NH2-CE1 3.33Å; R1033-Y1070 PolarHBondContact NH2-OH 2.99Å |
Retrieved 1,070 of 1,070 residues in 2933.5 ms
(Link to these results)