| 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 | 34.9 | Very low | 67.6 | Low | 155 Ų | 155 | 71.5 Ų | 71.5 | 76% | 0.764 | 41% | 0.414 | S | S | * | . | 0 | -57.9 | 0 | -64.6 | -118.9 | 98.7 | 0 | 0 | 110.5 | S3 N4 E5 M54 | M1-S3 VanDerWaalsContact C-N 3.31Å; M1-S3 PolarHBondContact O-N 2.6Å; M1-N4 PolarHBondContact O-N 3.32Å; M1-E5 PolarHBondContact O-N 3.33Å; M1-E5 VanDerWaalsContact O-N 3.15Å; M1-M54 HydrophobicContact CE-CE 4.48Å; M1-M54 HydrophobicContact CE-SD 4.38Å | |||
| 2 | A | 47.8 | Very low | 68.8 | Low | 80 Ų | 80 | 68.3 Ų | 68.3 | 66% | 0.661 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -54.5 | -37.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | N4 A6 | A2-N4 VanDerWaalsContact C-N 3.31Å; A2-N4 PolarHBondContact O-N 2.92Å; A2-A6 PolarHBondContact O-N 3.13Å |
| 3 | S | 63.2 | Low | 69.9 | Low | 85 Ų | 85 | 72.5 Ų | 72.5 | 59% | 0.594 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -63 | -36.1 | 174.4 | 56.6 | 0 | 0 | 0 | 0 | 113.2 | M1 S7 | M1-S3 VanDerWaalsContact C-N 3.31Å; M1-S3 PolarHBondContact O-N 2.6Å; S3-S7 PolarHBondContact O-N 3.32Å; S3-S7 PolarHBondContact O-OG 2.97Å |
| 4 | N | 62.4 | Low | 71 | Confident | 39 Ų | 39 | 70.7 Ų | 70.7 | 21% | 0.209 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -77 | -38.1 | -177.1 | -66 | 4.9 | 0 | 0 | 0 | 110.3 | M1 A2 S7 I8 M54 | M1-N4 PolarHBondContact O-N 3.32Å; A2-N4 VanDerWaalsContact C-N 3.31Å; A2-N4 PolarHBondContact O-N 2.92Å; N4-S7 WeakPolarHBondContact CA-OG 3.38Å; N4-S7 PolarHBondContact O-N 2.91Å; N4-S7 PolarHBondContact O-OG 2.88Å; N4-I8 WeakPolarHBondContact O-CD1 3.24Å; N4-I8 VanDerWaalsContact O-CG1 3.23Å; N4-I8 WeakPolarHBondContact O-CG1 3.41Å; N4-I8 PolarHBondContact O-N 3.28Å; N4-M54 HydrophobicContact CB-CE 4.24Å; N4-M54 HydrophobicContact CB-SD 3.98Å |
| 5 | E | 67.3 | Low | 71.8 | Confident | 109 Ų | 109 | 66.5 Ų | 66.5 | 51% | 0.509 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -60.5 | -47.7 | 175.6 | -69.6 | 174.7 | 175.5 | 0 | 0 | 111.7 | M1 S7 I8 E9 M54 | M1-E5 PolarHBondContact O-N 3.33Å; M1-E5 VanDerWaalsContact O-N 3.15Å; E5-S7 VanDerWaalsContact C-N 3.34Å; E5-S7 PolarHBondContact O-N 3.19Å; E5-I8 PolarHBondContact O-N 3.15Å; E5-E9 PolarHBondContact O-N 2.77Å; E5-M54 HydrophobicContact CG-CE 3.44Å; E5-M54 VanDerWaalsContact CG-CE 3.44Å |
| 6 | A | 71.7 | Confident | 72.4 | Confident | 50 Ų | 50 | 65.8 Ų | 65.8 | 41% | 0.413 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -58.8 | -45.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | A2 I8 E9 D10 | A2-A6 PolarHBondContact O-N 3.13Å; A6-I8 VanDerWaalsContact C-N 3.3Å; A6-I8 PolarHBondContact O-N 3.07Å; A6-E9 PolarHBondContact O-N 3.11Å; A6-D10 PolarHBondContact O-N 3.46Å |
| 7 | S | 78.3 | Confident | 73.1 | Confident | 32 Ų | 32 | 65.7 Ų | 65.7 | 22% | 0.224 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -65.5 | -30.9 | 178.3 | 67.5 | 0 | 0 | 0 | 0 | 113.8 | S3 N4 E5 L11 Y51 | S3-S7 PolarHBondContact O-N 3.32Å; S3-S7 PolarHBondContact O-OG 2.97Å; N4-S7 WeakPolarHBondContact CA-OG 3.38Å; N4-S7 PolarHBondContact O-N 2.91Å; N4-S7 PolarHBondContact O-OG 2.88Å; E5-S7 VanDerWaalsContact C-N 3.34Å; E5-S7 PolarHBondContact O-N 3.19Å; S7-L11 WeakPolarHBondContact O-CB 3.24Å; S7-L11 PolarHBondContact O-N 3.34Å; S7-Y51 WeakPolarHBondContact CB-OH 3.46Å; S7-Y51 WeakPolarHBondContact OG-CE1 3.39Å; S7-Y51 PolarHBondContact OG-OH 2.67Å |
| 8 | I | 76 | Confident | 73.7 | Confident | 18 Ų | 18 | 65 Ų | 65 | 9% | 0.092 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -69.7 | -44.1 | 174.7 | -69.4 | 161.3 | 0 | 0 | 0 | 109.8 | N4 E5 A6 D10 L11 T12 Y51 M54 | N4-I8 WeakPolarHBondContact O-CD1 3.24Å; N4-I8 VanDerWaalsContact O-CG1 3.23Å; N4-I8 WeakPolarHBondContact O-CG1 3.41Å; N4-I8 PolarHBondContact O-N 3.28Å; E5-I8 PolarHBondContact O-N 3.15Å; A6-I8 VanDerWaalsContact C-N 3.3Å; A6-I8 PolarHBondContact O-N 3.07Å; I8-D10 VanDerWaalsContact C-N 3.29Å; I8-D10 PolarHBondContact O-N 3.37Å; I8-L11 PolarHBondContact O-N 3.26Å; I8-T12 HydrophobicContact CG2-CG2 4.3Å; I8-T12 VanDerWaalsContact O-CG2 3.31Å; I8-T12 WeakPolarHBondContact O-CG2 3.12Å; I8-T12 PolarHBondContact O-N 2.83Å; I8-T12 PolarHBondContact O-OG1 3.44Å; I8-Y51 HydrophobicContact CD1-CD1 3.86Å; I8-Y51 HydrophobicContact CG1-CD1 3.34Å; I8-Y51 HydrophobicContact CG1-CE1 3.81Å; I8-Y51 HydrophobicContact CG1-CG 4.07Å; I8-M54 HydrophobicContact CD1-CB 3.44Å; I8-M54 VanDerWaalsContact CD1-CB 3.44Å; I8-M54 HydrophobicContact CD1-CE 4Å; I8-M54 HydrophobicContact CD1-CG 4.19Å; I8-M54 HydrophobicContact CD1-SD 3.8Å |
| 9 | E | 79.1 | Confident | 74 | Confident | 114 Ų | 114 | 66.6 Ų | 66.6 | 53% | 0.533 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -59.2 | -43 | 175.9 | -75.3 | -171.8 | -177.3 | 0 | 0 | 111.4 | E5 A6 T12 K13 | E5-E9 PolarHBondContact O-N 2.77Å; A6-E9 PolarHBondContact O-N 3.11Å; E9-T12 WeakPolarHBondContact CA-OG1 3.3Å; E9-T12 PolarHBondContact O-N 3.34Å; E9-T12 PolarHBondContact O-OG1 3.39Å; E9-K13 WeakPolarHBondContact O-CG 3.34Å; E9-K13 PolarHBondContact O-N 2.9Å |
| 10 | D | 81 | Confident | 74.4 | Confident | 89 Ų | 89 | 65.2 Ų | 65.2 | 48% | 0.476 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -64.8 | -43.6 | 177.6 | -68.4 | -21.6 | 0 | 0 | 0 | 111.9 | A6 I8 T12 K13 L14 | A6-D10 PolarHBondContact O-N 3.46Å; I8-D10 VanDerWaalsContact C-N 3.29Å; I8-D10 PolarHBondContact O-N 3.37Å; D10-T12 VanDerWaalsContact C-N 3.35Å; D10-T12 PolarHBondContact O-N 3.19Å; D10-K13 PolarHBondContact O-N 3.36Å; D10-L14 WeakPolarHBondContact O-CG 3.14Å; D10-L14 PolarHBondContact O-N 3.36Å |
| 11 | L | 82 | Confident | 74.6 | Confident | 16 Ų | 16 | 67.8 Ų | 67.8 | 8% | 0.084 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -61.2 | -42 | 174 | -172.6 | 81.5 | 0 | 0 | 0 | 111.6 | S7 I8 K13 L14 L15 L35 Y51 V60 Y63 | S7-L11 WeakPolarHBondContact O-CB 3.24Å; S7-L11 PolarHBondContact O-N 3.34Å; I8-L11 PolarHBondContact O-N 3.26Å; L11-K13 VanDerWaalsContact C-N 3.32Å; L11-K13 PolarHBondContact O-N 3.06Å; L11-L14 PolarHBondContact O-N 3.43Å; L11-L15 HydrophobicContact CD2-CD1 4.39Å; L11-L15 HydrophobicContact CG-CD1 4.05Å; L11-L15 WeakPolarHBondContact O-CG 3.5Å; L11-L15 PolarHBondContact O-N 2.92Å; L11-L35 HydrophobicContact CD1-CD2 4Å; L11-Y51 HydrophobicContact CD2-CD2 4.35Å; L11-V60 HydrophobicContact CD2-CB 4.26Å; L11-V60 HydrophobicContact CD2-CG1 3.65Å; L11-V60 HydrophobicContact CD2-CG2 3.95Å; L11-V60 HydrophobicContact CG-CG2 4.38Å; L11-Y63 HydrophobicContact CD1-CD1 4.1Å; L11-Y63 HydrophobicContact CD1-CE1 3.92Å; L11-Y63 HydrophobicContact CD2-CD1 4.3Å |
| 12 | T | 81.9 | Confident | 76.8 | Confident | 32 Ų | 32 | 65.4 Ų | 65.4 | 20% | 0.196 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -63.2 | -38.6 | 177.3 | 58.2 | 0 | 0 | 0 | 0 | 112 | I8 E9 D10 A16 N57 V60 | I8-T12 HydrophobicContact CG2-CG2 4.3Å; I8-T12 VanDerWaalsContact O-CG2 3.31Å; I8-T12 WeakPolarHBondContact O-CG2 3.12Å; I8-T12 PolarHBondContact O-N 2.83Å; I8-T12 PolarHBondContact O-OG1 3.44Å; E9-T12 WeakPolarHBondContact CA-OG1 3.3Å; E9-T12 PolarHBondContact O-N 3.34Å; E9-T12 PolarHBondContact O-OG1 3.39Å; D10-T12 VanDerWaalsContact C-N 3.35Å; D10-T12 PolarHBondContact O-N 3.19Å; T12-A16 VanDerWaalsContact O-CB 3.22Å; T12-A16 WeakPolarHBondContact O-CB 3.44Å; T12-A16 PolarHBondContact O-N 3.22Å; T12-N57 HydrophobicContact CG2-CB 4.14Å; T12-V60 HydrophobicContact CG2-CG2 3.43Å; T12-V60 VanDerWaalsContact CG2-CG2 3.43Å |
| 13 | K | 83.6 | Confident | 78.4 | Confident | 123 Ų | 123 | 62.4 Ų | 62.4 | 54% | 0.535 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -66.1 | -45.4 | 176.3 | -72.1 | 169.4 | -170.6 | 159.9 | 0 | 111 | E9 D10 L11 L15 A16 E17 | E9-K13 WeakPolarHBondContact O-CG 3.34Å; E9-K13 PolarHBondContact O-N 2.9Å; D10-K13 PolarHBondContact O-N 3.36Å; L11-K13 VanDerWaalsContact C-N 3.32Å; L11-K13 PolarHBondContact O-N 3.06Å; K13-L15 PolarHBondContact O-N 3.13Å; K13-A16 PolarHBondContact O-N 3.46Å; K13-E17 VanDerWaalsContact O-CB 3.32Å; K13-E17 WeakPolarHBondContact O-CB 3.44Å; K13-E17 PolarHBondContact O-N 2.81Å |
| 14 | L | 84.6 | Confident | 79.4 | Confident | 48 Ų | 48 | 61.3 Ų | 61.3 | 25% | 0.251 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -62.1 | -43.4 | 178 | -74.4 | 172.4 | 0 | 0 | 0 | 112.4 | D10 L11 E17 F18 I31 | D10-L14 WeakPolarHBondContact O-CG 3.14Å; D10-L14 PolarHBondContact O-N 3.36Å; L11-L14 PolarHBondContact O-N 3.43Å; L14-E17 PolarHBondContact O-N 2.76Å; L14-F18 WeakPolarHBondContact O-CB 3.49Å; L14-F18 PolarHBondContact O-N 3.28Å; L14-I31 HydrophobicContact CB-CG2 4.44Å; L14-I31 HydrophobicContact CD2-CG1 4.31Å |
| 15 | L | 82.9 | Confident | 80.3 | Confident | 7 Ų | 7 | 63.6 Ų | 63.6 | 4% | 0.037 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -70.5 | -37.6 | 177.9 | -70 | 171.9 | 0 | 0 | 0 | 112 | L11 K13 F18 H19 L35 V60 | L11-L15 HydrophobicContact CD2-CD1 4.39Å; L11-L15 HydrophobicContact CG-CD1 4.05Å; L11-L15 WeakPolarHBondContact O-CG 3.5Å; L11-L15 PolarHBondContact O-N 2.92Å; K13-L15 PolarHBondContact O-N 3.13Å; L15-F18 PolarHBondContact O-N 3.45Å; L15-H19 PolarHBondContact O-CD2 2.86Å; L15-H19 PolarHBondContact O-N 2.93Å; L15-H19 VanDerWaalsContact O-N 3.08Å; L15-L35 HydrophobicContact CD2-CD1 3.84Å; L15-L35 HydrophobicContact CD2-CD2 4.39Å; L15-V60 HydrophobicContact CD1-CB 4.38Å; L15-V60 HydrophobicContact CD1-CG2 3.85Å |
| 16 | A | 82.3 | Confident | 81.1 | Confident | 55 Ų | 55 | 62.5 Ų | 62.5 | 46% | 0.455 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -63.6 | -41.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | T12 K13 H19 S20 | T12-A16 VanDerWaalsContact O-CB 3.22Å; T12-A16 WeakPolarHBondContact O-CB 3.44Å; T12-A16 PolarHBondContact O-N 3.22Å; K13-A16 PolarHBondContact O-N 3.46Å; A16-H19 PolarHBondContact O-N 3.25Å; A16-S20 PolarHBondContact O-N 3.49Å |
| 17 | E | 83.5 | Confident | 81.7 | Confident | 65 Ų | 65 | 63.9 Ų | 63.9 | 30% | 0.304 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -65.3 | -38.2 | 173.8 | -170.7 | -174.7 | 165.5 | 0 | 0 | 111.3 | K13 L14 H19 S20 T23 R27 I31 | K13-E17 VanDerWaalsContact O-CB 3.32Å; K13-E17 WeakPolarHBondContact O-CB 3.44Å; K13-E17 PolarHBondContact O-N 2.81Å; L14-E17 PolarHBondContact O-N 2.76Å; E17-H19 PolarHBondContact O-N 3.37Å; E17-S20 PolarHBondContact O-N 3.33Å; E17-S20 PolarHBondContact O-OG 3.48Å; E17-S20 VanDerWaalsContact O-OG 3.07Å; E17-T23 HydrophobicContact CG-CG2 4.21Å; E17-T23 WeakPolarHBondContact O-CB 3.07Å; E17-T23 WeakPolarHBondContact O-CG2 3.46Å; E17-T23 PolarHBondContact O-OG1 3.05Å; E17-R27 WeakPolarHBondContact OE1-CG 3.34Å; E17-R27 IonicContact OE1-CZ 3.29Å; E17-R27 IonicContact OE1-NE 3.93Å; E17-R27 PolarHBondContact OE1-NE 3.44Å; E17-R27 IonicContact OE1-NH2 3.09Å; E17-R27 PolarHBondContact OE1-NH2 3.34Å; E17-R27 IonicContact OE2-NH2 3.42Å; E17-I31 HydrophobicContact CB-CD1 4.15Å; E17-I31 HydrophobicContact CG-CD1 3.85Å |
| 18 | F | 84.1 | Confident | 82 | Confident | 53 Ų | 53 | 66.6 Ų | 66.6 | 23% | 0.232 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -62.5 | -44.3 | 177.4 | -176 | -100.1 | 0 | 0 | 0 | 112.1 | L14 L15 R28 I31 Q32 | L14-F18 WeakPolarHBondContact O-CB 3.49Å; L14-F18 PolarHBondContact O-N 3.28Å; L15-F18 PolarHBondContact O-N 3.45Å; F18-R28 HydrophobicContact CD2-CB 4.3Å; F18-R28 HydrophobicContact CD2-CG 4.41Å; F18-R28 HydrophobicContact CE2-CB 4.17Å; F18-R28 PolarHBondContact O-NE 3.27Å; F18-I31 HydrophobicContact CB-CG2 4.11Å; F18-I31 HydrophobicContact CD2-CB 4.26Å; F18-I31 HydrophobicContact CD2-CG2 4.05Å; F18-I31 HydrophobicContact CG-CG2 4.47Å; F18-Q32 HydrophobicContact CE2-CB 4.22Å |
| 19 | H | 80.3 | Confident | 82.4 | Confident | 95 Ų | 95 | 71.4 Ų | 71.4 | 44% | 0.44 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -84.7 | -8.5 | -177.9 | -69.5 | -67.3 | 0 | 0 | 0 | 114.6 | L15 A16 E17 Y59 | L15-H19 PolarHBondContact O-CD2 2.86Å; L15-H19 PolarHBondContact O-N 2.93Å; L15-H19 VanDerWaalsContact O-N 3.08Å; A16-H19 PolarHBondContact O-N 3.25Å; E17-H19 PolarHBondContact O-N 3.37Å; H19-Y59 HydrophobicContact CB-CE1 4.38Å; H19-Y59 AromaticContact CD2-CD1 3.29Å; H19-Y59 WeakPolarHBondContact CD2-CD1 3.34Å; H19-Y59 AromaticContact CD2-CE1 3.44Å; H19-Y59 VanDerWaalsContact CD2-CE1 3.44Å; H19-Y59 WeakPolarHBondContact CD2-CE1 3.49Å; H19-Y59 AromaticContact CD2-CG 3.94Å; H19-Y59 AromaticContact CG-CE1 3.76Å; H19-Y59 AromaticContact NE2-CD1 3.37Å; H19-Y59 WeakPolarHBondContact NE2-CD1 3.43Å; H19-Y59 AromaticContact NE2-CE1 3.69Å |
| 20 | S | 82 | Confident | 82.7 | Confident | 39 Ų | 39 | 70.6 Ų | 70.6 | 27% | 0.273 | 39% | 0.389 | S | S | . | . | trans | -70.7 | 137.4 | 178 | 59.4 | 0 | 0 | 0 | 0 | 112.5 | A16 E17 S22 T23 R28 | A16-S20 PolarHBondContact O-N 3.49Å; E17-S20 PolarHBondContact O-N 3.33Å; E17-S20 PolarHBondContact O-OG 3.48Å; E17-S20 VanDerWaalsContact O-OG 3.07Å; S20-S22 PolarHBondContact O-N 3.48Å; S20-T23 PolarHBondContact O-N 3.37Å; S20-T23 PolarHBondContact O-OG1 3.23Å; S20-T23 VanDerWaalsContact O-OG1 3.11Å; S20-T23 PolarHBondContact OG-OG1 2.97Å; S20-R28 PolarHBondContact O-NH2 2.97Å | ||
| 21 | S | 77.9 | Confident | 82.9 | Confident | 119 Ų | 119 | 66.4 Ų | 66.4 | 83% | 0.832 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -24.9 | -179.8 | 52.2 | 0 | 0 | 0 | 0 | 113.1 | T23 | S21-T23 PolarHBondContact O-N 3.41Š|
| 22 | S | 80.1 | Confident | 83.2 | Confident | 106 Ų | 106 | 70.7 Ų | 70.7 | 74% | 0.741 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.1 | -9.6 | -178.9 | 52 | 0 | 0 | 0 | 0 | 115.3 | S20 | S20-S22 PolarHBondContact O-N 3.48Š|
| 23 | T | 82.5 | Confident | 83.3 | Confident | 16 Ų | 16 | 74 Ų | 74 | 10% | 0.098 | 40% | 0.401 | C | S | . | . | trans | -78.3 | 130.9 | -173.1 | -42.1 | 0 | 0 | 0 | 0 | 111.5 | E17 S20 S21 R27 R28 | E17-T23 HydrophobicContact CG-CG2 4.21Å; E17-T23 WeakPolarHBondContact O-CB 3.07Å; E17-T23 WeakPolarHBondContact O-CG2 3.46Å; E17-T23 PolarHBondContact O-OG1 3.05Å; S20-T23 PolarHBondContact O-N 3.37Å; S20-T23 PolarHBondContact O-OG1 3.23Å; S20-T23 VanDerWaalsContact O-OG1 3.11Å; S20-T23 PolarHBondContact OG-OG1 2.97Å; S21-T23 PolarHBondContact O-N 3.41Å; T23-R27 HydrophobicContact CG2-CB 3.95Å; T23-R27 HydrophobicContact CG2-CG 3.76Å; T23-R28 HydrophobicContact CG2-CG 3.84Å | ||
| 24 | S | 83.3 | Confident | 83.4 | Confident | 63 Ų | 63 | 72.6 Ų | 72.6 | 44% | 0.441 | 40% | 0.4 | S | S | . | . | trans | -64.6 | 150.6 | 177.5 | 64.2 | 0 | 0 | 0 | 0 | 111.6 | T26 R27 R28 | S24-T26 VanDerWaalsContact C-N 3.3Å; S24-T26 PolarHBondContact O-N 3.44Å; S24-T26 PolarHBondContact OG-OG1 3.46Å; S24-R27 PolarHBondContact O-N 3.4Å; S24-R27 VanDerWaalsContact O-N 3.15Å; S24-R27 WeakPolarHBondContact OG-CB 3.31Å; S24-R27 PolarHBondContact OG-N 3.5Å; S24-R28 PolarHBondContact O-N 2.88Å | ||
| 25 | S | 81.9 | Confident | 83.5 | Confident | 87 Ų | 87 | 71.2 Ų | 71.2 | 61% | 0.608 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -58.6 | -40.9 | 179.5 | 53 | 0 | 0 | 0 | 0 | 112.6 | R28 Q29 | S25-R28 PolarHBondContact O-N 3.31Å; S25-Q29 WeakPolarHBondContact O-CG 3.47Å; S25-Q29 PolarHBondContact O-N 3.4Å; S25-Q29 VanDerWaalsContact O-N 3.09Å |
| 26 | T | 83.7 | Confident | 83.6 | Confident | 85 Ų | 85 | 73.5 Ų | 73.5 | 52% | 0.521 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -61 | -44.2 | 175.6 | 53.5 | 0 | 0 | 0 | 0 | 111.5 | S24 Q29 E30 | S24-T26 VanDerWaalsContact C-N 3.3Å; S24-T26 PolarHBondContact O-N 3.44Å; S24-T26 PolarHBondContact OG-OG1 3.46Å; T26-Q29 WeakPolarHBondContact O-CB 3.49Å; T26-Q29 PolarHBondContact O-N 2.97Å; T26-E30 PolarHBondContact O-N 3.42Å; T26-E30 VanDerWaalsContact O-N 3.07Å |
| 27 | R | 85.7 | Confident | 83.7 | Confident | 80 Ų | 80 | 75.4 Ų | 75.4 | 30% | 0.302 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -67.2 | -38.1 | 178.9 | -177.2 | 58.6 | 177.5 | 164.3 | 5.4 | 112.3 | E17 T23 S24 Q29 E30 I31 | E17-R27 WeakPolarHBondContact OE1-CG 3.34Å; E17-R27 IonicContact OE1-CZ 3.29Å; E17-R27 IonicContact OE1-NE 3.93Å; E17-R27 PolarHBondContact OE1-NE 3.44Å; E17-R27 IonicContact OE1-NH2 3.09Å; E17-R27 PolarHBondContact OE1-NH2 3.34Å; E17-R27 IonicContact OE2-NH2 3.42Å; T23-R27 HydrophobicContact CG2-CB 3.95Å; T23-R27 HydrophobicContact CG2-CG 3.76Å; S24-R27 PolarHBondContact O-N 3.4Å; S24-R27 VanDerWaalsContact O-N 3.15Å; S24-R27 WeakPolarHBondContact OG-CB 3.31Å; S24-R27 PolarHBondContact OG-N 3.5Å; R27-Q29 VanDerWaalsContact C-N 3.31Å; R27-Q29 PolarHBondContact O-N 3.02Å; R27-E30 WeakPolarHBondContact CD-OE2 3.22Å; R27-E30 IonicContact CZ-OE2 3.84Å; R27-E30 IonicContact NH1-OE2 2.82Å; R27-E30 PolarHBondContact NH1-OE2 2.87Å; R27-E30 PolarHBondContact O-N 2.9Å; R27-I31 HydrophobicContact CG-CD1 4.19Å; R27-I31 WeakPolarHBondContact O-CG1 3.4Å; R27-I31 PolarHBondContact O-N 3.15Å |
| 28 | R | 84.7 | Confident | 83.7 | Confident | 88 Ų | 88 | 75 Ų | 75 | 33% | 0.332 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -61.4 | -39.2 | 172.9 | -72.9 | -172.6 | -174.9 | 143 | 9.5 | 112.1 | F18 S20 T23 S24 S25 I31 Q32 | F18-R28 HydrophobicContact CD2-CB 4.3Å; F18-R28 HydrophobicContact CD2-CG 4.41Å; F18-R28 HydrophobicContact CE2-CB 4.17Å; F18-R28 PolarHBondContact O-NE 3.27Å; S20-R28 PolarHBondContact O-NH2 2.97Å; T23-R28 HydrophobicContact CG2-CG 3.84Å; S24-R28 PolarHBondContact O-N 2.88Å; S25-R28 PolarHBondContact O-N 3.31Å; R28-I31 PolarHBondContact O-N 3.4Å; R28-Q32 WeakPolarHBondContact O-CB 3.32Å; R28-Q32 PolarHBondContact O-N 3.12Å |
| 29 | Q | 84.2 | Confident | 83.7 | Confident | 119 Ų | 119 | 74.3 Ų | 74.3 | 56% | 0.556 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -64.7 | -42.8 | 175.6 | -73 | 176.7 | -13.2 | 0 | 0 | 112.2 | S25 T26 R27 I31 Q32 I33 | S25-Q29 WeakPolarHBondContact O-CG 3.47Å; S25-Q29 PolarHBondContact O-N 3.4Å; S25-Q29 VanDerWaalsContact O-N 3.09Å; T26-Q29 WeakPolarHBondContact O-CB 3.49Å; T26-Q29 PolarHBondContact O-N 2.97Å; R27-Q29 VanDerWaalsContact C-N 3.31Å; R27-Q29 PolarHBondContact O-N 3.02Å; Q29-I31 PolarHBondContact O-N 2.79Å; Q29-Q32 PolarHBondContact O-N 3.25Å; Q29-I33 VanDerWaalsContact O-CG1 3.31Å; Q29-I33 WeakPolarHBondContact O-CG1 3.35Å; Q29-I33 PolarHBondContact O-N 2.84Å |
| 30 | E | 85.8 | Confident | 83.7 | Confident | 98 Ų | 98 | 74.9 Ų | 74.9 | 46% | 0.458 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -59.1 | -47.4 | 175.4 | -70.5 | 173.1 | -175.8 | 0 | 0 | 112 | T26 R27 Q32 I33 L34 | T26-E30 PolarHBondContact O-N 3.42Å; T26-E30 VanDerWaalsContact O-N 3.07Å; R27-E30 WeakPolarHBondContact CD-OE2 3.22Å; R27-E30 IonicContact CZ-OE2 3.84Å; R27-E30 IonicContact NH1-OE2 2.82Å; R27-E30 PolarHBondContact NH1-OE2 2.87Å; R27-E30 PolarHBondContact O-N 2.9Å; E30-Q32 VanDerWaalsContact C-N 3.31Å; E30-Q32 PolarHBondContact O-N 3.46Å; E30-I33 PolarHBondContact O-N 3.48Å; E30-L34 WeakPolarHBondContact O-CG 3.39Å; E30-L34 PolarHBondContact O-N 3.35Å |
| 31 | I | 84.6 | Confident | 83.6 | Confident | 0 Ų | 0 | 74.8 Ų | 74.8 | 0% | 0 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -62.5 | -42.1 | 177.7 | -64 | 167.7 | 0 | 0 | 0 | 110.1 | L14 E17 F18 R27 R28 Q29 I33 L34 L35 | L14-I31 HydrophobicContact CB-CG2 4.44Å; L14-I31 HydrophobicContact CD2-CG1 4.31Å; E17-I31 HydrophobicContact CB-CD1 4.15Å; E17-I31 HydrophobicContact CG-CD1 3.85Å; F18-I31 HydrophobicContact CB-CG2 4.11Å; F18-I31 HydrophobicContact CD2-CB 4.26Å; F18-I31 HydrophobicContact CD2-CG2 4.05Å; F18-I31 HydrophobicContact CG-CG2 4.47Å; R27-I31 HydrophobicContact CG-CD1 4.19Å; R27-I31 WeakPolarHBondContact O-CG1 3.4Å; R27-I31 PolarHBondContact O-N 3.15Å; R28-I31 PolarHBondContact O-N 3.4Å; Q29-I31 PolarHBondContact O-N 2.79Å; I31-I33 PolarHBondContact O-N 3.18Å; I31-L34 PolarHBondContact O-N 3.48Å; I31-L35 HydrophobicContact CG2-CD1 3.94Å; I31-L35 HydrophobicContact CG2-CG 4.31Å; I31-L35 WeakPolarHBondContact O-CG 3.27Å; I31-L35 PolarHBondContact O-N 2.93Å |
| 32 | Q | 87 | Confident | 83.5 | Confident | 106 Ų | 106 | 73.4 Ų | 73.4 | 50% | 0.495 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -61 | -44.2 | 177 | -174.3 | 175.1 | 3.4 | 0 | 0 | 112.1 | F18 R28 Q29 E30 L34 L35 V36 | F18-Q32 HydrophobicContact CE2-CB 4.22Å; R28-Q32 WeakPolarHBondContact O-CB 3.32Å; R28-Q32 PolarHBondContact O-N 3.12Å; Q29-Q32 PolarHBondContact O-N 3.25Å; E30-Q32 VanDerWaalsContact C-N 3.31Å; E30-Q32 PolarHBondContact O-N 3.46Å; Q32-L34 VanDerWaalsContact C-N 3.32Å; Q32-L34 PolarHBondContact O-N 3.31Å; Q32-L35 PolarHBondContact O-N 3.02Å; Q32-V36 HydrophobicContact CG-CG2 4.41Å; Q32-V36 WeakPolarHBondContact O-CB 3.27Å; Q32-V36 VanDerWaalsContact O-CG2 3.29Å; Q32-V36 WeakPolarHBondContact O-CG2 3.42Å; Q32-V36 PolarHBondContact O-N 2.81Å |
| 33 | I | 84.8 | Confident | 83.6 | Confident | 101 Ų | 101 | 73.4 Ų | 73.4 | 52% | 0.518 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -60.8 | -43.1 | 176.5 | -68.4 | 163 | 0 | 0 | 0 | 110.4 | Q29 E30 I31 L35 V36 N37 | Q29-I33 VanDerWaalsContact O-CG1 3.31Å; Q29-I33 WeakPolarHBondContact O-CG1 3.35Å; Q29-I33 PolarHBondContact O-N 2.84Å; E30-I33 PolarHBondContact O-N 3.48Å; I31-I33 PolarHBondContact O-N 3.18Å; I33-L35 PolarHBondContact O-N 3.03Å; I33-V36 PolarHBondContact O-N 3.48Å; I33-N37 VanDerWaalsContact O-CB 3.32Å; I33-N37 WeakPolarHBondContact O-CB 3.45Å; I33-N37 PolarHBondContact O-N 3.4Å; I33-N37 PolarHBondContact O-ND2 3.13Å; I33-N37 PolarHBondContact O-OD1 3.09Å |
| 34 | L | 86 | Confident | 83.8 | Confident | 95 Ų | 95 | 72.6 Ų | 72.6 | 50% | 0.497 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -61.6 | -43.8 | 176.7 | -72.5 | 171.9 | 0 | 0 | 0 | 112.2 | E30 I31 Q32 N37 F38 | E30-L34 WeakPolarHBondContact O-CG 3.39Å; E30-L34 PolarHBondContact O-N 3.35Å; I31-L34 PolarHBondContact O-N 3.48Å; Q32-L34 VanDerWaalsContact C-N 3.32Å; Q32-L34 PolarHBondContact O-N 3.31Å; L34-N37 PolarHBondContact O-N 3Å; L34-F38 PolarHBondContact O-N 3.36Å |
| 35 | L | 85.9 | Confident | 83.9 | Confident | 18 Ų | 18 | 70.3 Ų | 70.3 | 9% | 0.094 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -66.2 | -40.5 | 177.9 | -68.8 | 172.5 | 0 | 0 | 0 | 111.8 | L11 L15 I31 Q32 I33 F38 E39 Y63 | L11-L35 HydrophobicContact CD1-CD2 4Å; L15-L35 HydrophobicContact CD2-CD1 3.84Å; L15-L35 HydrophobicContact CD2-CD2 4.39Å; I31-L35 HydrophobicContact CG2-CD1 3.94Å; I31-L35 HydrophobicContact CG2-CG 4.31Å; I31-L35 WeakPolarHBondContact O-CG 3.27Å; I31-L35 PolarHBondContact O-N 2.93Å; Q32-L35 PolarHBondContact O-N 3.02Å; I33-L35 PolarHBondContact O-N 3.03Å; L35-F38 PolarHBondContact O-N 3.11Å; L35-E39 WeakPolarHBondContact O-CB 3.48Å; L35-E39 PolarHBondContact O-N 3.2Å; L35-Y63 WeakPolarHBondContact CA-OH 3.32Å; L35-Y63 HydrophobicContact CB-CE2 3.82Å; L35-Y63 HydrophobicContact CD2-CD2 4.46Å; L35-Y63 HydrophobicContact CD2-CE1 3.97Å; L35-Y63 HydrophobicContact CD2-CE2 3.91Å; L35-Y63 HydrophobicContact CG-CE2 4.29Å; L35-Y63 PolarHBondContact O-OH 3.44Å |
| 36 | V | 86 | Confident | 84.1 | Confident | 55 Ų | 55 | 71.3 Ų | 71.3 | 33% | 0.333 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -67.8 | -38.9 | 176.4 | 171 | 0 | 0 | 0 | 0 | 111 | Q32 I33 F38 E39 N40 | Q32-V36 HydrophobicContact CG-CG2 4.41Å; Q32-V36 WeakPolarHBondContact O-CB 3.27Å; Q32-V36 VanDerWaalsContact O-CG2 3.29Å; Q32-V36 WeakPolarHBondContact O-CG2 3.42Å; Q32-V36 PolarHBondContact O-N 2.81Å; I33-V36 PolarHBondContact O-N 3.48Å; V36-F38 VanDerWaalsContact C-N 3.33Å; V36-F38 PolarHBondContact O-N 3.08Å; V36-E39 PolarHBondContact O-N 3.2Å; V36-N40 WeakPolarHBondContact CG1-ND2 3.17Å; V36-N40 WeakPolarHBondContact O-CB 3.28Å; V36-N40 VanDerWaalsContact O-CG 3.26Å; V36-N40 PolarHBondContact O-N 3.1Å; V36-N40 PolarHBondContact O-ND2 2.69Å |
| 37 | N | 84.2 | Confident | 84.2 | Confident | 95 Ų | 95 | 70.6 Ų | 70.6 | 51% | 0.508 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -63.6 | -39.6 | 175.9 | -72.6 | -16.6 | 0 | 0 | 0 | 111.9 | I33 L34 S41 | I33-N37 VanDerWaalsContact O-CB 3.32Å; I33-N37 WeakPolarHBondContact O-CB 3.45Å; I33-N37 PolarHBondContact O-N 3.4Å; I33-N37 PolarHBondContact O-ND2 3.13Å; I33-N37 PolarHBondContact O-OD1 3.09Å; L34-N37 PolarHBondContact O-N 3Å; N37-S41 PolarHBondContact O-N 2.9Å |
| 38 | F | 82.9 | Confident | 84.2 | Confident | 56 Ų | 56 | 66.8 Ų | 66.8 | 25% | 0.246 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -63.9 | -46.1 | 173.1 | 177.8 | -95.6 | 0 | 0 | 0 | 111.2 | L34 L35 V36 N40 S41 A44 H47 Y51 Y63 | L34-F38 PolarHBondContact O-N 3.36Å; L35-F38 PolarHBondContact O-N 3.11Å; V36-F38 VanDerWaalsContact C-N 3.33Å; V36-F38 PolarHBondContact O-N 3.08Å; F38-N40 VanDerWaalsContact C-N 3.32Å; F38-N40 PolarHBondContact O-N 3.18Å; F38-S41 WeakPolarHBondContact O-CB 3.41Å; F38-S41 PolarHBondContact O-N 2.85Å; F38-S41 VanDerWaalsContact O-N 3.07Å; F38-S41 PolarHBondContact O-OG 3.39Å; F38-A44 HydrophobicContact CE1-CB 4.3Å; F38-A44 WeakPolarHBondContact O-CB 3.18Å; F38-H47 HydrophobicContact CE2-CB 4.38Å; F38-H47 HydrophobicContact CZ-CB 3.78Å; F38-Y51 AromaticContact CZ-CE2 3.87Å; F38-Y51 HydrophobicContact CZ-CE2 3.87Å; F38-Y63 HydrophobicContact CD1-CE1 4.05Å; F38-Y63 VanDerWaalsContact CD1-OH 3.3Å; F38-Y63 WeakPolarHBondContact CD1-OH 3.33Å; F38-Y63 HydrophobicContact CE1-CE1 4.34Å |
| 39 | E | 84.1 | Confident | 84.3 | Confident | 39 Ų | 39 | 63.4 Ų | 63.4 | 18% | 0.182 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -59.4 | -39.6 | 178.8 | 178.8 | 169 | -154 | 0 | 0 | 113 | L35 V36 S41 V67 T70 | L35-E39 WeakPolarHBondContact O-CB 3.48Å; L35-E39 PolarHBondContact O-N 3.2Å; V36-E39 PolarHBondContact O-N 3.2Å; E39-S41 PolarHBondContact O-N 2.7Å; E39-V67 HydrophobicContact CB-CG2 4.18Å; E39-V67 HydrophobicContact CG-CG2 4.18Å; E39-T70 WeakPolarHBondContact CG-OG1 3.47Å; E39-T70 WeakPolarHBondContact OE1-CB 3.22Å; E39-T70 WeakPolarHBondContact OE1-CG2 3.43Å; E39-T70 PolarHBondContact OE1-OG1 3.02Å |
| 40 | N | 79.7 | Confident | 84.3 | Confident | 108 Ų | 108 | 58.9 Ų | 58.9 | 58% | 0.578 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72 | -10.4 | 177.7 | -71.2 | -29 | 0 | 0 | 0 | 113.7 | V36 F38 | V36-N40 WeakPolarHBondContact CG1-ND2 3.17Å; V36-N40 WeakPolarHBondContact O-CB 3.28Å; V36-N40 VanDerWaalsContact O-CG 3.26Å; V36-N40 PolarHBondContact O-N 3.1Å; V36-N40 PolarHBondContact O-ND2 2.69Å; F38-N40 VanDerWaalsContact C-N 3.32Å; F38-N40 PolarHBondContact O-N 3.18Å |
| 41 | S | 80.7 | Confident | 84.3 | Confident | 37 Ų | 37 | 55 Ų | 55 | 26% | 0.259 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -70 | 135.8 | 178.9 | 74.1 | 0 | 0 | 0 | 0 | 110.7 | N37 F38 E39 N43 A44 | N37-S41 PolarHBondContact O-N 2.9Å; F38-S41 WeakPolarHBondContact O-CB 3.41Å; F38-S41 PolarHBondContact O-N 2.85Å; F38-S41 VanDerWaalsContact O-N 3.07Å; F38-S41 PolarHBondContact O-OG 3.39Å; E39-S41 PolarHBondContact O-N 2.7Å; S41-N43 PolarHBondContact O-N 2.8Å; S41-N43 VanDerWaalsContact O-N 3.1Å; S41-A44 WeakPolarHBondContact O-CB 3.34Å; S41-A44 PolarHBondContact O-N 3.1Å; S41-A44 WeakPolarHBondContact OG-CB 3.38Å; S41-A44 PolarHBondContact OG-N 3.09Å |
| 42 | P | 76.3 | Confident | 84.2 | Confident | 89 Ų | 89 | 55.4 Ų | 55.4 | 58% | 0.578 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -24.7 | -172.2 | 23.5 | -33.9 | 0 | 0 | 0 | 113.5 | W45 | P42-W45 VanDerWaalsContact O-CD1 3.26Å; P42-W45 PolarHBondContact O-NE1 3.48Å |
| 43 | N | 82.4 | Confident | 83.9 | Confident | 106 Ų | 106 | 54.3 Ų | 54.3 | 57% | 0.567 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.2 | 8.7 | 179 | -64.8 | -18.6 | 0 | 0 | 0 | 113 | S41 W45 Y46 H47 | S41-N43 PolarHBondContact O-N 2.8Å; S41-N43 VanDerWaalsContact O-N 3.1Å; N43-W45 PolarHBondContact O-N 3.44Å; N43-Y46 WeakPolarHBondContact O-CB 3.37Å; N43-Y46 PolarHBondContact O-N 3.18Å; N43-Y46 VanDerWaalsContact O-N 3.13Å; N43-H47 PolarHBondContact O-CD2 3.29Å |
| 44 | A | 85 | Confident | 83.7 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -55.8 | -40.6 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | F38 S41 Y46 H47 A48 V67 | F38-A44 HydrophobicContact CE1-CB 4.3Å; F38-A44 WeakPolarHBondContact O-CB 3.18Å; S41-A44 WeakPolarHBondContact O-CB 3.34Å; S41-A44 PolarHBondContact O-N 3.1Å; S41-A44 WeakPolarHBondContact OG-CB 3.38Å; S41-A44 PolarHBondContact OG-N 3.09Å; A44-Y46 VanDerWaalsContact C-N 3.27Å; A44-Y46 PolarHBondContact O-N 2.84Å; A44-H47 PolarHBondContact O-N 3Å; A44-A48 WeakPolarHBondContact O-CB 3.42Å; A44-A48 PolarHBondContact O-N 3.12Å; A44-V67 HydrophobicContact CB-CG1 3.54Å |
| 45 | W | 86.2 | Confident | 83.4 | Confident | 14 Ų | 14 | 48.6 Ų | 48.6 | 5% | 0.053 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -61.1 | -35.1 | -179.1 | 67.2 | -91.5 | 0 | 0 | 0 | 112.8 | P42 N43 A48 I49 T71 L79 D83 M87 | P42-W45 VanDerWaalsContact O-CD1 3.26Å; P42-W45 PolarHBondContact O-NE1 3.48Å; N43-W45 PolarHBondContact O-N 3.44Å; W45-A48 PolarHBondContact O-N 3Å; W45-I49 HydrophobicContact CE3-CD1 3.68Å; W45-I49 HydrophobicContact CZ3-CD1 3.85Å; W45-I49 WeakPolarHBondContact O-CG1 3.35Å; W45-I49 PolarHBondContact O-N 3.16Å; W45-T71 HydrophobicContact CB-CG2 3.89Å; W45-T71 HydrophobicContact CG-CG2 4.44Å; W45-L79 HydrophobicContact CZ2-CD2 4.47Å; W45-D83 HydrophobicContact CH2-CB 3.75Å; W45-D83 WeakPolarHBondContact CH2-OD1 3.47Å; W45-D83 HydrophobicContact CZ2-CB 3.89Å; W45-M87 HydrophobicContact CB-CE 3.62Å; W45-M87 HydrophobicContact CD2-CE 4.25Å; W45-M87 HydrophobicContact CE3-CE 3.99Å; W45-M87 HydrophobicContact CG-CE 4.14Å |
| 46 | Y | 86.3 | Confident | 82.9 | Confident | 109 Ų | 109 | 59 Ų | 59 | 43% | 0.427 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -67.2 | -44.4 | 178.8 | -178 | -99 | 0 | 0 | 0 | 110.7 | N43 A44 I49 C50 | N43-Y46 WeakPolarHBondContact O-CB 3.37Å; N43-Y46 PolarHBondContact O-N 3.18Å; N43-Y46 VanDerWaalsContact O-N 3.13Å; A44-Y46 VanDerWaalsContact C-N 3.27Å; A44-Y46 PolarHBondContact O-N 2.84Å; Y46-I49 PolarHBondContact O-N 3.11Å; Y46-C50 PolarHBondContact O-N 2.97Å; Y46-C50 VanDerWaalsContact O-N 3.16Å; Y46-C50 PolarHBondContact O-SG 3.39Å |
| 47 | H | 85.5 | Confident | 82.6 | Confident | 69 Ų | 69 | 59.1 Ų | 59.1 | 32% | 0.319 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -64.3 | -41.4 | 174 | -66.8 | -66.6 | 0 | 0 | 0 | 111.7 | F38 N43 A44 I49 C50 Y51 | F38-H47 HydrophobicContact CE2-CB 4.38Å; F38-H47 HydrophobicContact CZ-CB 3.78Å; N43-H47 PolarHBondContact O-CD2 3.29Å; A44-H47 PolarHBondContact O-N 3Å; H47-I49 VanDerWaalsContact C-N 3.35Å; H47-I49 PolarHBondContact O-N 3.3Å; H47-C50 WeakPolarHBondContact O-CB 3.46Å; H47-C50 PolarHBondContact O-N 3.37Å; H47-C50 VanDerWaalsContact O-N 3.14Å; H47-Y51 HydrophobicContact CB-CD2 4.5Å; H47-Y51 HydrophobicContact CB-CE2 3.95Å; H47-Y51 VanDerWaalsContact O-CD2 3.29Å; H47-Y51 WeakPolarHBondContact O-CD2 3.36Å; H47-Y51 PolarHBondContact O-N 3.34Å |
| 48 | A | 86.8 | Confident | 82.5 | Confident | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -58.8 | -42.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | A44 W45 Y51 L52 C64 V67 I68 | A44-A48 WeakPolarHBondContact O-CB 3.42Å; A44-A48 PolarHBondContact O-N 3.12Å; W45-A48 PolarHBondContact O-N 3Å; A48-Y51 PolarHBondContact O-N 3.05Å; A48-L52 WeakPolarHBondContact O-CB 3.41Å; A48-L52 VanDerWaalsContact O-CG 3.28Å; A48-L52 WeakPolarHBondContact O-CG 3.45Å; A48-L52 PolarHBondContact O-N 3.14Å; A48-C64 HydrophobicContact CB-CB 3.97Å; A48-V67 HydrophobicContact CB-CB 4.22Å; A48-V67 HydrophobicContact CB-CG1 4.16Å; A48-I68 HydrophobicContact CB-CG1 4.24Å |
| 49 | I | 86.7 | Confident | 82.5 | Confident | 17 Ų | 17 | 61.2 Ų | 61.2 | 9% | 0.087 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -60.2 | -46 | 173.8 | -73.1 | 175.5 | 0 | 0 | 0 | 111.1 | W45 Y46 H47 Y51 L52 S53 I68 F90 | W45-I49 HydrophobicContact CE3-CD1 3.68Å; W45-I49 HydrophobicContact CZ3-CD1 3.85Å; W45-I49 WeakPolarHBondContact O-CG1 3.35Å; W45-I49 PolarHBondContact O-N 3.16Å; Y46-I49 PolarHBondContact O-N 3.11Å; H47-I49 VanDerWaalsContact C-N 3.35Å; H47-I49 PolarHBondContact O-N 3.3Å; I49-Y51 PolarHBondContact O-N 3.48Å; I49-L52 PolarHBondContact O-N 3.21Å; I49-S53 PolarHBondContact O-N 3.42Å; I49-S53 VanDerWaalsContact O-N 3.13Å; I49-I68 HydrophobicContact CG1-CD1 4.13Å; I49-F90 HydrophobicContact CB-CD1 4.39Å; I49-F90 HydrophobicContact CB-CE1 4.39Å; I49-F90 HydrophobicContact CD1-CB 4.46Å; I49-F90 HydrophobicContact CD1-CD1 4.4Å; I49-F90 HydrophobicContact CD1-CG 4.44Å; I49-F90 HydrophobicContact CG1-CD1 3.84Å; I49-F90 HydrophobicContact CG1-CE1 4.13Å; I49-F90 HydrophobicContact CG1-CG 4.2Å; I49-F90 HydrophobicContact CG2-CB 4.46Å; I49-F90 HydrophobicContact CG2-CD1 4.07Å; I49-F90 HydrophobicContact CG2-CD2 3.58Å; I49-F90 HydrophobicContact CG2-CE1 4.2Å; I49-F90 HydrophobicContact CG2-CE2 3.72Å; I49-F90 HydrophobicContact CG2-CG 3.75Å; I49-F90 HydrophobicContact CG2-CZ 4.04Å; I49-F90 WeakPolarHBondContact O-CZ 3.26Å |
| 50 | C | 84.6 | Confident | 82.5 | Confident | 24 Ų | 24 | 59.3 Ų | 59.3 | 16% | 0.162 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -60.3 | -45.1 | 175.9 | -68.4 | 0 | 0 | 0 | 0 | 111.6 | Y46 H47 L52 S53 M54 | Y46-C50 PolarHBondContact O-N 2.97Å; Y46-C50 VanDerWaalsContact O-N 3.16Å; Y46-C50 PolarHBondContact O-SG 3.39Å; H47-C50 WeakPolarHBondContact O-CB 3.46Å; H47-C50 PolarHBondContact O-N 3.37Å; H47-C50 VanDerWaalsContact O-N 3.14Å; C50-L52 PolarHBondContact O-N 2.93Å; C50-S53 PolarHBondContact O-N 2.91Å; C50-S53 PolarHBondContact O-OG 3.21Å; C50-M54 WeakPolarHBondContact O-CG 3.31Å; C50-M54 PolarHBondContact O-N 3.47Å |
| 51 | Y | 84.2 | Confident | 82.7 | Confident | 18 Ų | 18 | 54.2 Ų | 54.2 | 7% | 0.071 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -64.3 | -39.7 | 179.5 | -61.5 | -25 | 0 | 0 | 0 | 112.6 | S7 I8 L11 F38 H47 A48 I49 S53 M54 S55 | S7-Y51 WeakPolarHBondContact CB-OH 3.46Å; S7-Y51 WeakPolarHBondContact OG-CE1 3.39Å; S7-Y51 PolarHBondContact OG-OH 2.67Å; I8-Y51 HydrophobicContact CD1-CD1 3.86Å; I8-Y51 HydrophobicContact CG1-CD1 3.34Å; I8-Y51 HydrophobicContact CG1-CE1 3.81Å; I8-Y51 HydrophobicContact CG1-CG 4.07Å; L11-Y51 HydrophobicContact CD2-CD2 4.35Å; F38-Y51 AromaticContact CZ-CE2 3.87Å; F38-Y51 HydrophobicContact CZ-CE2 3.87Å; H47-Y51 HydrophobicContact CB-CD2 4.5Å; H47-Y51 HydrophobicContact CB-CE2 3.95Å; H47-Y51 VanDerWaalsContact O-CD2 3.29Å; H47-Y51 WeakPolarHBondContact O-CD2 3.36Å; H47-Y51 PolarHBondContact O-N 3.34Å; A48-Y51 PolarHBondContact O-N 3.05Å; I49-Y51 PolarHBondContact O-N 3.48Å; Y51-S53 VanDerWaalsContact C-N 3.28Å; Y51-S53 PolarHBondContact O-N 3.02Å; Y51-M54 PolarHBondContact O-N 3.03Å; Y51-M54 VanDerWaalsContact O-N 3.17Å; Y51-S55 WeakPolarHBondContact O-CB 3.34Å; Y51-S55 PolarHBondContact O-N 3.17Å |
| 52 | L | 83.8 | Confident | 83 | Confident | 8 Ų | 8 | 55.7 Ų | 55.7 | 4% | 0.042 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -63.9 | -31.4 | 174.8 | -75.2 | 168.8 | 0 | 0 | 0 | 113 | A48 I49 C50 M54 V61 C64 L65 I68 F90 Y94 | A48-L52 WeakPolarHBondContact O-CB 3.41Å; A48-L52 VanDerWaalsContact O-CG 3.28Å; A48-L52 WeakPolarHBondContact O-CG 3.45Å; A48-L52 PolarHBondContact O-N 3.14Å; I49-L52 PolarHBondContact O-N 3.21Å; C50-L52 PolarHBondContact O-N 2.93Å; L52-M54 VanDerWaalsContact C-N 3.31Å; L52-V61 HydrophobicContact CD2-CB 4.04Å; L52-V61 HydrophobicContact CD2-CG1 3.65Å; L52-V61 HydrophobicContact CD2-CG2 4.14Å; L52-C64 HydrophobicContact CD1-CB 3.97Å; L52-C64 HydrophobicContact CD2-CB 3.86Å; L52-C64 HydrophobicContact CG-CB 3.6Å; L52-L65 HydrophobicContact CD1-CD2 4.03Å; L52-L65 HydrophobicContact CD1-CG 4.44Å; L52-L65 HydrophobicContact CD2-CD2 4.46Å; L52-L65 HydrophobicContact CD2-CG 4.22Å; L52-I68 HydrophobicContact CD1-CD1 3.51Å; L52-F90 HydrophobicContact CB-CE1 3.95Å; L52-F90 HydrophobicContact CB-CZ 3.6Å; L52-F90 HydrophobicContact CD1-CE1 3.81Å; L52-F90 HydrophobicContact CD1-CZ 4.34Å; L52-Y94 HydrophobicContact CB-CD2 4.48Å; L52-Y94 HydrophobicContact CB-CE2 4.15Å; L52-Y94 HydrophobicContact CD2-CE2 4.13Å |
| 53 | S | 80.6 | Confident | 83.4 | Confident | 83 Ų | 83 | 52.9 Ų | 52.9 | 58% | 0.58 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -74.8 | -20.1 | 176.2 | 73.8 | 0 | 0 | 0 | 0 | 113.9 | I49 C50 Y51 | I49-S53 PolarHBondContact O-N 3.42Å; I49-S53 VanDerWaalsContact O-N 3.13Å; C50-S53 PolarHBondContact O-N 2.91Å; C50-S53 PolarHBondContact O-OG 3.21Å; Y51-S53 VanDerWaalsContact C-N 3.28Å; Y51-S53 PolarHBondContact O-N 3.02Å |
| 54 | M | 80.2 | Confident | 83.7 | Confident | 62 Ų | 62 | 47.9 Ų | 47.9 | 31% | 0.305 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -110.8 | -31.3 | -171.2 | -65.9 | 177.4 | 74.4 | 0 | 0 | 113.3 | M1 N4 E5 I8 C50 Y51 L52 | M1-M54 HydrophobicContact CE-CE 4.48Å; M1-M54 HydrophobicContact CE-SD 4.38Å; N4-M54 HydrophobicContact CB-CE 4.24Å; N4-M54 HydrophobicContact CB-SD 3.98Å; E5-M54 HydrophobicContact CG-CE 3.44Å; E5-M54 VanDerWaalsContact CG-CE 3.44Å; I8-M54 HydrophobicContact CD1-CB 3.44Å; I8-M54 VanDerWaalsContact CD1-CB 3.44Å; I8-M54 HydrophobicContact CD1-CE 4Å; I8-M54 HydrophobicContact CD1-CG 4.19Å; I8-M54 HydrophobicContact CD1-SD 3.8Å; C50-M54 WeakPolarHBondContact O-CG 3.31Å; C50-M54 PolarHBondContact O-N 3.47Å; Y51-M54 PolarHBondContact O-N 3.03Å; Y51-M54 VanDerWaalsContact O-N 3.17Å; L52-M54 VanDerWaalsContact C-N 3.31Å |
| 55 | S | 79.8 | Confident | 83.9 | Confident | 13 Ų | 13 | 48 Ų | 48 | 9% | 0.091 | 22% | 0.222 | C | C | . | . | trans | -101.1 | 137.4 | -173.7 | -173.6 | 0 | 0 | 0 | 0 | 112.6 | Y51 N57 | Y51-S55 WeakPolarHBondContact O-CB 3.34Å; Y51-S55 PolarHBondContact O-N 3.17Å; S55-N57 PolarHBondContact OG-N 3.35Å | ||
| 56 | R | 74.3 | Confident | 84 | Confident | 238 Ų | 238 | 47.9 Ų | 47.9 | 90% | 0.898 | 23% | 0.226 | S | C | * | . | trans | -102.6 | 0.5 | 168.3 | -64.5 | -176.4 | -179.7 | 171.6 | 0.5 | 113.1 | Q58 | R56-Q58 PolarHBondContact O-N 3.46Š| ||
| 57 | N | 81.1 | Confident | 84.1 | Confident | 57 Ų | 57 | 42.7 Ų | 42.7 | 31% | 0.305 | 21% | 0.205 | S | C | . | . | trans | -71.4 | 120.8 | -179.1 | -176 | -34.9 | 0 | 0 | 0 | 109.9 | T12 S55 Y59 V60 V61 | T12-N57 HydrophobicContact CG2-CB 4.14Å; S55-N57 PolarHBondContact OG-N 3.35Å; N57-Y59 VanDerWaalsContact C-N 3.28Å; N57-Y59 PolarHBondContact O-N 3.25Å; N57-Y59 PolarHBondContact OD1-N 2.77Å; N57-V60 HydrophobicContact CB-CB 4.18Å; N57-V60 HydrophobicContact CB-CG2 4.05Å; N57-V60 PolarHBondContact O-N 3.13Å; N57-V60 VanDerWaalsContact O-N 3.12Å; N57-V61 WeakPolarHBondContact O-CG2 3.44Å; N57-V61 PolarHBondContact O-N 2.88Å | ||
| 58 | Q | 82 | Confident | 84.3 | Confident | 84 Ų | 84 | 39.4 Ų | 39.4 | 39% | 0.393 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -57.7 | -37.2 | -175.1 | -64.4 | 177.1 | 4.6 | 0 | 0 | 113.2 | R56 V61 L62 F105 L106 | R56-Q58 PolarHBondContact O-N 3.46Å; Q58-V61 PolarHBondContact O-N 3.44Å; Q58-L62 VanDerWaalsContact O-CB 3.32Å; Q58-L62 WeakPolarHBondContact O-CB 3.36Å; Q58-L62 PolarHBondContact O-N 2.88Å; Q58-F105 HydrophobicContact CB-CZ 4.4Å; Q58-L106 HydrophobicContact CG-CD1 4.46Å |
| 59 | Y | 82.9 | Confident | 84.4 | Confident | 110 Ų | 110 | 40.9 Ų | 40.9 | 43% | 0.431 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -67.2 | -44.5 | 178 | -64.1 | -68.8 | 0 | 0 | 0 | 111.4 | H19 N57 V61 L62 Y63 | H19-Y59 HydrophobicContact CB-CE1 4.38Å; H19-Y59 AromaticContact CD2-CD1 3.29Å; H19-Y59 WeakPolarHBondContact CD2-CD1 3.34Å; H19-Y59 AromaticContact CD2-CE1 3.44Å; H19-Y59 VanDerWaalsContact CD2-CE1 3.44Å; H19-Y59 WeakPolarHBondContact CD2-CE1 3.49Å; H19-Y59 AromaticContact CD2-CG 3.94Å; H19-Y59 AromaticContact CG-CE1 3.76Å; H19-Y59 AromaticContact NE2-CD1 3.37Å; H19-Y59 WeakPolarHBondContact NE2-CD1 3.43Å; H19-Y59 AromaticContact NE2-CE1 3.69Å; N57-Y59 VanDerWaalsContact C-N 3.28Å; N57-Y59 PolarHBondContact O-N 3.25Å; N57-Y59 PolarHBondContact OD1-N 2.77Å; Y59-V61 VanDerWaalsContact C-N 3.34Å; Y59-V61 PolarHBondContact O-N 3.29Å; Y59-L62 PolarHBondContact O-N 3.35Å; Y59-Y63 WeakPolarHBondContact O-CB 3.46Å; Y59-Y63 PolarHBondContact O-N 3.49Å |
| 60 | V | 84.6 | Confident | 84.4 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -61.8 | -45.9 | 176.4 | 170.5 | 0 | 0 | 0 | 0 | 110.4 | L11 T12 L15 N57 Y63 C64 | L11-V60 HydrophobicContact CD2-CB 4.26Å; L11-V60 HydrophobicContact CD2-CG1 3.65Å; L11-V60 HydrophobicContact CD2-CG2 3.95Å; L11-V60 HydrophobicContact CG-CG2 4.38Å; T12-V60 HydrophobicContact CG2-CG2 3.43Å; T12-V60 VanDerWaalsContact CG2-CG2 3.43Å; L15-V60 HydrophobicContact CD1-CB 4.38Å; L15-V60 HydrophobicContact CD1-CG2 3.85Å; N57-V60 HydrophobicContact CB-CB 4.18Å; N57-V60 HydrophobicContact CB-CG2 4.05Å; N57-V60 PolarHBondContact O-N 3.13Å; N57-V60 VanDerWaalsContact O-N 3.12Å; V60-Y63 PolarHBondContact O-N 3.11Å; V60-C64 WeakPolarHBondContact O-CB 3.39Å; V60-C64 PolarHBondContact O-N 3.46Å; V60-C64 PolarHBondContact O-SG 2.87Å |
| 61 | V | 83.9 | Confident | 84.5 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -60.6 | -48.7 | 179.2 | 173.1 | 0 | 0 | 0 | 0 | 110.5 | L52 N57 Q58 Y59 Y63 C64 L65 Y94 L106 | L52-V61 HydrophobicContact CD2-CB 4.04Å; L52-V61 HydrophobicContact CD2-CG1 3.65Å; L52-V61 HydrophobicContact CD2-CG2 4.14Å; N57-V61 WeakPolarHBondContact O-CG2 3.44Å; N57-V61 PolarHBondContact O-N 2.88Å; Q58-V61 PolarHBondContact O-N 3.44Å; Y59-V61 VanDerWaalsContact C-N 3.34Å; Y59-V61 PolarHBondContact O-N 3.29Å; V61-Y63 VanDerWaalsContact C-N 3.34Å; V61-Y63 PolarHBondContact O-N 2.74Å; V61-C64 PolarHBondContact O-N 3.27Å; V61-L65 HydrophobicContact CG1-CD1 3.91Å; V61-L65 HydrophobicContact CG1-CG 4.34Å; V61-L65 WeakPolarHBondContact O-CB 3.4Å; V61-L65 VanDerWaalsContact O-CG 3.27Å; V61-L65 WeakPolarHBondContact O-CG 3.31Å; V61-L65 PolarHBondContact O-N 2.92Å; V61-Y94 WeakPolarHBondContact CG1-OH 3.36Å; V61-L106 HydrophobicContact CB-CD1 4.48Å; V61-L106 HydrophobicContact CB-CD2 4.37Å; V61-L106 HydrophobicContact CG1-CD1 4.02Å; V61-L106 HydrophobicContact CG1-CD2 3.75Å; V61-L106 HydrophobicContact CG1-CG 4.37Å |
| 62 | L | 85.5 | Confident | 84.6 | Confident | 69 Ų | 69 | 40 Ų | 40 | 36% | 0.361 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -61.6 | -42.4 | -179.3 | -174.8 | 69.7 | 0 | 0 | 0 | 112.1 | Q58 Y59 G66 F105 L106 K109 | Q58-L62 VanDerWaalsContact O-CB 3.32Å; Q58-L62 WeakPolarHBondContact O-CB 3.36Å; Q58-L62 PolarHBondContact O-N 2.88Å; Y59-L62 PolarHBondContact O-N 3.35Å; L62-G66 PolarHBondContact O-N 3.49Å; L62-F105 HydrophobicContact CD1-CE2 4.42Å; L62-L106 HydrophobicContact CB-CD2 4.42Å; L62-L106 HydrophobicContact CD1-CD2 4.46Å; L62-K109 HydrophobicContact CD1-CD 3.67Å |
| 63 | Y | 85.7 | Confident | 84.6 | Confident | 30 Ų | 30 | 41.6 Ų | 41.6 | 12% | 0.118 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -64.2 | -48.4 | 176 | 175.2 | -106.1 | 0 | 0 | 0 | 111.7 | L11 L35 F38 Y59 V60 V61 L65 G66 V67 | L11-Y63 HydrophobicContact CD1-CD1 4.1Å; L11-Y63 HydrophobicContact CD1-CE1 3.92Å; L11-Y63 HydrophobicContact CD2-CD1 4.3Å; L35-Y63 WeakPolarHBondContact CA-OH 3.32Å; L35-Y63 HydrophobicContact CB-CE2 3.82Å; L35-Y63 HydrophobicContact CD2-CD2 4.46Å; L35-Y63 HydrophobicContact CD2-CE1 3.97Å; L35-Y63 HydrophobicContact CD2-CE2 3.91Å; L35-Y63 HydrophobicContact CG-CE2 4.29Å; L35-Y63 PolarHBondContact O-OH 3.44Å; F38-Y63 HydrophobicContact CD1-CE1 4.05Å; F38-Y63 VanDerWaalsContact CD1-OH 3.3Å; F38-Y63 WeakPolarHBondContact CD1-OH 3.33Å; F38-Y63 HydrophobicContact CE1-CE1 4.34Å; Y59-Y63 WeakPolarHBondContact O-CB 3.46Å; Y59-Y63 PolarHBondContact O-N 3.49Å; V60-Y63 PolarHBondContact O-N 3.11Å; V61-Y63 VanDerWaalsContact C-N 3.34Å; V61-Y63 PolarHBondContact O-N 2.74Å; Y63-L65 VanDerWaalsContact C-N 3.31Å; Y63-L65 PolarHBondContact O-N 3.29Å; Y63-G66 CarbonylContact O-C 3.52Å; Y63-G66 VanDerWaalsContact O-CA 3.3Å; Y63-G66 WeakPolarHBondContact O-CA 3.47Å; Y63-G66 PolarHBondContact O-N 2.88Å; Y63-V67 HydrophobicContact CD1-CG2 4.44Å; Y63-V67 HydrophobicContact CE1-CG2 3.97Å; Y63-V67 HydrophobicContact CE2-CG2 4.23Å; Y63-V67 PolarHBondContact O-N 2.94Å |
| 64 | C | 88.2 | Confident | 84.7 | Confident | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.007 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -62.7 | -38 | 178.5 | -65.3 | 0 | 0 | 0 | 0 | 112.1 | A48 L52 V60 V61 G66 V67 I68 | A48-C64 HydrophobicContact CB-CB 3.97Å; L52-C64 HydrophobicContact CD1-CB 3.97Å; L52-C64 HydrophobicContact CD2-CB 3.86Å; L52-C64 HydrophobicContact CG-CB 3.6Å; V60-C64 WeakPolarHBondContact O-CB 3.39Å; V60-C64 PolarHBondContact O-N 3.46Å; V60-C64 PolarHBondContact O-SG 2.87Å; V61-C64 PolarHBondContact O-N 3.27Å; C64-G66 VanDerWaalsContact C-N 3.28Å; C64-G66 PolarHBondContact O-N 3.49Å; C64-V67 PolarHBondContact O-N 3.32Å; C64-I68 WeakPolarHBondContact O-CG1 3.32Å; C64-I68 PolarHBondContact O-N 3.13Å |
| 65 | L | 88.7 | Confident | 84.9 | Confident | 1 Ų | 1 | 42.3 Ų | 42.3 | 1% | 0.005 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -64.3 | -33.4 | 171.1 | -71.1 | 174.5 | 0 | 0 | 0 | 111.8 | L52 V61 Y63 I68 E69 L106 K109 T110 L113 | L52-L65 HydrophobicContact CD1-CD2 4.03Å; L52-L65 HydrophobicContact CD1-CG 4.44Å; L52-L65 HydrophobicContact CD2-CD2 4.46Å; L52-L65 HydrophobicContact CD2-CG 4.22Å; V61-L65 HydrophobicContact CG1-CD1 3.91Å; V61-L65 HydrophobicContact CG1-CG 4.34Å; V61-L65 WeakPolarHBondContact O-CB 3.4Å; V61-L65 VanDerWaalsContact O-CG 3.27Å; V61-L65 WeakPolarHBondContact O-CG 3.31Å; V61-L65 PolarHBondContact O-N 2.92Å; Y63-L65 VanDerWaalsContact C-N 3.31Å; Y63-L65 PolarHBondContact O-N 3.29Å; L65-I68 PolarHBondContact O-N 3.05Å; L65-E69 PolarHBondContact O-N 3.28Å; L65-L106 HydrophobicContact CD1-CD2 4.32Å; L65-K109 HydrophobicContact CB-CD 4.02Å; L65-K109 HydrophobicContact CB-CG 4.28Å; L65-K109 HydrophobicContact CD1-CB 4.31Å; L65-K109 HydrophobicContact CD1-CD 4.45Å; L65-K109 HydrophobicContact CD1-CG 4.28Å; L65-T110 WeakPolarHBondContact CD1-OG1 3.48Å; L65-T110 HydrophobicContact CD2-CG2 4.39Å; L65-L113 HydrophobicContact CB-CD1 4.03Å; L65-L113 HydrophobicContact CD2-CD1 3.7Å; L65-L113 HydrophobicContact CG-CD1 4.45Å; L65-L113 VanDerWaalsContact O-CD1 3.31Å; L65-L113 WeakPolarHBondContact O-CD1 3.28Å |
| 66 | G | 89.4 | Confident | 85.1 | Confident | 13 Ų | 13 | 41.8 Ų | 41.8 | 13% | 0.134 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -63.5 | -46 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113 | L62 Y63 C64 I68 E69 T70 | L62-G66 PolarHBondContact O-N 3.49Å; Y63-G66 CarbonylContact O-C 3.52Å; Y63-G66 VanDerWaalsContact O-CA 3.3Å; Y63-G66 WeakPolarHBondContact O-CA 3.47Å; Y63-G66 PolarHBondContact O-N 2.88Å; C64-G66 VanDerWaalsContact C-N 3.28Å; C64-G66 PolarHBondContact O-N 3.49Å; G66-I68 VanDerWaalsContact C-N 3.26Å; G66-I68 PolarHBondContact O-N 3.36Å; G66-E69 WeakPolarHBondContact O-CA 3.29Å; G66-E69 VanDerWaalsContact O-CB 3.22Å; G66-E69 WeakPolarHBondContact O-CB 3.22Å; G66-E69 PolarHBondContact O-N 3.03Å; G66-T70 PolarHBondContact O-N 2.93Å; G66-T70 PolarHBondContact O-OG1 3.02Å |
| 67 | V | 87.7 | Confident | 85.4 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -59.6 | -38.7 | 174.3 | 177.2 | 0 | 0 | 0 | 0 | 111.3 | E39 A44 A48 Y63 C64 T70 T71 | E39-V67 HydrophobicContact CB-CG2 4.18Å; E39-V67 HydrophobicContact CG-CG2 4.18Å; A44-V67 HydrophobicContact CB-CG1 3.54Å; A48-V67 HydrophobicContact CB-CB 4.22Å; A48-V67 HydrophobicContact CB-CG1 4.16Å; Y63-V67 HydrophobicContact CD1-CG2 4.44Å; Y63-V67 HydrophobicContact CE1-CG2 3.97Å; Y63-V67 HydrophobicContact CE2-CG2 4.23Å; Y63-V67 PolarHBondContact O-N 2.94Å; C64-V67 PolarHBondContact O-N 3.32Å; V67-T70 PolarHBondContact O-OG1 2.9Å; V67-T70 VanDerWaalsContact O-OG1 3.07Å; V67-T71 WeakPolarHBondContact O-CG2 3.44Å; V67-T71 PolarHBondContact O-N 3.19Å; V67-T71 VanDerWaalsContact O-N 3.09Å; V67-T71 PolarHBondContact O-OG1 2.89Å |
| 68 | I | 89.5 | Confident | 85.5 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -66.4 | -40.4 | 174 | -66.4 | 174.7 | 0 | 0 | 0 | 111 | A48 I49 L52 C64 L65 G66 T71 I72 M87 L91 L113 | A48-I68 HydrophobicContact CB-CG1 4.24Å; I49-I68 HydrophobicContact CG1-CD1 4.13Å; L52-I68 HydrophobicContact CD1-CD1 3.51Å; C64-I68 WeakPolarHBondContact O-CG1 3.32Å; C64-I68 PolarHBondContact O-N 3.13Å; L65-I68 PolarHBondContact O-N 3.05Å; G66-I68 VanDerWaalsContact C-N 3.26Å; G66-I68 PolarHBondContact O-N 3.36Å; I68-T71 WeakPolarHBondContact CA-OG1 3.37Å; I68-T71 PolarHBondContact O-N 2.9Å; I68-T71 PolarHBondContact O-OG1 3.32Å; I68-I72 HydrophobicContact CG2-CD1 3.63Å; I68-I72 HydrophobicContact CG2-CG1 4.31Å; I68-I72 WeakPolarHBondContact O-CD1 3.46Å; I68-I72 WeakPolarHBondContact O-CG1 3.23Å; I68-I72 PolarHBondContact O-N 3.08Å; I68-M87 HydrophobicContact CB-CE 4.17Å; I68-M87 HydrophobicContact CG1-CE 3.95Å; I68-M87 HydrophobicContact CG2-CE 3.64Å; I68-M87 HydrophobicContact CG2-CG 4.4Å; I68-M87 HydrophobicContact CG2-SD 3.87Å; I68-L91 HydrophobicContact CG2-CD2 4.48Å; I68-L113 HydrophobicContact CB-CD1 4.08Å; I68-L113 HydrophobicContact CG2-CD1 3.83Å |
| 69 | E | 89.5 | Confident | 85.6 | Confident | 31 Ų | 31 | 36.7 Ų | 36.7 | 15% | 0.145 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -57.5 | -49.9 | 175.3 | -160.8 | 166.3 | -172.9 | 0 | 0 | 112.2 | L65 G66 T71 I72 I73 K109 K112 L113 L116 | L65-E69 PolarHBondContact O-N 3.28Å; G66-E69 WeakPolarHBondContact O-CA 3.29Å; G66-E69 VanDerWaalsContact O-CB 3.22Å; G66-E69 WeakPolarHBondContact O-CB 3.22Å; G66-E69 PolarHBondContact O-N 3.03Å; E69-T71 PolarHBondContact O-N 2.94Å; E69-I72 PolarHBondContact O-N 3.29Å; E69-I73 HydrophobicContact CG-CD1 3.95Å; E69-I73 VanDerWaalsContact O-CG1 3.31Å; E69-I73 WeakPolarHBondContact O-CG1 3.43Å; E69-I73 PolarHBondContact O-N 3.41Å; E69-K109 WeakPolarHBondContact OE2-CE 3.27Å; E69-K109 IonicContact OE2-NZ 3.41Å; E69-K109 PolarHBondContact OE2-NZ 3.48Å; E69-K112 IonicContact OE1-NZ 2.8Å; E69-K112 PolarHBondContact OE1-NZ 2.81Å; E69-L113 HydrophobicContact CB-CD2 3.44Å; E69-L113 VanDerWaalsContact CB-CD2 3.44Å; E69-L113 HydrophobicContact CG-CD2 3.53Å; E69-L116 HydrophobicContact CG-CD1 4.32Å |
| 70 | T | 86.9 | Confident | 85.7 | Confident | 38 Ų | 38 | 34 Ų | 34 | 23% | 0.233 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -67.7 | -37.1 | -178.7 | 46.6 | 0 | 0 | 0 | 0 | 112.3 | E39 G66 V67 I73 H74 | E39-T70 WeakPolarHBondContact CG-OG1 3.47Å; E39-T70 WeakPolarHBondContact OE1-CB 3.22Å; E39-T70 WeakPolarHBondContact OE1-CG2 3.43Å; E39-T70 PolarHBondContact OE1-OG1 3.02Å; G66-T70 PolarHBondContact O-N 2.93Å; G66-T70 PolarHBondContact O-OG1 3.02Å; V67-T70 PolarHBondContact O-OG1 2.9Å; V67-T70 VanDerWaalsContact O-OG1 3.07Å; T70-I73 PolarHBondContact O-N 3.5Å; T70-H74 WeakPolarHBondContact O-CB 3.42Å; T70-H74 PolarHBondContact O-CD2 2.9Å; T70-H74 VanDerWaalsContact O-CD2 3.31Å; T70-H74 PolarHBondContact O-N 2.94Å |
| 71 | T | 86.3 | Confident | 85.6 | Confident | 2 Ų | 2 | 42 Ų | 42 | 1% | 0.012 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -66.1 | -37.6 | 172.6 | 51.4 | 0 | 0 | 0 | 0 | 112.9 | W45 V67 I68 E69 Q75 W76 | W45-T71 HydrophobicContact CB-CG2 3.89Å; W45-T71 HydrophobicContact CG-CG2 4.44Å; V67-T71 WeakPolarHBondContact O-CG2 3.44Å; V67-T71 PolarHBondContact O-N 3.19Å; V67-T71 VanDerWaalsContact O-N 3.09Å; V67-T71 PolarHBondContact O-OG1 2.89Å; I68-T71 WeakPolarHBondContact CA-OG1 3.37Å; I68-T71 PolarHBondContact O-N 2.9Å; I68-T71 PolarHBondContact O-OG1 3.32Å; E69-T71 PolarHBondContact O-N 2.94Å; T71-Q75 CarbonylContact O-C 3.48Å; T71-Q75 WeakPolarHBondContact O-CA 3.47Å; T71-Q75 WeakPolarHBondContact O-CB 3.43Å; T71-Q75 PolarHBondContact O-N 3.31Å; T71-W76 PolarHBondContact O-N 3.17Å |
| 72 | I | 85.2 | Confident | 85.7 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -66.4 | -38.8 | 172.8 | -65.7 | 163.3 | 0 | 0 | 0 | 111.4 | I68 E69 W76 M87 L91 L113 L116 T117 F120 | I68-I72 HydrophobicContact CG2-CD1 3.63Å; I68-I72 HydrophobicContact CG2-CG1 4.31Å; I68-I72 WeakPolarHBondContact O-CD1 3.46Å; I68-I72 WeakPolarHBondContact O-CG1 3.23Å; I68-I72 PolarHBondContact O-N 3.08Å; E69-I72 PolarHBondContact O-N 3.29Å; I72-W76 HydrophobicContact CB-CE3 4.22Å; I72-W76 HydrophobicContact CG1-CE3 3.78Å; I72-W76 HydrophobicContact CG1-CZ3 3.86Å; I72-W76 HydrophobicContact CG2-CD2 4.38Å; I72-W76 HydrophobicContact CG2-CE3 4.23Å; I72-W76 WeakPolarHBondContact O-CB 3.43Å; I72-M87 HydrophobicContact CD1-SD 4.15Å; I72-M87 HydrophobicContact CG1-SD 3.8Å; I72-L91 HydrophobicContact CD1-CD1 4.44Å; I72-L113 HydrophobicContact CD1-CB 4.07Å; I72-L116 HydrophobicContact CG2-CB 3.96Å; I72-T117 HydrophobicContact CD1-CG2 3.64Å; I72-T117 HydrophobicContact CG1-CG2 4.02Å; I72-T117 HydrophobicContact CG2-CG2 4.25Å; I72-F120 HydrophobicContact CG2-CD2 4.21Å; I72-F120 HydrophobicContact CG2-CE2 4.03Å; I72-F120 WeakPolarHBondContact O-CE2 3.47Å |
| 73 | I | 84.7 | Confident | 85.7 | Confident | 42 Ų | 42 | 46.9 Ų | 46.9 | 22% | 0.215 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -74.3 | -41.4 | -178 | -67.4 | 166.7 | 0 | 0 | 0 | 111.7 | E69 T70 | E69-I73 HydrophobicContact CG-CD1 3.95Å; E69-I73 VanDerWaalsContact O-CG1 3.31Å; E69-I73 WeakPolarHBondContact O-CG1 3.43Å; E69-I73 PolarHBondContact O-N 3.41Å; T70-I73 PolarHBondContact O-N 3.5Å |
| 74 | H | 83.3 | Confident | 85.7 | Confident | 113 Ų | 113 | 46.4 Ų | 46.4 | 52% | 0.523 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -102.9 | -33.8 | -169.3 | -64.8 | -63.1 | 0 | 0 | 0 | 114.7 | T70 | T70-H74 WeakPolarHBondContact O-CB 3.42Å; T70-H74 PolarHBondContact O-CD2 2.9Å; T70-H74 VanDerWaalsContact O-CD2 3.31Å; T70-H74 PolarHBondContact O-N 2.94Å |
| 75 | Q | 83.2 | Confident | 85.6 | Confident | 47 Ų | 47 | 51.2 Ų | 51.2 | 22% | 0.22 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -113.8 | -7.1 | -169.3 | -62.7 | 179.4 | -2.5 | 0 | 0 | 113.4 | T71 P77 L78 L79 | T71-Q75 CarbonylContact O-C 3.48Å; T71-Q75 WeakPolarHBondContact O-CA 3.47Å; T71-Q75 WeakPolarHBondContact O-CB 3.43Å; T71-Q75 PolarHBondContact O-N 3.31Å; Q75-P77 VanDerWaalsContact C-CD 3.5Å; Q75-L78 WeakPolarHBondContact O-CA 3.4Å; Q75-L78 WeakPolarHBondContact O-CB 3.46Å; Q75-L78 PolarHBondContact O-N 2.66Å; Q75-L79 PolarHBondContact O-N 2.96Å |
| 76 | W | 85.3 | Confident | 85.5 | Confident | 2 Ų | 2 | 57.2 Ų | 57.2 | 1% | 0.008 | 29% | 0.293 | C | S | . | . | G | 310 helix | trans | -50.3 | -44.6 | -178.1 | -166 | -104 | 0 | 0 | 0 | 116 | T71 I72 L78 L79 K84 M87 R88 T117 F120 D121 | T71-W76 PolarHBondContact O-N 3.17Å; I72-W76 HydrophobicContact CB-CE3 4.22Å; I72-W76 HydrophobicContact CG1-CE3 3.78Å; I72-W76 HydrophobicContact CG1-CZ3 3.86Å; I72-W76 HydrophobicContact CG2-CD2 4.38Å; I72-W76 HydrophobicContact CG2-CE3 4.23Å; I72-W76 WeakPolarHBondContact O-CB 3.43Å; W76-L78 PolarHBondContact O-N 3.18Å; W76-L79 HydrophobicContact CE3-CD1 3.94Å; W76-L79 HydrophobicContact CZ3-CD1 4.34Å; W76-L79 PolarHBondContact O-N 3.43Å; W76-K84 HydrophobicContact CH2-CB 4.29Å; W76-K84 HydrophobicContact CH2-CG 4.29Å; W76-K84 HydrophobicContact CZ2-CB 4.35Å; W76-K84 HydrophobicContact CZ2-CD 4.37Å; W76-K84 HydrophobicContact CZ2-CG 4.18Å; W76-K84 WeakPolarHBondContact O-CE 3.41Å; W76-K84 PolarHBondContact O-NZ 3.45Å; W76-M87 HydrophobicContact CE3-SD 4.45Å; W76-M87 HydrophobicContact CZ3-CB 4.5Å; W76-M87 HydrophobicContact CZ3-CG 4.44Å; W76-M87 HydrophobicContact CZ3-SD 3.7Å; W76-R88 HydrophobicContact CH2-CG 4.13Å; W76-T117 HydrophobicContact CE3-CG2 4.47Å; W76-T117 HydrophobicContact CH2-CG2 3.3Å; W76-T117 HydrophobicContact CZ2-CG2 3.74Å; W76-T117 HydrophobicContact CZ3-CG2 3.73Å; W76-F120 VanDerWaalsContact CD1-CB 3.41Å; W76-F120 AromaticContact CD1-CD2 3.84Å; W76-F120 AromaticContact CD1-CG 3.63Å; W76-F120 HydrophobicContact CG-CB 4.49Å; W76-F120 HydrophobicContact CG-CD2 4.2Å; W76-F120 HydrophobicContact CG-CG 4.36Å; W76-D121 WeakPolarHBondContact CZ2-OD2 3.33Å; W76-D121 VanDerWaalsContact NE1-CG 3.25Å; W76-D121 PolarHBondContact NE1-OD1 3.19Å; W76-D121 PolarHBondContact NE1-OD2 2.91Å |
| 77 | P | 79.9 | Confident | 85.3 | Confident | 100 Ų | 100 | 56.6 Ų | 56.6 | 65% | 0.649 | 29% | 0.287 | S | S | * | . | G | 310 helix | trans | -67.5 | -21.1 | 176.4 | 24.9 | -32.7 | 0 | 0 | 0 | 113.7 | Q75 | Q75-P77 VanDerWaalsContact C-CD 3.5Š|
| 78 | L | 82.9 | Confident | 85.2 | Confident | 147 Ų | 147 | 57.5 Ų | 57.5 | 77% | 0.77 | 29% | 0.29 | S | S | * | . | G | 310 helix | trans | -87.5 | -18.6 | -178.6 | -56.3 | 172.3 | 0 | 0 | 0 | 112.9 | Q75 W76 | Q75-L78 WeakPolarHBondContact O-CA 3.4Å; Q75-L78 WeakPolarHBondContact O-CB 3.46Å; Q75-L78 PolarHBondContact O-N 2.66Å; W76-L78 PolarHBondContact O-N 3.18Å |
| 79 | L | 83.5 | Confident | 85.1 | Confident | 25 Ų | 25 | 60.2 Ų | 60.2 | 13% | 0.131 | 31% | 0.309 | C | S | . | . | S | Bend | trans | -70.5 | 143 | -179.1 | -69.4 | 174.5 | 0 | 0 | 0 | 112.1 | W45 Q75 W76 D83 K84 | W45-L79 HydrophobicContact CZ2-CD2 4.47Å; Q75-L79 PolarHBondContact O-N 2.96Å; W76-L79 HydrophobicContact CE3-CD1 3.94Å; W76-L79 HydrophobicContact CZ3-CD1 4.34Å; W76-L79 PolarHBondContact O-N 3.43Å; L79-D83 HydrophobicContact CB-CB 4.49Å; L79-D83 HydrophobicContact CD2-CB 4.43Å; L79-K84 HydrophobicContact CB-CG 3.94Å |
| 80 | S | 85 | Confident | 85 | Confident | 53 Ų | 53 | 60.2 Ų | 60.2 | 37% | 0.371 | 31% | 0.309 | S | S | . | . | trans | -64.3 | 156.7 | 173.3 | 79.9 | 0 | 0 | 0 | 0 | 111.1 | D82 D83 K84 | S80-D82 PolarHBondContact O-N 3.04Å; S80-D83 PolarHBondContact O-N 3.5Å; S80-D83 WeakPolarHBondContact OG-CB 3.38Å; S80-D83 PolarHBondContact OG-N 3.34Å; S80-D83 VanDerWaalsContact OG-N 3.16Å; S80-D83 PolarHBondContact OG-OD2 3.01Å; S80-K84 WeakPolarHBondContact O-CG 3.28Å; S80-K84 PolarHBondContact O-N 2.92Å | ||
| 81 | K | 83.3 | Confident | 85 | Confident | 168 Ų | 168 | 58.4 Ų | 58.4 | 73% | 0.73 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -58.8 | -36.2 | 177.4 | -69.4 | -175.6 | 179.4 | -178.9 | 0 | 112 | L85 | K81-L85 WeakPolarHBondContact O-CB 3.46Å; K81-L85 VanDerWaalsContact O-CG 3.29Å; K81-L85 WeakPolarHBondContact O-CG 3.49Å; K81-L85 PolarHBondContact O-N 3.48Å |
| 82 | D | 85.2 | Confident | 84.9 | Confident | 125 Ų | 125 | 60.3 Ų | 60.3 | 67% | 0.668 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -69.2 | -39.8 | 179.4 | -63.7 | -33.1 | 0 | 0 | 0 | 111.8 | S80 L85 R86 | S80-D82 PolarHBondContact O-N 3.04Å; D82-L85 PolarHBondContact O-N 2.98Å; D82-R86 WeakPolarHBondContact O-CB 3.34Å; D82-R86 PolarHBondContact O-N 3.48Å |
| 83 | D | 86 | Confident | 84.9 | Confident | 46 Ų | 46 | 64 Ų | 64 | 25% | 0.246 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -68 | -42 | 176.7 | -64.4 | -40.7 | 0 | 0 | 0 | 111.5 | W45 L79 S80 L85 R86 M87 | W45-D83 HydrophobicContact CH2-CB 3.75Å; W45-D83 WeakPolarHBondContact CH2-OD1 3.47Å; W45-D83 HydrophobicContact CZ2-CB 3.89Å; L79-D83 HydrophobicContact CB-CB 4.49Å; L79-D83 HydrophobicContact CD2-CB 4.43Å; S80-D83 PolarHBondContact O-N 3.5Å; S80-D83 WeakPolarHBondContact OG-CB 3.38Å; S80-D83 PolarHBondContact OG-N 3.34Å; S80-D83 VanDerWaalsContact OG-N 3.16Å; S80-D83 PolarHBondContact OG-OD2 3.01Å; D83-L85 PolarHBondContact O-N 3.32Å; D83-R86 PolarHBondContact O-N 2.99Å; D83-M87 PolarHBondContact O-N 3.39Å |
| 84 | K | 86.6 | Confident | 84.9 | Confident | 21 Ų | 21 | 62.5 Ų | 62.5 | 9% | 0.091 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -57.6 | -48.6 | 172.8 | -71.8 | -176.6 | 177.5 | -162 | 0 | 111.3 | W76 L79 S80 R86 M87 R88 D121 | W76-K84 HydrophobicContact CH2-CB 4.29Å; W76-K84 HydrophobicContact CH2-CG 4.29Å; W76-K84 HydrophobicContact CZ2-CB 4.35Å; W76-K84 HydrophobicContact CZ2-CD 4.37Å; W76-K84 HydrophobicContact CZ2-CG 4.18Å; W76-K84 WeakPolarHBondContact O-CE 3.41Å; W76-K84 PolarHBondContact O-NZ 3.45Å; L79-K84 HydrophobicContact CB-CG 3.94Å; S80-K84 WeakPolarHBondContact O-CG 3.28Å; S80-K84 PolarHBondContact O-N 2.92Å; K84-R86 VanDerWaalsContact C-N 3.34Å; K84-R86 PolarHBondContact O-N 3.19Å; K84-M87 PolarHBondContact O-N 3.23Å; K84-R88 WeakPolarHBondContact O-CG 3.14Å; K84-R88 PolarHBondContact O-N 2.68Å; K84-D121 IonicContact NZ-OD1 3.6Å |
| 85 | L | 85.7 | Confident | 84.8 | Confident | 101 Ų | 101 | 57.1 Ų | 57.1 | 53% | 0.529 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -60.9 | -43.3 | 178.4 | -76 | 172.7 | 0 | 0 | 0 | 111.6 | K81 D82 D83 R88 S89 | K81-L85 WeakPolarHBondContact O-CB 3.46Å; K81-L85 VanDerWaalsContact O-CG 3.29Å; K81-L85 WeakPolarHBondContact O-CG 3.49Å; K81-L85 PolarHBondContact O-N 3.48Å; D82-L85 PolarHBondContact O-N 2.98Å; D83-L85 PolarHBondContact O-N 3.32Å; L85-R88 PolarHBondContact O-N 3.08Å; L85-S89 WeakPolarHBondContact O-CB 3.36Å; L85-S89 PolarHBondContact O-N 3.46Å; L85-S89 PolarHBondContact O-OG 3.19Å |
| 86 | R | 85.7 | Confident | 84.6 | Confident | 128 Ų | 128 | 58.6 Ų | 58.6 | 48% | 0.483 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -62 | -43.1 | 177.3 | -177.4 | 179.8 | -72.2 | 176.9 | -1.5 | 112.2 | D82 D83 K84 S89 F90 | D82-R86 WeakPolarHBondContact O-CB 3.34Å; D82-R86 PolarHBondContact O-N 3.48Å; D83-R86 PolarHBondContact O-N 2.99Å; K84-R86 VanDerWaalsContact C-N 3.34Å; K84-R86 PolarHBondContact O-N 3.19Å; R86-S89 WeakPolarHBondContact CA-OG 3.21Å; R86-S89 PolarHBondContact O-OG 3.36Å; R86-F90 VanDerWaalsContact O-CB 3.25Å; R86-F90 WeakPolarHBondContact O-CB 3.44Å; R86-F90 PolarHBondContact O-N 2.85Å |
| 87 | M | 85.4 | Confident | 84.3 | Confident | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -66.6 | -44.2 | 178 | -172.7 | 174 | -100.6 | 0 | 0 | 111 | W45 I68 I72 W76 D83 K84 F90 L91 | W45-M87 HydrophobicContact CB-CE 3.62Å; W45-M87 HydrophobicContact CD2-CE 4.25Å; W45-M87 HydrophobicContact CE3-CE 3.99Å; W45-M87 HydrophobicContact CG-CE 4.14Å; I68-M87 HydrophobicContact CB-CE 4.17Å; I68-M87 HydrophobicContact CG1-CE 3.95Å; I68-M87 HydrophobicContact CG2-CE 3.64Å; I68-M87 HydrophobicContact CG2-CG 4.4Å; I68-M87 HydrophobicContact CG2-SD 3.87Å; I72-M87 HydrophobicContact CD1-SD 4.15Å; I72-M87 HydrophobicContact CG1-SD 3.8Å; W76-M87 HydrophobicContact CE3-SD 4.45Å; W76-M87 HydrophobicContact CZ3-CB 4.5Å; W76-M87 HydrophobicContact CZ3-CG 4.44Å; W76-M87 HydrophobicContact CZ3-SD 3.7Å; D83-M87 PolarHBondContact O-N 3.39Å; K84-M87 PolarHBondContact O-N 3.23Å; M87-F90 PolarHBondContact O-N 3.4Å; M87-L91 HydrophobicContact CG-CD1 4.34Å; M87-L91 WeakPolarHBondContact O-CG 3.39Å; M87-L91 PolarHBondContact O-N 3.06Å |
| 88 | R | 87.2 | Confident | 84 | Confident | 18 Ų | 18 | 62.8 Ų | 62.8 | 7% | 0.068 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -62 | -46.7 | 175.8 | -68.9 | -176.2 | -157.6 | 164.9 | 10 | 112.4 | W76 K84 L85 F90 L91 K92 D121 Q125 | W76-R88 HydrophobicContact CH2-CG 4.13Å; K84-R88 WeakPolarHBondContact O-CG 3.14Å; K84-R88 PolarHBondContact O-N 2.68Å; L85-R88 PolarHBondContact O-N 3.08Å; R88-F90 VanDerWaalsContact C-N 3.31Å; R88-F90 PolarHBondContact O-N 3.04Å; R88-L91 PolarHBondContact O-N 2.95Å; R88-K92 WeakPolarHBondContact O-CG 3.31Å; R88-K92 PolarHBondContact O-N 3.04Å; R88-D121 IonicContact CZ-OD2 3.44Å; R88-D121 IonicContact NE-OD2 3.67Å; R88-D121 VanDerWaalsContact NH2-CB 3.31Å; R88-D121 IonicContact NH2-OD2 2.57Å; R88-D121 PolarHBondContact NH2-OD2 3.46Å; R88-Q125 PolarHBondContact NH1-O 2.98Å |
| 89 | S | 86.2 | Confident | 83.1 | Confident | 57 Ų | 57 | 56.2 Ų | 56.2 | 40% | 0.399 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -63.1 | -41 | 179.3 | 65.8 | 0 | 0 | 0 | 0 | 111 | L85 R86 K92 D93 | L85-S89 WeakPolarHBondContact O-CB 3.36Å; L85-S89 PolarHBondContact O-N 3.46Å; L85-S89 PolarHBondContact O-OG 3.19Å; R86-S89 WeakPolarHBondContact CA-OG 3.21Å; R86-S89 PolarHBondContact O-OG 3.36Å; S89-K92 PolarHBondContact O-N 3.33Å; S89-D93 WeakPolarHBondContact O-CB 3.21Å; S89-D93 VanDerWaalsContact O-CG 3.24Å; S89-D93 PolarHBondContact O-N 3.07Å |
| 90 | F | 86.9 | Confident | 82 | Confident | 31 Ų | 31 | 58.9 Ų | 58.9 | 14% | 0.136 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -62.2 | -46.5 | 176.2 | 179.4 | -99 | 0 | 0 | 0 | 112.2 | I49 L52 R86 M87 R88 K92 D93 Y94 | I49-F90 HydrophobicContact CB-CD1 4.39Å; I49-F90 HydrophobicContact CB-CE1 4.39Å; I49-F90 HydrophobicContact CD1-CB 4.46Å; I49-F90 HydrophobicContact CD1-CD1 4.4Å; I49-F90 HydrophobicContact CD1-CG 4.44Å; I49-F90 HydrophobicContact CG1-CD1 3.84Å; I49-F90 HydrophobicContact CG1-CE1 4.13Å; I49-F90 HydrophobicContact CG1-CG 4.2Å; I49-F90 HydrophobicContact CG2-CB 4.46Å; I49-F90 HydrophobicContact CG2-CD1 4.07Å; I49-F90 HydrophobicContact CG2-CD2 3.58Å; I49-F90 HydrophobicContact CG2-CE1 4.2Å; I49-F90 HydrophobicContact CG2-CE2 3.72Å; I49-F90 HydrophobicContact CG2-CG 3.75Å; I49-F90 HydrophobicContact CG2-CZ 4.04Å; I49-F90 WeakPolarHBondContact O-CZ 3.26Å; L52-F90 HydrophobicContact CB-CE1 3.95Å; L52-F90 HydrophobicContact CB-CZ 3.6Å; L52-F90 HydrophobicContact CD1-CE1 3.81Å; L52-F90 HydrophobicContact CD1-CZ 4.34Å; R86-F90 VanDerWaalsContact O-CB 3.25Å; R86-F90 WeakPolarHBondContact O-CB 3.44Å; R86-F90 PolarHBondContact O-N 2.85Å; M87-F90 PolarHBondContact O-N 3.4Å; R88-F90 VanDerWaalsContact C-N 3.31Å; R88-F90 PolarHBondContact O-N 3.04Å; F90-K92 PolarHBondContact O-N 3.35Å; F90-D93 PolarHBondContact O-N 3.47Å; F90-Y94 HydrophobicContact CE1-CD2 4.29Å; F90-Y94 HydrophobicContact CZ-CD2 4.04Å; F90-Y94 WeakPolarHBondContact O-CB 3.28Å; F90-Y94 PolarHBondContact O-N 2.94Å |
| 91 | L | 87.8 | Confident | 81 | Confident | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -61.6 | -43.5 | 178.4 | -70.1 | 172.8 | 0 | 0 | 0 | 111.5 | I68 I72 M87 R88 Y94 L95 T110 L113 L114 T117 | I68-L91 HydrophobicContact CG2-CD2 4.48Å; I72-L91 HydrophobicContact CD1-CD1 4.44Å; M87-L91 HydrophobicContact CG-CD1 4.34Å; M87-L91 WeakPolarHBondContact O-CG 3.39Å; M87-L91 PolarHBondContact O-N 3.06Å; R88-L91 PolarHBondContact O-N 2.95Å; L91-Y94 PolarHBondContact O-N 3.21Å; L91-L95 WeakPolarHBondContact O-CG 3.49Å; L91-L95 PolarHBondContact O-N 3.01Å; L91-T110 HydrophobicContact CD2-CG2 3.77Å; L91-L113 HydrophobicContact CD1-CB 4.11Å; L91-L113 HydrophobicContact CD2-CB 4.37Å; L91-L113 HydrophobicContact CD2-CD1 4.38Å; L91-L114 HydrophobicContact CB-CD1 4.12Å; L91-T117 HydrophobicContact CD1-CG2 4.33Å |
| 92 | K | 85 | Confident | 80.1 | Confident | 42 Ų | 42 | 57 Ų | 57 | 18% | 0.183 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -59.7 | -50 | 174 | -73.4 | -171.7 | -178.3 | -170.9 | 0 | 112.2 | R88 S89 F90 Y94 L95 N96 L114 Y126 F132 | R88-K92 WeakPolarHBondContact O-CG 3.31Å; R88-K92 PolarHBondContact O-N 3.04Å; S89-K92 PolarHBondContact O-N 3.33Å; F90-K92 PolarHBondContact O-N 3.35Å; K92-Y94 VanDerWaalsContact C-N 3.27Å; K92-Y94 PolarHBondContact O-N 3.4Å; K92-L95 PolarHBondContact O-N 3.43Å; K92-N96 PolarHBondContact O-N 3.08Å; K92-L114 HydrophobicContact CG-CD1 4.19Å; K92-L114 HydrophobicContact CG-CD2 4.3Å; K92-Y126 WeakPolarHBondContact CE-OH 3.32Å; K92-Y126 PolarHBondContact NZ-OH 2.9Å; K92-F132 HydrophobicContact CB-CE2 4.47Å; K92-F132 HydrophobicContact CD-CD2 4.15Å; K92-F132 HydrophobicContact CD-CE2 4.11Å; K92-F132 HydrophobicContact CG-CE2 4.11Å; K92-F132 HydrophobicContact CG-CZ 4.27Å |
| 93 | D | 83.8 | Confident | 79.4 | Confident | 78 Ų | 78 | 55.2 Ų | 55.2 | 42% | 0.417 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -62.6 | -38.2 | -180 | -75.5 | -9.6 | 0 | 0 | 0 | 111.7 | S89 F90 N96 K97 | S89-D93 WeakPolarHBondContact O-CB 3.21Å; S89-D93 VanDerWaalsContact O-CG 3.24Å; S89-D93 PolarHBondContact O-N 3.07Å; F90-D93 PolarHBondContact O-N 3.47Å; D93-N96 PolarHBondContact O-N 3.41Å; D93-K97 VanDerWaalsContact O-CB 3.27Å; D93-K97 WeakPolarHBondContact O-CB 3.46Å; D93-K97 WeakPolarHBondContact O-CG 3.32Å; D93-K97 PolarHBondContact O-N 2.97Å |
| 94 | Y | 84.1 | Confident | 78.9 | Confident | 10 Ų | 10 | 55.4 Ų | 55.4 | 4% | 0.039 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -65.4 | -45.7 | 178 | -175.8 | -84.7 | 0 | 0 | 0 | 110.9 | L52 V61 F90 L91 K92 N98 Q102 T110 | L52-Y94 HydrophobicContact CB-CD2 4.48Å; L52-Y94 HydrophobicContact CB-CE2 4.15Å; L52-Y94 HydrophobicContact CD2-CE2 4.13Å; V61-Y94 WeakPolarHBondContact CG1-OH 3.36Å; F90-Y94 HydrophobicContact CE1-CD2 4.29Å; F90-Y94 HydrophobicContact CZ-CD2 4.04Å; F90-Y94 WeakPolarHBondContact O-CB 3.28Å; F90-Y94 PolarHBondContact O-N 2.94Å; L91-Y94 PolarHBondContact O-N 3.21Å; K92-Y94 VanDerWaalsContact C-N 3.27Å; K92-Y94 PolarHBondContact O-N 3.4Å; Y94-N98 VanDerWaalsContact CD2-ND2 3.27Å; Y94-N98 WeakPolarHBondContact CD2-ND2 3.2Å; Y94-N98 WeakPolarHBondContact CE1-ND2 3.18Å; Y94-N98 WeakPolarHBondContact CE2-ND2 3.29Å; Y94-N98 VanDerWaalsContact O-CB 3.24Å; Y94-N98 WeakPolarHBondContact O-CB 3.49Å; Y94-N98 PolarHBondContact O-N 2.9Å; Y94-N98 PolarHBondContact O-ND2 3.42Å; Y94-Q102 PolarHBondContact OH-NE2 3.25Å; Y94-Q102 PolarHBondContact OH-OE1 3.44Å; Y94-Q102 VanDerWaalsContact OH-OE1 3.04Å; Y94-T110 HydrophobicContact CD1-CG2 3.83Å; Y94-T110 HydrophobicContact CE1-CG2 4.39Å |
| 95 | L | 82.6 | Confident | 78.5 | Confident | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -58.4 | -50.5 | 174.1 | -71.9 | -178.1 | 0 | 0 | 0 | 111 | L91 K92 K97 N98 C99 L107 T110 L114 M153 | L91-L95 WeakPolarHBondContact O-CG 3.49Å; L91-L95 PolarHBondContact O-N 3.01Å; K92-L95 PolarHBondContact O-N 3.43Å; L95-K97 PolarHBondContact O-N 2.92Å; L95-N98 PolarHBondContact O-N 3.44Å; L95-C99 WeakPolarHBondContact O-CB 3.5Å; L95-C99 PolarHBondContact O-N 2.66Å; L95-L107 HydrophobicContact CD2-CD2 4.48Å; L95-T110 HydrophobicContact CD1-CG2 4.46Å; L95-T110 VanDerWaalsContact CD2-CB 3.4Å; L95-T110 HydrophobicContact CD2-CG2 3.44Å; L95-T110 VanDerWaalsContact CD2-CG2 3.44Å; L95-T110 HydrophobicContact CG-CG2 3.74Å; L95-L114 HydrophobicContact CD1-CD2 3.9Å; L95-M153 HydrophobicContact CB-CE 3.72Å; L95-M153 HydrophobicContact CB-CG 4.42Å; L95-M153 HydrophobicContact CB-SD 3.82Å; L95-M153 HydrophobicContact CD1-SD 4.02Å; L95-M153 HydrophobicContact CD2-CE 3.82Å; L95-M153 HydrophobicContact CD2-SD 3.5Å; L95-M153 WeakPolarHBondContact CD2-SD 3.49Å; L95-M153 HydrophobicContact CG-CE 4.31Å; L95-M153 HydrophobicContact CG-SD 3.95Å; L95-M153 WeakPolarHBondContact O-CE 3.41Å |
| 96 | N | 79.5 | Confident | 78.3 | Confident | 79 Ų | 79 | 53.9 Ų | 53.9 | 42% | 0.422 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -63.6 | -42.7 | -177.8 | -73.8 | -13.8 | 0 | 0 | 0 | 113.1 | K92 D93 H136 | K92-N96 PolarHBondContact O-N 3.08Å; D93-N96 PolarHBondContact O-N 3.41Å; N96-H136 PolarHBondContact OD1-NE2 3.07Å |
| 97 | K | 78.4 | Confident | 78.1 | Confident | 153 Ų | 153 | 48 Ų | 48 | 67% | 0.665 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -70.1 | -34.6 | -179.9 | -73.6 | 170.3 | -176.9 | 167.4 | 0 | 112.8 | D93 L95 | D93-K97 VanDerWaalsContact O-CB 3.27Å; D93-K97 WeakPolarHBondContact O-CB 3.46Å; D93-K97 WeakPolarHBondContact O-CG 3.32Å; D93-K97 PolarHBondContact O-N 2.97Å; L95-K97 PolarHBondContact O-N 2.92Å |
| 98 | N | 74.1 | Confident | 78.1 | Confident | 36 Ų | 36 | 51.4 Ų | 51.4 | 19% | 0.193 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -98.7 | -7.8 | -171.8 | -67.5 | -32.4 | 0 | 0 | 0 | 114.4 | Y94 L95 L100 N101 Q102 L107 | Y94-N98 VanDerWaalsContact CD2-ND2 3.27Å; Y94-N98 WeakPolarHBondContact CD2-ND2 3.2Å; Y94-N98 WeakPolarHBondContact CE1-ND2 3.18Å; Y94-N98 WeakPolarHBondContact CE2-ND2 3.29Å; Y94-N98 VanDerWaalsContact O-CB 3.24Å; Y94-N98 WeakPolarHBondContact O-CB 3.49Å; Y94-N98 PolarHBondContact O-N 2.9Å; Y94-N98 PolarHBondContact O-ND2 3.42Å; L95-N98 PolarHBondContact O-N 3.44Å; N98-L100 PolarHBondContact O-N 3.29Å; N98-N101 PolarHBondContact O-N 2.87Å; N98-Q102 HydrophobicContact CB-CB 4.12Å; N98-Q102 HydrophobicContact CB-CG 3.81Å; N98-Q102 PolarHBondContact ND2-NE2 3Å; N98-Q102 PolarHBondContact ND2-OE1 3.37Å; N98-Q102 PolarHBondContact O-N 3.25Å; N98-L107 HydrophobicContact CB-CD2 4.33Å |
| 99 | C | 62.6 | Low | 78.1 | Confident | 10 Ų | 10 | 52.8 Ų | 52.8 | 7% | 0.068 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -48.9 | -33.7 | -179.6 | -171.7 | 0 | 0 | 0 | 0 | 114 | L95 K149 M153 | L95-C99 WeakPolarHBondContact O-CB 3.5Å; L95-C99 PolarHBondContact O-N 2.66Å; C99-K149 PolarHBondContact SG-O 2.83Å; C99-M153 HydrophobicContact CB-CE 3.75Å |
| 100 | L | 60.7 | Low | 78.1 | Confident | 81 Ų | 81 | 50 Ų | 50 | 42% | 0.424 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | -29.8 | -178 | -65.3 | 176.6 | 0 | 0 | 0 | 114 | N98 T146 K149 | N98-L100 PolarHBondContact O-N 3.29Å; L100-T146 HydrophobicContact CD2-CG2 4.17Å; L100-K149 HydrophobicContact CD2-CB 4.26Å; L100-K149 HydrophobicContact CD2-CD 3.76Å; L100-K149 PolarHBondContact O-NZ 2.82Å |
| 101 | N | 64.1 | Low | 78.1 | Confident | 144 Ų | 144 | 48.6 Ų | 48.6 | 77% | 0.77 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -118.4 | -20.8 | -160.4 | -68.2 | -18.2 | 0 | 0 | 0 | 114.9 | N98 | N98-N101 PolarHBondContact O-N 2.87Š|
| 102 | Q | 64.8 | Low | 78.2 | Confident | 38 Ų | 38 | 52.3 Ų | 52.3 | 18% | 0.178 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -91.2 | 158.6 | -178.3 | -82.7 | -172.1 | -14.5 | 0 | 0 | 113.3 | Y94 N98 L107 | Y94-Q102 PolarHBondContact OH-NE2 3.25Å; Y94-Q102 PolarHBondContact OH-OE1 3.44Å; Y94-Q102 VanDerWaalsContact OH-OE1 3.04Å; N98-Q102 HydrophobicContact CB-CB 4.12Å; N98-Q102 HydrophobicContact CB-CG 3.81Å; N98-Q102 PolarHBondContact ND2-NE2 3Å; N98-Q102 PolarHBondContact ND2-OE1 3.37Å; N98-Q102 PolarHBondContact O-N 3.25Å; Q102-L107 HydrophobicContact CB-CD2 4.19Å; Q102-L107 HydrophobicContact CB-CG 4.46Å |
| 103 | L | 69.5 | Low | 78.4 | Confident | 87 Ų | 87 | 50.3 Ų | 50.3 | 46% | 0.455 | 25% | 0.246 | S | C | . | . | trans | -71.8 | 143.6 | 174.7 | -71.4 | 85 | 0 | 0 | 0 | 111.1 | F105 L106 | L103-F105 VanDerWaalsContact C-N 3.26Å; L103-F105 HydrophobicContact CB-CD1 3.73Å; L103-F105 HydrophobicContact CB-CE1 3.68Å; L103-F105 HydrophobicContact CD2-CD1 4.41Å; L103-F105 HydrophobicContact CD2-CE1 3.98Å; L103-F105 HydrophobicContact CG-CE1 4.36Å; L103-F105 PolarHBondContact O-N 3.38Å; L103-F105 VanDerWaalsContact O-N 3.1Å; L103-L106 PolarHBondContact O-N 3.09Å | ||
| 104 | N | 75.3 | Confident | 78.6 | Confident | 49 Ų | 49 | 46.6 Ų | 46.6 | 26% | 0.262 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -51.6 | -37.3 | -174.6 | -68 | -7.8 | 0 | 0 | 0 | 114.2 | L106 L107 K108 Y156 | N104-L106 VanDerWaalsContact C-N 3.31Å; N104-L106 PolarHBondContact O-N 3.41Å; N104-L107 PolarHBondContact O-N 3.31Å; N104-K108 WeakPolarHBondContact O-CG 3.47Å; N104-K108 PolarHBondContact O-N 2.92Å; N104-Y156 VanDerWaalsContact CB-OH 3.32Å; N104-Y156 WeakPolarHBondContact CB-OH 3.46Å |
| 105 | F | 79.7 | Confident | 78.8 | Confident | 87 Ų | 87 | 46.1 Ų | 46.1 | 38% | 0.382 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -64.8 | -32.2 | -178.2 | 78 | -90.5 | 0 | 0 | 0 | 113.4 | Q58 L62 L103 K109 | Q58-F105 HydrophobicContact CB-CZ 4.4Å; L62-F105 HydrophobicContact CD1-CE2 4.42Å; L103-F105 VanDerWaalsContact C-N 3.26Å; L103-F105 HydrophobicContact CB-CD1 3.73Å; L103-F105 HydrophobicContact CB-CE1 3.68Å; L103-F105 HydrophobicContact CD2-CD1 4.41Å; L103-F105 HydrophobicContact CD2-CE1 3.98Å; L103-F105 HydrophobicContact CG-CE1 4.36Å; L103-F105 PolarHBondContact O-N 3.38Å; L103-F105 VanDerWaalsContact O-N 3.1Å; F105-K109 PolarHBondContact O-N 3.16Å |
| 106 | L | 80.8 | Confident | 79 | Confident | 3 Ų | 3 | 46.6 Ų | 46.6 | 2% | 0.016 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -74.2 | -37.4 | 176.8 | -66.5 | 175 | 0 | 0 | 0 | 111.3 | Q58 V61 L62 L65 L103 N104 K109 T110 | Q58-L106 HydrophobicContact CG-CD1 4.46Å; V61-L106 HydrophobicContact CB-CD1 4.48Å; V61-L106 HydrophobicContact CB-CD2 4.37Å; V61-L106 HydrophobicContact CG1-CD1 4.02Å; V61-L106 HydrophobicContact CG1-CD2 3.75Å; V61-L106 HydrophobicContact CG1-CG 4.37Å; L62-L106 HydrophobicContact CB-CD2 4.42Å; L62-L106 HydrophobicContact CD1-CD2 4.46Å; L65-L106 HydrophobicContact CD1-CD2 4.32Å; L103-L106 PolarHBondContact O-N 3.09Å; N104-L106 VanDerWaalsContact C-N 3.31Å; N104-L106 PolarHBondContact O-N 3.41Å; L106-K109 PolarHBondContact O-N 2.76Å; L106-T110 WeakPolarHBondContact O-CB 3.27Å; L106-T110 PolarHBondContact O-N 2.92Å; L106-T110 PolarHBondContact O-OG1 2.71Å |
| 107 | L | 82.4 | Confident | 79.3 | Confident | 4 Ų | 4 | 42.9 Ų | 42.9 | 2% | 0.021 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -64.9 | -47.3 | 174.6 | -60.2 | -177.3 | 0 | 0 | 0 | 110.6 | L95 N98 Q102 N104 K109 T110 A111 M153 Y156 | L95-L107 HydrophobicContact CD2-CD2 4.48Å; N98-L107 HydrophobicContact CB-CD2 4.33Å; Q102-L107 HydrophobicContact CB-CD2 4.19Å; Q102-L107 HydrophobicContact CB-CG 4.46Å; N104-L107 PolarHBondContact O-N 3.31Å; L107-K109 PolarHBondContact O-N 2.97Å; L107-T110 PolarHBondContact O-N 3.35Å; L107-A111 WeakPolarHBondContact O-CB 3.1Å; L107-A111 PolarHBondContact O-N 3.42Å; L107-M153 HydrophobicContact CB-CE 4.39Å; L107-M153 HydrophobicContact CD1-CE 4.09Å; L107-M153 HydrophobicContact CD2-CE 3.7Å; L107-M153 HydrophobicContact CG-CE 4.27Å; L107-Y156 HydrophobicContact CB-CD2 3.97Å; L107-Y156 HydrophobicContact CB-CE2 3.9Å; L107-Y156 HydrophobicContact CD1-CE2 4.35Å |
| 108 | K | 85.2 | Confident | 79.7 | Confident | 72 Ų | 72 | 35.6 Ų | 35.6 | 31% | 0.313 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -54.2 | -49.5 | 172.5 | -75.3 | -176.9 | 176.9 | -166.1 | 0 | 111.8 | N104 T110 A111 K112 Y156 E262 | N104-K108 WeakPolarHBondContact O-CG 3.47Å; N104-K108 PolarHBondContact O-N 2.92Å; K108-T110 VanDerWaalsContact C-N 3.35Å; K108-T110 PolarHBondContact O-N 2.65Å; K108-A111 PolarHBondContact O-N 3.45Å; K108-K112 PolarHBondContact O-N 3.07Å; K108-Y156 HydrophobicContact CD-CD1 4.42Å; K108-Y156 HydrophobicContact CD-CE1 4.07Å; K108-Y156 HydrophobicContact CG-CD1 3.58Å; K108-Y156 HydrophobicContact CG-CD2 4.45Å; K108-Y156 HydrophobicContact CG-CE1 3.52Å; K108-Y156 HydrophobicContact CG-CE2 4.42Å; K108-Y156 HydrophobicContact CG-CG 4.08Å; K108-E262 WeakPolarHBondContact CE-OE1 3.33Å; K108-E262 IonicContact NZ-OE1 2.9Å; K108-E262 PolarHBondContact NZ-OE1 3.29Å; K108-E262 IonicContact NZ-OE2 3.49Å |
| 109 | K | 86.2 | Confident | 80.2 | Confident | 47 Ų | 47 | 33.9 Ų | 33.9 | 20% | 0.204 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -60.7 | -45.9 | 179.1 | -174.3 | 162 | -171.9 | 162.8 | 0 | 111.2 | L62 L65 E69 F105 L106 L107 A111 K112 L113 | L62-K109 HydrophobicContact CD1-CD 3.67Å; L65-K109 HydrophobicContact CB-CD 4.02Å; L65-K109 HydrophobicContact CB-CG 4.28Å; L65-K109 HydrophobicContact CD1-CB 4.31Å; L65-K109 HydrophobicContact CD1-CD 4.45Å; L65-K109 HydrophobicContact CD1-CG 4.28Å; E69-K109 WeakPolarHBondContact OE2-CE 3.27Å; E69-K109 IonicContact OE2-NZ 3.41Å; E69-K109 PolarHBondContact OE2-NZ 3.48Å; F105-K109 PolarHBondContact O-N 3.16Å; L106-K109 PolarHBondContact O-N 2.76Å; L107-K109 PolarHBondContact O-N 2.97Å; K109-A111 PolarHBondContact O-N 3.45Å; K109-K112 WeakPolarHBondContact O-CB 3.24Å; K109-K112 PolarHBondContact O-N 3.02Å; K109-L113 WeakPolarHBondContact O-CG 3.49Å; K109-L113 PolarHBondContact O-N 3.32Å |
| 110 | T | 86.1 | Confident | 81.2 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -66 | -38.7 | -179.9 | -50.1 | 0 | 0 | 0 | 0 | 112 | L65 L91 Y94 L95 L106 L107 K108 K112 L113 L114 | L65-T110 WeakPolarHBondContact CD1-OG1 3.48Å; L65-T110 HydrophobicContact CD2-CG2 4.39Å; L91-T110 HydrophobicContact CD2-CG2 3.77Å; Y94-T110 HydrophobicContact CD1-CG2 3.83Å; Y94-T110 HydrophobicContact CE1-CG2 4.39Å; L95-T110 HydrophobicContact CD1-CG2 4.46Å; L95-T110 VanDerWaalsContact CD2-CB 3.4Å; L95-T110 HydrophobicContact CD2-CG2 3.44Å; L95-T110 VanDerWaalsContact CD2-CG2 3.44Å; L95-T110 HydrophobicContact CG-CG2 3.74Å; L106-T110 WeakPolarHBondContact O-CB 3.27Å; L106-T110 PolarHBondContact O-N 2.92Å; L106-T110 PolarHBondContact O-OG1 2.71Å; L107-T110 PolarHBondContact O-N 3.35Å; K108-T110 VanDerWaalsContact C-N 3.35Å; K108-T110 PolarHBondContact O-N 2.65Å; T110-K112 VanDerWaalsContact C-N 3.33Å; T110-K112 PolarHBondContact O-N 2.9Å; T110-L113 PolarHBondContact O-N 3.36Å; T110-L114 PolarHBondContact O-N 2.96Å |
| 111 | A | 87.7 | Confident | 82.3 | Confident | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -61 | -40.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | L107 K108 K109 L114 S115 | L107-A111 WeakPolarHBondContact O-CB 3.1Å; L107-A111 PolarHBondContact O-N 3.42Å; K108-A111 PolarHBondContact O-N 3.45Å; K109-A111 PolarHBondContact O-N 3.45Å; A111-L114 PolarHBondContact O-N 2.85Å; A111-S115 PolarHBondContact O-N 3.15Å; A111-S115 PolarHBondContact O-OG 3.14Å |
| 112 | K | 90.2 | Very high | 83.1 | Confident | 79 Ų | 79 | 26.4 Ų | 26.4 | 34% | 0.343 | 12% | 0.122 | S | C | . | . | H | α-helix | trans | -60.8 | -42.2 | 172 | -173.4 | -168.6 | 177.2 | -154.1 | 0 | 112.7 | E69 K108 K109 T110 L114 S115 L116 | E69-K112 IonicContact OE1-NZ 2.8Å; E69-K112 PolarHBondContact OE1-NZ 2.81Å; K108-K112 PolarHBondContact O-N 3.07Å; K109-K112 WeakPolarHBondContact O-CB 3.24Å; K109-K112 PolarHBondContact O-N 3.02Å; T110-K112 VanDerWaalsContact C-N 3.33Å; T110-K112 PolarHBondContact O-N 2.9Å; K112-L114 VanDerWaalsContact C-N 3.33Å; K112-L114 PolarHBondContact O-N 3.37Å; K112-S115 WeakPolarHBondContact CA-OG 3.29Å; K112-S115 PolarHBondContact O-N 3.41Å; K112-S115 PolarHBondContact O-OG 3.1Å; K112-L116 HydrophobicContact CG-CD1 4.31Å; K112-L116 WeakPolarHBondContact O-CB 3.47Å; K112-L116 VanDerWaalsContact O-CG 3.25Å; K112-L116 WeakPolarHBondContact O-CG 3.46Å; K112-L116 PolarHBondContact O-N 2.93Å |
| 113 | L | 88.9 | Confident | 83.3 | Confident | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -63.3 | -43.2 | 175.6 | -58.8 | -177.6 | 0 | 0 | 0 | 111 | L65 I68 E69 I72 L91 K109 T110 S115 L116 T117 | L65-L113 HydrophobicContact CB-CD1 4.03Å; L65-L113 HydrophobicContact CD2-CD1 3.7Å; L65-L113 HydrophobicContact CG-CD1 4.45Å; L65-L113 VanDerWaalsContact O-CD1 3.31Å; L65-L113 WeakPolarHBondContact O-CD1 3.28Å; I68-L113 HydrophobicContact CB-CD1 4.08Å; I68-L113 HydrophobicContact CG2-CD1 3.83Å; E69-L113 HydrophobicContact CB-CD2 3.44Å; E69-L113 VanDerWaalsContact CB-CD2 3.44Å; E69-L113 HydrophobicContact CG-CD2 3.53Å; I72-L113 HydrophobicContact CD1-CB 4.07Å; L91-L113 HydrophobicContact CD1-CB 4.11Å; L91-L113 HydrophobicContact CD2-CB 4.37Å; L91-L113 HydrophobicContact CD2-CD1 4.38Å; K109-L113 WeakPolarHBondContact O-CG 3.49Å; K109-L113 PolarHBondContact O-N 3.32Å; T110-L113 PolarHBondContact O-N 3.36Å; L113-S115 PolarHBondContact O-N 3.1Å; L113-L116 HydrophobicContact CD2-CD1 4.37Å; L113-L116 WeakPolarHBondContact O-CB 3.31Å; L113-L116 PolarHBondContact O-N 3.32Å; L113-T117 WeakPolarHBondContact O-CG2 3.11Å; L113-T117 PolarHBondContact O-N 2.91Å |
| 114 | L | 88.1 | Confident | 83.6 | Confident | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -62.4 | -43.5 | 177.3 | -170.2 | 66.6 | 0 | 0 | 0 | 111.4 | L91 K92 L95 T110 A111 K112 L116 T117 A118 Y129 F132 | L91-L114 HydrophobicContact CB-CD1 4.12Å; K92-L114 HydrophobicContact CG-CD1 4.19Å; K92-L114 HydrophobicContact CG-CD2 4.3Å; L95-L114 HydrophobicContact CD1-CD2 3.9Å; T110-L114 PolarHBondContact O-N 2.96Å; A111-L114 PolarHBondContact O-N 2.85Å; K112-L114 VanDerWaalsContact C-N 3.33Å; K112-L114 PolarHBondContact O-N 3.37Å; L114-L116 VanDerWaalsContact C-N 3.34Å; L114-L116 PolarHBondContact O-N 2.61Å; L114-T117 PolarHBondContact O-N 3.13Å; L114-T117 PolarHBondContact O-OG1 2.83Å; L114-A118 PolarHBondContact O-N 3.47Å; L114-A118 VanDerWaalsContact O-N 3.15Å; L114-Y129 HydrophobicContact CD2-CE2 4.04Å; L114-Y129 HydrophobicContact CG-CE2 3.89Å; L114-F132 HydrophobicContact CD2-CD1 4.45Å; L114-F132 HydrophobicContact CD2-CE1 3.8Å; L114-F132 HydrophobicContact CD2-CZ 4.32Å |
| 115 | S | 88.1 | Confident | 83.6 | Confident | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -65.7 | -35.1 | 175.5 | 64.3 | 0 | 0 | 0 | 0 | 112.8 | A111 K112 L113 A118 C119 Y129 S160 S164 | A111-S115 PolarHBondContact O-N 3.15Å; A111-S115 PolarHBondContact O-OG 3.14Å; K112-S115 WeakPolarHBondContact CA-OG 3.29Å; K112-S115 PolarHBondContact O-N 3.41Å; K112-S115 PolarHBondContact O-OG 3.1Å; L113-S115 PolarHBondContact O-N 3.1Å; S115-A118 CarbonylContact O-C 3.6Å; S115-A118 WeakPolarHBondContact O-CB 3.38Å; S115-A118 PolarHBondContact O-N 2.84Å; S115-C119 PolarHBondContact O-N 3.16Å; S115-Y129 WeakPolarHBondContact CA-OH 3.42Å; S115-S160 VanDerWaalsContact OG-CB 3.26Å; S115-S160 WeakPolarHBondContact OG-CB 3.03Å; S115-S160 PolarHBondContact OG-O 3.42Å; S115-S164 PolarHBondContact OG-OG 3.13Å |
| 116 | L | 87.3 | Confident | 83.5 | Confident | 10 Ų | 10 | 27.2 Ų | 27.2 | 5% | 0.052 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -62.7 | -42.3 | 173.2 | -75.6 | 169.1 | 0 | 0 | 0 | 111.6 | E69 I72 K112 L113 L114 A118 C119 F120 | E69-L116 HydrophobicContact CG-CD1 4.32Å; I72-L116 HydrophobicContact CG2-CB 3.96Å; K112-L116 HydrophobicContact CG-CD1 4.31Å; K112-L116 WeakPolarHBondContact O-CB 3.47Å; K112-L116 VanDerWaalsContact O-CG 3.25Å; K112-L116 WeakPolarHBondContact O-CG 3.46Å; K112-L116 PolarHBondContact O-N 2.93Å; L113-L116 HydrophobicContact CD2-CD1 4.37Å; L113-L116 WeakPolarHBondContact O-CB 3.31Å; L113-L116 PolarHBondContact O-N 3.32Å; L114-L116 VanDerWaalsContact C-N 3.34Å; L114-L116 PolarHBondContact O-N 2.61Å; L116-A118 VanDerWaalsContact C-N 3.26Å; L116-A118 PolarHBondContact O-N 3.06Å; L116-C119 VanDerWaalsContact O-CB 3.27Å; L116-C119 WeakPolarHBondContact O-CB 3.43Å; L116-C119 PolarHBondContact O-N 2.93Å; L116-C119 VanDerWaalsContact O-N 3.1Å; L116-F120 VanDerWaalsContact O-CD2 3.24Å; L116-F120 WeakPolarHBondContact O-CD2 3.45Å; L116-F120 PolarHBondContact O-N 3.41Å |
| 117 | T | 86.1 | Confident | 83.2 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -60.6 | -38.4 | 174 | 68.3 | 0 | 0 | 0 | 0 | 112 | I72 W76 L91 L113 L114 C119 F120 D121 | I72-T117 HydrophobicContact CD1-CG2 3.64Å; I72-T117 HydrophobicContact CG1-CG2 4.02Å; I72-T117 HydrophobicContact CG2-CG2 4.25Å; W76-T117 HydrophobicContact CE3-CG2 4.47Å; W76-T117 HydrophobicContact CH2-CG2 3.3Å; W76-T117 HydrophobicContact CZ2-CG2 3.74Å; W76-T117 HydrophobicContact CZ3-CG2 3.73Å; L91-T117 HydrophobicContact CD1-CG2 4.33Å; L113-T117 WeakPolarHBondContact O-CG2 3.11Å; L113-T117 PolarHBondContact O-N 2.91Å; L114-T117 PolarHBondContact O-N 3.13Å; L114-T117 PolarHBondContact O-OG1 2.83Å; T117-C119 VanDerWaalsContact C-N 3.34Å; T117-F120 PolarHBondContact O-N 2.84Å; T117-D121 PolarHBondContact O-N 2.76Å |
| 118 | A | 85.6 | Confident | 83.1 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -68.2 | -33.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | L114 S115 L116 F120 D121 W122 Y126 Y129 F165 | L114-A118 PolarHBondContact O-N 3.47Å; L114-A118 VanDerWaalsContact O-N 3.15Å; S115-A118 CarbonylContact O-C 3.6Å; S115-A118 WeakPolarHBondContact O-CB 3.38Å; S115-A118 PolarHBondContact O-N 2.84Å; L116-A118 VanDerWaalsContact C-N 3.26Å; L116-A118 PolarHBondContact O-N 3.06Å; A118-F120 PolarHBondContact O-N 2.68Å; A118-D121 PolarHBondContact O-N 2.71Å; A118-W122 HydrophobicContact CB-CB 4.44Å; A118-W122 WeakPolarHBondContact O-CB 3.34Å; A118-W122 PolarHBondContact O-N 3.09Å; A118-Y126 HydrophobicContact CB-CD1 3.97Å; A118-Y126 HydrophobicContact CB-CE1 4.12Å; A118-Y129 HydrophobicContact CB-CD1 3.48Å; A118-Y129 VanDerWaalsContact CB-CD1 3.48Å; A118-Y129 HydrophobicContact CB-CD2 4.2Å; A118-Y129 HydrophobicContact CB-CE1 3.49Å; A118-Y129 VanDerWaalsContact CB-CE1 3.49Å; A118-Y129 HydrophobicContact CB-CE2 4.22Å; A118-Y129 HydrophobicContact CB-CG 3.84Å; A118-F165 HydrophobicContact CB-CE1 4.25Å; A118-F165 HydrophobicContact CB-CZ 3.99Å |
| 119 | C | 85.3 | Confident | 83 | Confident | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -58.8 | -37.1 | 178.5 | -164.6 | 0 | 0 | 0 | 0 | 112.2 | S115 L116 T117 F165 I172 | S115-C119 PolarHBondContact O-N 3.16Å; L116-C119 VanDerWaalsContact O-CB 3.27Å; L116-C119 WeakPolarHBondContact O-CB 3.43Å; L116-C119 PolarHBondContact O-N 2.93Å; L116-C119 VanDerWaalsContact O-N 3.1Å; T117-C119 VanDerWaalsContact C-N 3.34Å; C119-F165 HydrophobicContact CB-CD1 3.84Å; C119-F165 HydrophobicContact CB-CE1 3.64Å; C119-I172 HydrophobicContact CB-CD1 4.21Å; C119-I172 WeakPolarHBondContact SG-CD1 3.37Å |
| 120 | F | 83.8 | Confident | 82.8 | Confident | 43 Ų | 43 | 32.6 Ų | 32.6 | 19% | 0.189 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -78.8 | -39 | 177.3 | -71.3 | -73.9 | 0 | 0 | 0 | 113.8 | I72 W76 L116 T117 A118 P169 I172 | I72-F120 HydrophobicContact CG2-CD2 4.21Å; I72-F120 HydrophobicContact CG2-CE2 4.03Å; I72-F120 WeakPolarHBondContact O-CE2 3.47Å; W76-F120 VanDerWaalsContact CD1-CB 3.41Å; W76-F120 AromaticContact CD1-CD2 3.84Å; W76-F120 AromaticContact CD1-CG 3.63Å; W76-F120 HydrophobicContact CG-CB 4.49Å; W76-F120 HydrophobicContact CG-CD2 4.2Å; W76-F120 HydrophobicContact CG-CG 4.36Å; L116-F120 VanDerWaalsContact O-CD2 3.24Å; L116-F120 WeakPolarHBondContact O-CD2 3.45Å; L116-F120 PolarHBondContact O-N 3.41Å; T117-F120 PolarHBondContact O-N 2.84Å; A118-F120 PolarHBondContact O-N 2.68Å; F120-P169 HydrophobicContact CE2-CG 4.47Å; F120-P169 HydrophobicContact CZ-CG 4.01Å; F120-I172 HydrophobicContact CD1-CD1 3.89Å; F120-I172 HydrophobicContact CD1-CG1 3.86Å; F120-I172 HydrophobicContact CE1-CD1 3.74Å; F120-I172 HydrophobicContact CE1-CG1 3.44Å; F120-I172 VanDerWaalsContact CE1-CG1 3.44Å; F120-I172 HydrophobicContact CG-CD1 4.37Å; F120-I172 HydrophobicContact CZ-CD1 4.09Å; F120-I172 HydrophobicContact CZ-CG1 4.07Å |
| 121 | D | 83.4 | Confident | 82.6 | Confident | 11 Ų | 11 | 39.3 Ų | 39.3 | 6% | 0.059 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -109.9 | -13.2 | -163 | -67.2 | -28.4 | 0 | 0 | 0 | 114.7 | W76 K84 R88 T117 A118 Q125 Y126 | W76-D121 WeakPolarHBondContact CZ2-OD2 3.33Å; W76-D121 VanDerWaalsContact NE1-CG 3.25Å; W76-D121 PolarHBondContact NE1-OD1 3.19Å; W76-D121 PolarHBondContact NE1-OD2 2.91Å; K84-D121 IonicContact NZ-OD1 3.6Å; R88-D121 IonicContact CZ-OD2 3.44Å; R88-D121 IonicContact NE-OD2 3.67Å; R88-D121 VanDerWaalsContact NH2-CB 3.31Å; R88-D121 IonicContact NH2-OD2 2.57Å; R88-D121 PolarHBondContact NH2-OD2 3.46Å; T117-D121 PolarHBondContact O-N 2.76Å; A118-D121 PolarHBondContact O-N 2.71Å; D121-Q125 HydrophobicContact CB-CB 3.97Å; D121-Q125 WeakPolarHBondContact O-CA 3.33Å; D121-Q125 WeakPolarHBondContact O-CB 3.34Å; D121-Q125 PolarHBondContact O-N 3.47Å; D121-Q125 PolarHBondContact OD1-OE1 2.9Å; D121-Y126 PolarHBondContact O-N 3.38Å |
| 122 | W | 81.1 | Confident | 82.3 | Confident | 25 Ų | 25 | 40.2 Ų | 40.2 | 10% | 0.095 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84 | 143.7 | 179.5 | -168.7 | 90.2 | 0 | 0 | 0 | 111.4 | A118 Y126 M130 F165 K176 L180 F183 | A118-W122 HydrophobicContact CB-CB 4.44Å; A118-W122 WeakPolarHBondContact O-CB 3.34Å; A118-W122 PolarHBondContact O-N 3.09Å; W122-Y126 VanDerWaalsContact CD1-O 3.27Å; W122-M130 HydrophobicContact CZ2-CG 3.97Å; W122-F165 HydrophobicContact CE3-CE2 4.19Å; W122-K176 VanDerWaalsContact O-CE 3.31Å; W122-K176 WeakPolarHBondContact O-CE 3.46Å; W122-K176 PolarHBondContact O-NZ 3.01Å; W122-L180 HydrophobicContact CE3-CD2 3.82Å; W122-L180 HydrophobicContact CZ3-CD2 4.36Å; W122-F183 HydrophobicContact CH2-CB 3.56Å; W122-F183 AromaticContact CH2-CD1 3.83Å; W122-F183 HydrophobicContact CH2-CD1 3.83Å; W122-F183 HydrophobicContact CH2-CD2 4.18Å; W122-F183 AromaticContact CH2-CG 3.61Å; W122-F183 HydrophobicContact CH2-CG 3.61Å; W122-F183 HydrophobicContact CZ3-CB 3.41Å; W122-F183 VanDerWaalsContact CZ3-CB 3.41Å; W122-F183 HydrophobicContact CZ3-CD1 4.15Å; W122-F183 AromaticContact CZ3-CD2 3.64Å; W122-F183 HydrophobicContact CZ3-CD2 3.64Å; W122-F183 HydrophobicContact CZ3-CE2 4.42Å; W122-F183 AromaticContact CZ3-CG 3.49Å; W122-F183 HydrophobicContact CZ3-CG 3.49Å; W122-F183 VanDerWaalsContact CZ3-CG 3.49Å |
| 123 | P | 69.4 | Low | 82 | Confident | 22 Ų | 22 | 36.5 Ų | 36.5 | 14% | 0.143 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -85.7 | -26.4 | 1.4 | 31.5 | -32.9 | 0 | 0 | 0 | 115 | Q125 I127 F183 | P123-Q125 PolarHBondContact O-N 3.18Å; P123-I127 WeakPolarHBondContact O-CG1 3.25Å; P123-F183 HydrophobicContact CG-CE2 3.94Å; P123-F183 HydrophobicContact CG-CZ 4.01Å |
| 124 | D | 75.1 | Confident | 81.6 | Confident | 129 Ų | 129 | 39.3 Ų | 39.3 | 69% | 0.69 | 19% | 0.193 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | -38.8 | -163.3 | -57.2 | -35.6 | 0 | 0 | 0 | 114.8 | ||
| 125 | Q | 75.1 | Confident | 81.2 | Confident | 115 Ų | 115 | 42.2 Ų | 42.2 | 54% | 0.537 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.2 | 0.2 | -173.7 | -57.9 | -178.7 | 13.1 | 0 | 0 | 113 | R88 D121 P123 | R88-Q125 PolarHBondContact NH1-O 2.98Å; D121-Q125 HydrophobicContact CB-CB 3.97Å; D121-Q125 WeakPolarHBondContact O-CA 3.33Å; D121-Q125 WeakPolarHBondContact O-CB 3.34Å; D121-Q125 PolarHBondContact O-N 3.47Å; D121-Q125 PolarHBondContact OD1-OE1 2.9Å; P123-Q125 PolarHBondContact O-N 3.18Å |
| 126 | Y | 78.4 | Confident | 80.7 | Confident | 12 Ų | 12 | 43.8 Ų | 43.8 | 5% | 0.047 | 22% | 0.221 | C | C | . | . | trans | -148.7 | 56 | -178.4 | -164.1 | -168.7 | 0 | 0 | 0 | 113.3 | K92 A118 D121 W122 D128 Y129 | K92-Y126 WeakPolarHBondContact CE-OH 3.32Å; K92-Y126 PolarHBondContact NZ-OH 2.9Å; A118-Y126 HydrophobicContact CB-CD1 3.97Å; A118-Y126 HydrophobicContact CB-CE1 4.12Å; D121-Y126 PolarHBondContact O-N 3.38Å; W122-Y126 VanDerWaalsContact CD1-O 3.27Å; Y126-D128 VanDerWaalsContact C-N 3.32Å; Y126-D128 PolarHBondContact O-N 3.36Å; Y126-Y129 HydrophobicContact CD1-CD2 4.37Å; Y126-Y129 HydrophobicContact CD1-CG 4.19Å; Y126-Y129 AromaticContact CE1-CD2 3.53Å; Y126-Y129 HydrophobicContact CE1-CD2 3.53Å; Y126-Y129 HydrophobicContact CE1-CE2 4.38Å; Y126-Y129 AromaticContact CE1-CG 3.79Å; Y126-Y129 HydrophobicContact CE1-CG 3.79Å; Y126-Y129 AromaticContact CZ-CD2 3.63Å; Y126-Y129 PolarHBondContact O-N 3.13Å; Y126-Y129 WeakPolarHBondContact OH-CD2 3.48Å | ||
| 127 | I | 74.1 | Confident | 80 | Confident | 124 Ų | 124 | 43.7 Ų | 43.7 | 64% | 0.636 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58 | -42.6 | -173.9 | -57.5 | 167.9 | 0 | 0 | 0 | 111.8 | P123 Y129 | P123-I127 WeakPolarHBondContact O-CG1 3.25Å; I127-Y129 PolarHBondContact O-N 3.21Å; I127-Y129 VanDerWaalsContact O-N 3.09Å |
| 128 | D | 80.2 | Confident | 79 | Confident | 94 Ų | 94 | 49.4 Ų | 49.4 | 50% | 0.503 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71 | -5.1 | -173.4 | -45.6 | -15.3 | 0 | 0 | 0 | 114.7 | Y126 M130 E131 F132 | Y126-D128 VanDerWaalsContact C-N 3.32Å; Y126-D128 PolarHBondContact O-N 3.36Å; D128-M130 PolarHBondContact O-N 3.12Å; D128-E131 PolarHBondContact O-N 3.27Å; D128-F132 WeakPolarHBondContact O-CB 3.36Å; D128-F132 PolarHBondContact O-N 3.48Å |
| 129 | Y | 83.3 | Confident | 78 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -63.1 | -41.9 | -176.9 | -177.6 | -118.2 | 0 | 0 | 0 | 112.6 | L114 S115 A118 Y126 I127 F132 I133 M161 | L114-Y129 HydrophobicContact CD2-CE2 4.04Å; L114-Y129 HydrophobicContact CG-CE2 3.89Å; S115-Y129 WeakPolarHBondContact CA-OH 3.42Å; A118-Y129 HydrophobicContact CB-CD1 3.48Å; A118-Y129 VanDerWaalsContact CB-CD1 3.48Å; A118-Y129 HydrophobicContact CB-CD2 4.2Å; A118-Y129 HydrophobicContact CB-CE1 3.49Å; A118-Y129 VanDerWaalsContact CB-CE1 3.49Å; A118-Y129 HydrophobicContact CB-CE2 4.22Å; A118-Y129 HydrophobicContact CB-CG 3.84Å; Y126-Y129 HydrophobicContact CD1-CD2 4.37Å; Y126-Y129 HydrophobicContact CD1-CG 4.19Å; Y126-Y129 AromaticContact CE1-CD2 3.53Å; Y126-Y129 HydrophobicContact CE1-CD2 3.53Å; Y126-Y129 HydrophobicContact CE1-CE2 4.38Å; Y126-Y129 AromaticContact CE1-CG 3.79Å; Y126-Y129 HydrophobicContact CE1-CG 3.79Å; Y126-Y129 AromaticContact CZ-CD2 3.63Å; Y126-Y129 PolarHBondContact O-N 3.13Å; Y126-Y129 WeakPolarHBondContact OH-CD2 3.48Å; I127-Y129 PolarHBondContact O-N 3.21Å; I127-Y129 VanDerWaalsContact O-N 3.09Å; Y129-F132 WeakPolarHBondContact O-CB 3.28Å; Y129-F132 PolarHBondContact O-N 2.9Å; Y129-I133 HydrophobicContact CD1-CD1 3.99Å; Y129-I133 HydrophobicContact CE1-CD1 3.46Å; Y129-I133 VanDerWaalsContact CE1-CD1 3.46Å; Y129-I133 HydrophobicContact CE1-CG1 4.49Å; Y129-I133 HydrophobicContact CE2-CD1 4.15Å; Y129-I133 HydrophobicContact CE2-CG1 4.41Å; Y129-I133 WeakPolarHBondContact O-CG1 3.17Å; Y129-I133 PolarHBondContact O-N 3.06Å; Y129-M161 HydrophobicContact CD1-SD 4.43Å; Y129-M161 HydrophobicContact CE1-CB 4.34Å; Y129-M161 HydrophobicContact CE1-CG 4.03Å; Y129-M161 HydrophobicContact CE1-SD 3.8Å |
| 130 | M | 80.6 | Confident | 76.6 | Confident | 20 Ų | 20 | 58.4 Ų | 58.4 | 10% | 0.099 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -70 | -37.7 | 179.1 | -75 | -68.7 | -68.6 | 0 | 0 | 111.8 | W122 D128 F132 I133 K134 M161 E187 F191 | W122-M130 HydrophobicContact CZ2-CG 3.97Å; D128-M130 PolarHBondContact O-N 3.12Å; M130-F132 VanDerWaalsContact C-N 3.33Å; M130-I133 PolarHBondContact O-N 3.05Å; M130-K134 WeakPolarHBondContact O-CB 3.36Å; M130-K134 WeakPolarHBondContact O-CG 3.25Å; M130-K134 PolarHBondContact O-N 3.3Å; M130-M161 HydrophobicContact SD-CE 4.38Å; M130-M161 HydrophobicContact SD-SD 3.91Å; M130-E187 HydrophobicContact CE-CB 4.35Å; M130-E187 HydrophobicContact CE-CG 3.84Å; M130-E187 WeakPolarHBondContact CE-OE2 3.25Å; M130-F191 HydrophobicContact CE-CE1 4.47Å; M130-F191 HydrophobicContact CE-CE2 3.76Å; M130-F191 HydrophobicContact CE-CZ 3.37Å; M130-F191 HydrophobicContact SD-CZ 4.16Å |
| 131 | E | 81.9 | Confident | 75.3 | Confident | 141 Ų | 141 | 57 Ų | 57 | 66% | 0.659 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -64.9 | -40.4 | 175 | -168.9 | 177.5 | 175.7 | 0 | 0 | 110.9 | D128 K134 S135 | D128-E131 PolarHBondContact O-N 3.27Å; E131-K134 PolarHBondContact O-N 3.47Å; E131-S135 VanDerWaalsContact O-CB 3.24Å; E131-S135 WeakPolarHBondContact O-CB 3.42Å; E131-S135 PolarHBondContact O-N 2.89Å; E131-S135 PolarHBondContact O-OG 3.04Å |
| 132 | F | 83.4 | Confident | 73.8 | Confident | 20 Ų | 20 | 61.4 Ų | 61.4 | 9% | 0.088 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -56.8 | -52 | 172.4 | 172.3 | -95.4 | 0 | 0 | 0 | 111.8 | K92 L114 D128 Y129 M130 K134 S135 H136 | K92-F132 HydrophobicContact CB-CE2 4.47Å; K92-F132 HydrophobicContact CD-CD2 4.15Å; K92-F132 HydrophobicContact CD-CE2 4.11Å; K92-F132 HydrophobicContact CG-CE2 4.11Å; K92-F132 HydrophobicContact CG-CZ 4.27Å; L114-F132 HydrophobicContact CD2-CD1 4.45Å; L114-F132 HydrophobicContact CD2-CE1 3.8Å; L114-F132 HydrophobicContact CD2-CZ 4.32Å; D128-F132 WeakPolarHBondContact O-CB 3.36Å; D128-F132 PolarHBondContact O-N 3.48Å; Y129-F132 WeakPolarHBondContact O-CB 3.28Å; Y129-F132 PolarHBondContact O-N 2.9Å; M130-F132 VanDerWaalsContact C-N 3.33Å; F132-K134 PolarHBondContact O-N 3.48Å; F132-S135 PolarHBondContact O-N 2.92Å; F132-S135 PolarHBondContact O-OG 3.42Å; F132-H136 AromaticContact CD2-CD2 3.89Å; F132-H136 AromaticContact CD2-NE2 3.51Å; F132-H136 AromaticContact CE1-CD2 3.87Å; F132-H136 AromaticContact CE2-CD2 3.4Å; F132-H136 WeakPolarHBondContact CE2-CD2 2.96Å; F132-H136 AromaticContact CE2-NE2 2.96Å; F132-H136 WeakPolarHBondContact CE2-NE2 3.03Å; F132-H136 AromaticContact CZ-CD2 3.37Å; F132-H136 WeakPolarHBondContact CZ-CD2 3.42Å; F132-H136 AromaticContact CZ-NE2 3.43Å; F132-H136 WeakPolarHBondContact CZ-NE2 3.44Å; F132-H136 PolarHBondContact O-N 3.19Å; F132-H136 VanDerWaalsContact O-N 3.17Å |
| 133 | I | 82.4 | Confident | 72.8 | Confident | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -59.8 | -50 | 178.4 | -67.1 | 168.9 | 0 | 0 | 0 | 110.8 | Y129 M130 S135 H136 I137 C157 L158 M161 | Y129-I133 HydrophobicContact CD1-CD1 3.99Å; Y129-I133 HydrophobicContact CE1-CD1 3.46Å; Y129-I133 VanDerWaalsContact CE1-CD1 3.46Å; Y129-I133 HydrophobicContact CE1-CG1 4.49Å; Y129-I133 HydrophobicContact CE2-CD1 4.15Å; Y129-I133 HydrophobicContact CE2-CG1 4.41Å; Y129-I133 WeakPolarHBondContact O-CG1 3.17Å; Y129-I133 PolarHBondContact O-N 3.06Å; M130-I133 PolarHBondContact O-N 3.05Å; I133-S135 PolarHBondContact O-N 3.38Å; I133-H136 PolarHBondContact O-N 2.92Å; I133-I137 HydrophobicContact CG2-CD1 3.54Å; I133-I137 HydrophobicContact CG2-CG1 4.33Å; I133-I137 WeakPolarHBondContact O-CG1 3.49Å; I133-I137 PolarHBondContact O-N 2.96Å; I133-C157 HydrophobicContact CG1-CB 4.22Å; I133-L158 HydrophobicContact CG2-CB 4.15Å; I133-L158 HydrophobicContact CG2-CD1 3.86Å; I133-M161 HydrophobicContact CD1-SD 3.8Å |
| 134 | K | 80.2 | Confident | 72.7 | Confident | 60 Ų | 60 | 67.6 Ų | 67.6 | 26% | 0.261 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -58.4 | -47.7 | 179.7 | -73.4 | 177.6 | -178 | 177.7 | 0 | 110.4 | M130 E131 F132 H136 I137 F138 E187 | M130-K134 WeakPolarHBondContact O-CB 3.36Å; M130-K134 WeakPolarHBondContact O-CG 3.25Å; M130-K134 PolarHBondContact O-N 3.3Å; E131-K134 PolarHBondContact O-N 3.47Å; F132-K134 PolarHBondContact O-N 3.48Å; K134-H136 PolarHBondContact O-N 2.9Å; K134-I137 PolarHBondContact O-N 3.08Å; K134-F138 HydrophobicContact CB-CD2 4.12Å; K134-F138 HydrophobicContact CB-CE2 4.36Å; K134-F138 VanDerWaalsContact O-CB 3.31Å; K134-F138 WeakPolarHBondContact O-CB 3.46Å; K134-F138 VanDerWaalsContact O-CD2 3.24Å; K134-F138 WeakPolarHBondContact O-CD2 3.22Å; K134-F138 PolarHBondContact O-N 2.95Å; K134-E187 IonicContact NZ-OE2 2.79Å; K134-E187 PolarHBondContact NZ-OE2 3.26Å |
| 135 | S | 79.8 | Confident | 72.4 | Confident | 61 Ų | 61 | 64.8 Ų | 64.8 | 43% | 0.427 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -60 | -30.8 | -179.3 | 75.6 | 0 | 0 | 0 | 0 | 114.1 | E131 F132 I133 | E131-S135 VanDerWaalsContact O-CB 3.24Å; E131-S135 WeakPolarHBondContact O-CB 3.42Å; E131-S135 PolarHBondContact O-N 2.89Å; E131-S135 PolarHBondContact O-OG 3.04Å; F132-S135 PolarHBondContact O-N 2.92Å; F132-S135 PolarHBondContact O-OG 3.42Å; I133-S135 PolarHBondContact O-N 3.38Å |
| 136 | H | 77.5 | Confident | 72.3 | Confident | 33 Ų | 33 | 62.5 Ų | 62.5 | 15% | 0.153 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -87.4 | -25.8 | 179.8 | -69.8 | -8.3 | 0 | 0 | 0 | 113.2 | N96 F132 I133 K134 S151 | N96-H136 PolarHBondContact OD1-NE2 3.07Å; F132-H136 AromaticContact CD2-CD2 3.89Å; F132-H136 AromaticContact CD2-NE2 3.51Å; F132-H136 AromaticContact CE1-CD2 3.87Å; F132-H136 AromaticContact CE2-CD2 3.4Å; F132-H136 WeakPolarHBondContact CE2-CD2 2.96Å; F132-H136 AromaticContact CE2-NE2 2.96Å; F132-H136 WeakPolarHBondContact CE2-NE2 3.03Å; F132-H136 AromaticContact CZ-CD2 3.37Å; F132-H136 WeakPolarHBondContact CZ-CD2 3.42Å; F132-H136 AromaticContact CZ-NE2 3.43Å; F132-H136 WeakPolarHBondContact CZ-NE2 3.44Å; F132-H136 PolarHBondContact O-N 3.19Å; F132-H136 VanDerWaalsContact O-N 3.17Å; I133-H136 PolarHBondContact O-N 2.92Å; K134-H136 PolarHBondContact O-N 2.9Å; H136-S151 WeakPolarHBondContact O-CA 3.32Å |
| 137 | I | 73.9 | Confident | 72.2 | Confident | 7 Ų | 7 | 63.5 Ų | 63.5 | 4% | 0.036 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -76.8 | -37.8 | 172 | -65 | 172.7 | 0 | 0 | 0 | 110.9 | I133 K134 I139 W155 L158 | I133-I137 HydrophobicContact CG2-CD1 3.54Å; I133-I137 HydrophobicContact CG2-CG1 4.33Å; I133-I137 WeakPolarHBondContact O-CG1 3.49Å; I133-I137 PolarHBondContact O-N 2.96Å; K134-I137 PolarHBondContact O-N 3.08Å; I137-I139 VanDerWaalsContact C-N 3.31Å; I137-I139 PolarHBondContact O-N 3.32Å; I137-W155 HydrophobicContact CD1-CE3 4.31Å; I137-W155 HydrophobicContact CD1-CH2 4.37Å; I137-W155 HydrophobicContact CD1-CZ3 4.18Å; I137-W155 HydrophobicContact CG2-CH2 3.92Å; I137-W155 HydrophobicContact CG2-CZ2 3.63Å; I137-L158 HydrophobicContact CD1-CB 4.32Å; I137-L158 HydrophobicContact CD1-CD2 3.97Å |
| 138 | F | 65.1 | Low | 72.3 | Confident | 120 Ų | 120 | 57.8 Ų | 57.8 | 53% | 0.526 | 32% | 0.316 | S | S | . | . | trans | -81.5 | 17.1 | -173.5 | -88.5 | -70.7 | 0 | 0 | 0 | 116.5 | K134 D140 L194 | K134-F138 HydrophobicContact CB-CD2 4.12Å; K134-F138 HydrophobicContact CB-CE2 4.36Å; K134-F138 VanDerWaalsContact O-CB 3.31Å; K134-F138 WeakPolarHBondContact O-CB 3.46Å; K134-F138 VanDerWaalsContact O-CD2 3.24Å; K134-F138 WeakPolarHBondContact O-CD2 3.22Å; K134-F138 PolarHBondContact O-N 2.95Å; F138-D140 PolarHBondContact O-N 2.91Å; F138-L194 HydrophobicContact CE1-CD2 3.57Å; F138-L194 HydrophobicContact CE2-CD1 3.84Å; F138-L194 HydrophobicContact CE2-CD2 3.63Å; F138-L194 HydrophobicContact CE2-CG 4.39Å; F138-L194 HydrophobicContact CZ-CD1 4.16Å; F138-L194 HydrophobicContact CZ-CD2 3.04Å; F138-L194 HydrophobicContact CZ-CG 4.21Å | ||
| 139 | I | 64 | Low | 72.2 | Confident | 50 Ų | 50 | 55.6 Ų | 55.6 | 26% | 0.256 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -70.2 | 122.9 | 176.4 | -59.3 | 167.8 | 0 | 0 | 0 | 107.4 | I137 S141 D147 T150 | I137-I139 VanDerWaalsContact C-N 3.31Å; I137-I139 PolarHBondContact O-N 3.32Å; I139-S141 VanDerWaalsContact C-N 3.34Å; I139-S141 WeakPolarHBondContact O-CA 3.48Å; I139-S141 PolarHBondContact O-N 3.38Å; I139-D147 HydrophobicContact CG2-CB 3.65Å; I139-T150 HydrophobicContact CD1-CG2 4.41Å; I139-T150 WeakPolarHBondContact CD1-OG1 3.34Å |
| 140 | D | 55.7 | Low | 72.1 | Confident | 140 Ų | 140 | 57.5 Ų | 57.5 | 75% | 0.749 | 31% | 0.314 | S | S | * | . | trans | -46.1 | 95.8 | 179.2 | -80.7 | -28.7 | 0 | 0 | 0 | 109.9 | F138 S142 | F138-D140 PolarHBondContact O-N 2.91Å; D140-S142 PolarHBondContact O-N 2.9Å | ||
| 141 | S | 56 | Low | 72 | Confident | 13 Ų | 13 | 56.6 Ų | 56.6 | 9% | 0.091 | 31% | 0.31 | C | S | . | . | trans | -79.7 | 30.9 | -159.2 | 61.4 | 0 | 0 | 0 | 0 | 113 | I139 S143 N201 | I139-S141 VanDerWaalsContact C-N 3.34Å; I139-S141 WeakPolarHBondContact O-CA 3.48Å; I139-S141 PolarHBondContact O-N 3.38Å; S141-S143 PolarHBondContact O-N 3.43Å; S141-N201 WeakPolarHBondContact OG-CB 3.25Å | ||
| 142 | S | 53.6 | Low | 72.1 | Confident | 104 Ų | 104 | 50.3 Ų | 50.3 | 73% | 0.727 | 28% | 0.28 | S | S | * | . | S | Bend | trans | -84.9 | -1.8 | -159.2 | 64.3 | 0 | 0 | 0 | 0 | 115.7 | D140 | D140-S142 PolarHBondContact O-N 2.9Š|
| 143 | S | 58.3 | Low | 72.1 | Confident | 89 Ų | 89 | 49.5 Ų | 49.5 | 62% | 0.622 | 28% | 0.277 | S | S | * | . | S | Bend | trans | 173.6 | -21 | 160.7 | 39 | 0 | 0 | 0 | 0 | 116.3 | S141 L145 | S141-S143 PolarHBondContact O-N 3.43Å; S143-L145 PolarHBondContact O-N 3.49Å |
| 144 | N | 68 | Low | 72.2 | Confident | 87 Ų | 87 | 49.5 Ų | 49.5 | 47% | 0.465 | 28% | 0.277 | S | S | . | . | trans | -74.3 | 132.9 | -168.6 | -57.9 | -40.1 | 0 | 0 | 0 | 112.1 | T146 D147 I148 | N144-T146 PolarHBondContact O-N 3.3Å; N144-D147 HydrophobicContact CB-CB 4.21Å; N144-D147 WeakPolarHBondContact CB-OD2 3.28Å; N144-D147 PolarHBondContact ND2-OD2 2.97Å; N144-D147 PolarHBondContact O-N 3.28Å; N144-I148 PolarHBondContact O-N 3.15Å; N144-I148 VanDerWaalsContact O-N 3.15Å | ||
| 145 | L | 69.7 | Low | 72.5 | Confident | 70 Ų | 70 | 46.7 Ų | 46.7 | 37% | 0.366 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -57 | -33.9 | 176.1 | -179.3 | 64.6 | 0 | 0 | 0 | 112.8 | S143 D147 K149 N252 T255 | S143-L145 PolarHBondContact O-N 3.49Å; L145-D147 VanDerWaalsContact C-N 3.34Å; L145-K149 PolarHBondContact O-N 2.94Å; L145-K149 VanDerWaalsContact O-N 3.12Å; L145-N252 HydrophobicContact CD1-CB 4.19Å; L145-T255 HydrophobicContact CD1-CG2 4.03Å; L145-T255 WeakPolarHBondContact CD1-OG1 3.37Å |
| 146 | T | 72.6 | Confident | 72.8 | Confident | 67 Ų | 67 | 44 Ų | 44 | 41% | 0.411 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -61.9 | -44.6 | 176 | 49 | 0 | 0 | 0 | 0 | 111.2 | L100 N144 K149 T150 | L100-T146 HydrophobicContact CD2-CG2 4.17Å; N144-T146 PolarHBondContact O-N 3.3Å; T146-K149 PolarHBondContact O-N 3.36Å; T146-T150 PolarHBondContact O-N 3.44Å; T146-T150 PolarHBondContact O-OG1 3.18Å; T146-T150 VanDerWaalsContact O-OG1 3.05Å |
| 147 | D | 75.9 | Confident | 73.3 | Confident | 34 Ų | 34 | 42.4 Ų | 42.4 | 18% | 0.182 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -71.2 | -37.6 | -173.1 | -58.7 | -5.4 | 0 | 0 | 0 | 110.1 | I139 N144 L145 T150 S151 | I139-D147 HydrophobicContact CG2-CB 3.65Å; N144-D147 HydrophobicContact CB-CB 4.21Å; N144-D147 WeakPolarHBondContact CB-OD2 3.28Å; N144-D147 PolarHBondContact ND2-OD2 2.97Å; N144-D147 PolarHBondContact O-N 3.28Å; L145-D147 VanDerWaalsContact C-N 3.34Å; D147-T150 VanDerWaalsContact C-OG1 3.28Å; D147-T150 WeakPolarHBondContact CA-OG1 3.29Å; D147-T150 PolarHBondContact O-N 3.21Å; D147-T150 PolarHBondContact O-OG1 2.85Å; D147-S151 WeakPolarHBondContact O-CB 3.31Å; D147-S151 PolarHBondContact O-N 2.92Å |
| 148 | I | 75.5 | Confident | 73.9 | Confident | 4 Ų | 4 | 42 Ų | 42 | 2% | 0.021 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -63.3 | -44.7 | 173 | -64.8 | 163.7 | 0 | 0 | 0 | 110.8 | N144 S151 L152 K256 T259 | N144-I148 PolarHBondContact O-N 3.15Å; N144-I148 VanDerWaalsContact O-N 3.15Å; I148-S151 PolarHBondContact O-N 3.23Å; I148-L152 PolarHBondContact O-N 3.5Å; I148-K256 HydrophobicContact CD1-CD 4.39Å; I148-K256 HydrophobicContact CD1-CG 3.96Å; I148-K256 HydrophobicContact CG2-CG 4.4Å; I148-T259 HydrophobicContact CG2-CG2 3.46Å; I148-T259 VanDerWaalsContact CG2-CG2 3.46Å |
| 149 | K | 78 | Confident | 75.1 | Confident | 47 Ų | 47 | 37.8 Ų | 37.8 | 20% | 0.204 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -66.5 | -39.6 | 177.6 | -78.3 | -173.5 | 172.4 | -176.5 | 0 | 112.1 | C99 L100 L145 T146 S151 L152 M153 T255 | C99-K149 PolarHBondContact SG-O 2.83Å; L100-K149 HydrophobicContact CD2-CB 4.26Å; L100-K149 HydrophobicContact CD2-CD 3.76Å; L100-K149 PolarHBondContact O-NZ 2.82Å; L145-K149 PolarHBondContact O-N 2.94Å; L145-K149 VanDerWaalsContact O-N 3.12Å; T146-K149 PolarHBondContact O-N 3.36Å; K149-S151 VanDerWaalsContact C-N 3.31Å; K149-L152 WeakPolarHBondContact O-CB 3.22Å; K149-L152 PolarHBondContact O-N 3.4Å; K149-M153 PolarHBondContact O-N 3.42Å; K149-M153 VanDerWaalsContact O-N 3.08Å; K149-T255 HydrophobicContact CG-CG2 4.26Å |
| 150 | T | 81.1 | Confident | 76.2 | Confident | 41 Ų | 41 | 35.9 Ų | 35.9 | 25% | 0.252 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -66.5 | -34.7 | 174.5 | 44.7 | 0 | 0 | 0 | 0 | 112.2 | I139 T146 D147 M153 G154 | I139-T150 HydrophobicContact CD1-CG2 4.41Å; I139-T150 WeakPolarHBondContact CD1-OG1 3.34Å; T146-T150 PolarHBondContact O-N 3.44Å; T146-T150 PolarHBondContact O-OG1 3.18Å; T146-T150 VanDerWaalsContact O-OG1 3.05Å; D147-T150 VanDerWaalsContact C-OG1 3.28Å; D147-T150 WeakPolarHBondContact CA-OG1 3.29Å; D147-T150 PolarHBondContact O-N 3.21Å; D147-T150 PolarHBondContact O-OG1 2.85Å; T150-M153 WeakPolarHBondContact O-CB 3.38Å; T150-M153 PolarHBondContact O-N 3.49Å; T150-G154 PolarHBondContact O-N 2.91Å; T150-G154 VanDerWaalsContact O-N 3.11Å |
| 151 | S | 80.3 | Confident | 77.7 | Confident | 1 Ų | 1 | 29.2 Ų | 29.2 | 1% | 0.007 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -66.3 | -43.6 | 172.4 | -174.1 | 0 | 0 | 0 | 0 | 111.7 | H136 D147 I148 K149 M153 G154 W155 F198 | H136-S151 WeakPolarHBondContact O-CA 3.32Å; D147-S151 WeakPolarHBondContact O-CB 3.31Å; D147-S151 PolarHBondContact O-N 2.92Å; I148-S151 PolarHBondContact O-N 3.23Å; K149-S151 VanDerWaalsContact C-N 3.31Å; S151-M153 PolarHBondContact O-N 3.05Å; S151-G154 CarbonylContact O-C 3.59Å; S151-G154 WeakPolarHBondContact O-CA 3.17Å; S151-G154 PolarHBondContact O-N 3.35Å; S151-W155 PolarHBondContact O-N 3.46Å; S151-W155 PolarHBondContact OG-NE1 3.41Å; S151-F198 WeakPolarHBondContact OG-CE2 3.48Å; S151-F198 WeakPolarHBondContact OG-CZ 3.13Å |
| 152 | L | 82.7 | Confident | 79.2 | Confident | 8 Ų | 8 | 28.6 Ų | 28.6 | 4% | 0.042 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -52.5 | -43.3 | 172.8 | -178.7 | 62.4 | 0 | 0 | 0 | 111.9 | I148 K149 W155 Y156 T259 E262 | I148-L152 PolarHBondContact O-N 3.5Å; K149-L152 WeakPolarHBondContact O-CB 3.22Å; K149-L152 PolarHBondContact O-N 3.4Å; L152-W155 PolarHBondContact O-N 2.95Å; L152-Y156 HydrophobicContact CD1-CE1 4.04Å; L152-Y156 HydrophobicContact CD1-CE2 4.27Å; L152-Y156 HydrophobicContact CD2-CE2 4.18Å; L152-Y156 HydrophobicContact CG-CD2 4.45Å; L152-Y156 HydrophobicContact CG-CE1 4.41Å; L152-Y156 HydrophobicContact CG-CE2 3.75Å; L152-Y156 PolarHBondContact O-N 3.28Å; L152-T259 HydrophobicContact CB-CG2 3.66Å; L152-T259 HydrophobicContact CD1-CG2 3.98Å; L152-T259 HydrophobicContact CD2-CG2 4.46Å; L152-T259 HydrophobicContact CG-CG2 4.23Å; L152-E262 HydrophobicContact CD1-CB 4.15Å; L152-E262 HydrophobicContact CD1-CG 3.75Å |
| 153 | M | 83.6 | Confident | 80.8 | Confident | 3 Ų | 3 | 27.1 Ų | 27.1 | 2% | 0.015 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -60.3 | -45.1 | 174 | -178.5 | 69.3 | 78.1 | 0 | 0 | 112.5 | L95 C99 L107 K149 T150 S151 W155 Y156 C157 | L95-M153 HydrophobicContact CB-CE 3.72Å; L95-M153 HydrophobicContact CB-CG 4.42Å; L95-M153 HydrophobicContact CB-SD 3.82Å; L95-M153 HydrophobicContact CD1-SD 4.02Å; L95-M153 HydrophobicContact CD2-CE 3.82Å; L95-M153 HydrophobicContact CD2-SD 3.5Å; L95-M153 WeakPolarHBondContact CD2-SD 3.49Å; L95-M153 HydrophobicContact CG-CE 4.31Å; L95-M153 HydrophobicContact CG-SD 3.95Å; L95-M153 WeakPolarHBondContact O-CE 3.41Å; C99-M153 HydrophobicContact CB-CE 3.75Å; L107-M153 HydrophobicContact CB-CE 4.39Å; L107-M153 HydrophobicContact CD1-CE 4.09Å; L107-M153 HydrophobicContact CD2-CE 3.7Å; L107-M153 HydrophobicContact CG-CE 4.27Å; K149-M153 PolarHBondContact O-N 3.42Å; K149-M153 VanDerWaalsContact O-N 3.08Å; T150-M153 WeakPolarHBondContact O-CB 3.38Å; T150-M153 PolarHBondContact O-N 3.49Å; S151-M153 PolarHBondContact O-N 3.05Å; M153-W155 VanDerWaalsContact C-N 3.29Å; M153-W155 PolarHBondContact O-N 3.18Å; M153-Y156 PolarHBondContact O-N 2.93Å; M153-Y156 HydrophobicContact SD-CD2 4.49Å; M153-C157 PolarHBondContact O-N 3.44Å; M153-C157 VanDerWaalsContact O-N 3.12Å; M153-C157 PolarHBondContact O-SG 2.92Å; M153-C157 VanDerWaalsContact O-SG 3.32Å |
| 154 | G | 85.7 | Confident | 82.1 | Confident | 1 Ų | 1 | 23.2 Ų | 23.2 | 1% | 0.01 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -56.5 | -43.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | T150 S151 C157 L158 | T150-G154 PolarHBondContact O-N 2.91Å; T150-G154 VanDerWaalsContact O-N 3.11Å; S151-G154 CarbonylContact O-C 3.59Å; S151-G154 WeakPolarHBondContact O-CA 3.17Å; S151-G154 PolarHBondContact O-N 3.35Å; G154-C157 PolarHBondContact O-N 2.92Å; G154-L158 PolarHBondContact O-N 2.89Å |
| 155 | W | 86.2 | Confident | 82.9 | Confident | 1 Ų | 1 | 19.2 Ų | 19.2 | 0% | 0.004 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -64.6 | -40.9 | 176.3 | -67 | 116.4 | 0 | 0 | 0 | 113.1 | I137 S151 L152 M153 C157 L158 K159 L195 F198 E262 C266 | I137-W155 HydrophobicContact CD1-CE3 4.31Å; I137-W155 HydrophobicContact CD1-CH2 4.37Å; I137-W155 HydrophobicContact CD1-CZ3 4.18Å; I137-W155 HydrophobicContact CG2-CH2 3.92Å; I137-W155 HydrophobicContact CG2-CZ2 3.63Å; S151-W155 PolarHBondContact O-N 3.46Å; S151-W155 PolarHBondContact OG-NE1 3.41Å; L152-W155 PolarHBondContact O-N 2.95Å; M153-W155 VanDerWaalsContact C-N 3.29Å; M153-W155 PolarHBondContact O-N 3.18Å; W155-C157 VanDerWaalsContact C-N 3.3Å; W155-C157 PolarHBondContact O-N 3.46Å; W155-L158 HydrophobicContact CE3-CD2 3.79Å; W155-L158 HydrophobicContact CZ3-CD2 3.49Å; W155-L158 VanDerWaalsContact CZ3-CD2 3.49Å; W155-L158 PolarHBondContact O-N 3.42Å; W155-K159 WeakPolarHBondContact O-CB 3.24Å; W155-K159 PolarHBondContact O-N 2.74Å; W155-L195 HydrophobicContact CE3-CD2 4.02Å; W155-L195 HydrophobicContact CH2-CD2 3.23Å; W155-L195 HydrophobicContact CH2-CG 3.68Å; W155-L195 HydrophobicContact CZ2-CD2 4.1Å; W155-L195 HydrophobicContact CZ3-CD2 3.17Å; W155-L195 HydrophobicContact CZ3-CG 3.77Å; W155-F198 AromaticContact CE2-CD1 3.8Å; W155-F198 AromaticContact CE2-CE1 3.89Å; W155-F198 HydrophobicContact CZ2-CB 3.96Å; W155-F198 AromaticContact CZ2-CD1 3.56Å; W155-F198 HydrophobicContact CZ2-CD1 3.56Å; W155-F198 HydrophobicContact CZ2-CD2 4.44Å; W155-F198 HydrophobicContact CZ2-CE1 4.14Å; W155-F198 AromaticContact CZ2-CG 3.73Å; W155-F198 HydrophobicContact CZ2-CG 3.73Å; W155-F198 AromaticContact NE1-CD1 3.58Å; W155-F198 AromaticContact NE1-CE1 3.19Å; W155-F198 AromaticContact NE1-CZ 3.47Å; W155-E262 HydrophobicContact CB-CB 4.24Å; W155-C266 HydrophobicContact CE3-CB 4.37Å |
| 156 | Y | 86.1 | Confident | 83.5 | Confident | 3 Ų | 3 | 16.7 Ų | 16.7 | 1% | 0.012 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -57.8 | -43.6 | 173.1 | -67.8 | -35.6 | 0 | 0 | 0 | 112.2 | N104 L107 K108 L152 M153 S160 E262 | N104-Y156 VanDerWaalsContact CB-OH 3.32Å; N104-Y156 WeakPolarHBondContact CB-OH 3.46Å; L107-Y156 HydrophobicContact CB-CD2 3.97Å; L107-Y156 HydrophobicContact CB-CE2 3.9Å; L107-Y156 HydrophobicContact CD1-CE2 4.35Å; K108-Y156 HydrophobicContact CD-CD1 4.42Å; K108-Y156 HydrophobicContact CD-CE1 4.07Å; K108-Y156 HydrophobicContact CG-CD1 3.58Å; K108-Y156 HydrophobicContact CG-CD2 4.45Å; K108-Y156 HydrophobicContact CG-CE1 3.52Å; K108-Y156 HydrophobicContact CG-CE2 4.42Å; K108-Y156 HydrophobicContact CG-CG 4.08Å; L152-Y156 HydrophobicContact CD1-CE1 4.04Å; L152-Y156 HydrophobicContact CD1-CE2 4.27Å; L152-Y156 HydrophobicContact CD2-CE2 4.18Å; L152-Y156 HydrophobicContact CG-CD2 4.45Å; L152-Y156 HydrophobicContact CG-CE1 4.41Å; L152-Y156 HydrophobicContact CG-CE2 3.75Å; L152-Y156 PolarHBondContact O-N 3.28Å; M153-Y156 PolarHBondContact O-N 2.93Å; M153-Y156 HydrophobicContact SD-CD2 4.49Å; Y156-S160 VanDerWaalsContact O-CB 3.28Å; Y156-S160 WeakPolarHBondContact O-CB 3.47Å; Y156-S160 PolarHBondContact O-N 2.71Å; Y156-S160 PolarHBondContact O-OG 3.47Å; Y156-E262 HydrophobicContact CD1-CG 3.91Å; Y156-E262 WeakPolarHBondContact CD1-OE2 3.35Å; Y156-E262 HydrophobicContact CE1-CB 4.42Å; Y156-E262 HydrophobicContact CE1-CG 3.39Å; Y156-E262 WeakPolarHBondContact CE1-OE2 3.41Å |
| 157 | C | 87 | Confident | 84 | Confident | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -66.8 | -41.5 | 179 | -63.5 | 0 | 0 | 0 | 0 | 111.5 | I133 M153 G154 W155 M161 | I133-C157 HydrophobicContact CG1-CB 4.22Å; M153-C157 PolarHBondContact O-N 3.44Å; M153-C157 VanDerWaalsContact O-N 3.12Å; M153-C157 PolarHBondContact O-SG 2.92Å; M153-C157 VanDerWaalsContact O-SG 3.32Å; G154-C157 PolarHBondContact O-N 2.92Å; W155-C157 VanDerWaalsContact C-N 3.3Å; W155-C157 PolarHBondContact O-N 3.46Å; C157-M161 VanDerWaalsContact O-CB 3.3Å; C157-M161 WeakPolarHBondContact O-CB 3.33Å; C157-M161 PolarHBondContact O-N 2.87Å |
| 158 | L | 87.4 | Confident | 84.3 | Confident | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -65.5 | -49.4 | 178.8 | -171.2 | 72.1 | 0 | 0 | 0 | 111.4 | I133 I137 G154 W155 S160 M161 Y162 F191 C266 | I133-L158 HydrophobicContact CG2-CB 4.15Å; I133-L158 HydrophobicContact CG2-CD1 3.86Å; I137-L158 HydrophobicContact CD1-CB 4.32Å; I137-L158 HydrophobicContact CD1-CD2 3.97Å; G154-L158 PolarHBondContact O-N 2.89Å; W155-L158 HydrophobicContact CE3-CD2 3.79Å; W155-L158 HydrophobicContact CZ3-CD2 3.49Å; W155-L158 VanDerWaalsContact CZ3-CD2 3.49Å; W155-L158 PolarHBondContact O-N 3.42Å; L158-S160 PolarHBondContact O-N 3.37Å; L158-M161 HydrophobicContact CD1-CE 3.56Å; L158-M161 WeakPolarHBondContact O-CB 3.23Å; L158-M161 PolarHBondContact O-N 2.96Å; L158-Y162 HydrophobicContact CD1-CD2 4.39Å; L158-Y162 HydrophobicContact CD1-CE2 4.01Å; L158-Y162 HydrophobicContact CG-CD2 4.28Å; L158-Y162 HydrophobicContact CG-CE2 4.2Å; L158-Y162 WeakPolarHBondContact O-CD2 3.17Å; L158-Y162 PolarHBondContact O-N 3.44Å; L158-F191 HydrophobicContact CD1-CD1 3.74Å; L158-F191 HydrophobicContact CD1-CD2 4.47Å; L158-F191 HydrophobicContact CD1-CE1 3.31Å; L158-F191 HydrophobicContact CD1-CE2 4.06Å; L158-F191 HydrophobicContact CD1-CG 4.29Å; L158-F191 HydrophobicContact CD1-CZ 3.45Å; L158-F191 VanDerWaalsContact CD1-CZ 3.45Å; L158-F191 HydrophobicContact CD2-CD1 3.91Å; L158-F191 HydrophobicContact CD2-CE1 4.25Å; L158-F191 HydrophobicContact CD2-CG 4.46Å; L158-F191 HydrophobicContact CG-CE1 4.46Å; L158-C266 WeakPolarHBondContact CD2-SG 3.28Å; L158-C266 VanDerWaalsContact CG-SG 3.58Å |
| 159 | K | 89.1 | Confident | 84.4 | Confident | 31 Ų | 31 | 19.6 Ų | 19.6 | 14% | 0.135 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -57 | -51.1 | 176.6 | -177.5 | -175.9 | 172.9 | -169 | 0 | 111 | W155 M161 Y162 E163 E265 C266 | W155-K159 WeakPolarHBondContact O-CB 3.24Å; W155-K159 PolarHBondContact O-N 2.74Å; K159-M161 PolarHBondContact O-N 3.17Å; K159-Y162 PolarHBondContact O-N 2.85Å; K159-Y162 VanDerWaalsContact O-N 3.08Å; K159-E163 WeakPolarHBondContact CE-OE1 3.05Å; K159-E163 IonicContact NZ-OE1 3Å; K159-E163 PolarHBondContact O-N 2.83Å; K159-E265 HydrophobicContact CD-CB 3.98Å; K159-E265 IonicContact NZ-OE2 3.47Å; K159-E265 PolarHBondContact NZ-OE2 2.79Å; K159-C266 HydrophobicContact CB-CB 3.98Å; K159-C266 HydrophobicContact CG-CB 4.5Å |
| 160 | S | 87.6 | Confident | 84.2 | Confident | 9 Ų | 9 | 26.9 Ų | 26.9 | 6% | 0.063 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -61.9 | -33.3 | -179.6 | -53.9 | 0 | 0 | 0 | 0 | 112.4 | S115 Y156 L158 S164 | S115-S160 VanDerWaalsContact OG-CB 3.26Å; S115-S160 WeakPolarHBondContact OG-CB 3.03Å; S115-S160 PolarHBondContact OG-O 3.42Å; Y156-S160 VanDerWaalsContact O-CB 3.28Å; Y156-S160 WeakPolarHBondContact O-CB 3.47Å; Y156-S160 PolarHBondContact O-N 2.71Å; Y156-S160 PolarHBondContact O-OG 3.47Å; L158-S160 PolarHBondContact O-N 3.37Å; S160-S164 WeakPolarHBondContact O-CB 3.32Å; S160-S164 PolarHBondContact O-N 3.15Å; S160-S164 PolarHBondContact O-OG 3.5Å |
| 161 | M | 88.3 | Confident | 83.9 | Confident | 1 Ų | 1 | 30.9 Ų | 30.9 | 1% | 0.005 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -61.7 | -50 | 172.2 | -179.6 | -170.6 | 75 | 0 | 0 | 111.3 | Y129 M130 I133 C157 L158 K159 S164 F165 L184 F191 | Y129-M161 HydrophobicContact CD1-SD 4.43Å; Y129-M161 HydrophobicContact CE1-CB 4.34Å; Y129-M161 HydrophobicContact CE1-CG 4.03Å; Y129-M161 HydrophobicContact CE1-SD 3.8Å; M130-M161 HydrophobicContact SD-CE 4.38Å; M130-M161 HydrophobicContact SD-SD 3.91Å; I133-M161 HydrophobicContact CD1-SD 3.8Å; C157-M161 VanDerWaalsContact O-CB 3.3Å; C157-M161 WeakPolarHBondContact O-CB 3.33Å; C157-M161 PolarHBondContact O-N 2.87Å; L158-M161 HydrophobicContact CD1-CE 3.56Å; L158-M161 WeakPolarHBondContact O-CB 3.23Å; L158-M161 PolarHBondContact O-N 2.96Å; K159-M161 PolarHBondContact O-N 3.17Å; M161-S164 PolarHBondContact O-N 2.66Å; M161-F165 HydrophobicContact CG-CD1 4.2Å; M161-F165 HydrophobicContact CG-CD2 4.09Å; M161-F165 HydrophobicContact CG-CE1 3.99Å; M161-F165 HydrophobicContact CG-CE2 3.9Å; M161-F165 HydrophobicContact CG-CG 4.25Å; M161-F165 HydrophobicContact CG-CZ 3.85Å; M161-F165 WeakPolarHBondContact O-CB 3.44Å; M161-F165 VanDerWaalsContact O-CD1 3.24Å; M161-F165 WeakPolarHBondContact O-CD1 3.47Å; M161-F165 VanDerWaalsContact O-CG 3.28Å; M161-F165 WeakPolarHBondContact O-CG 3.32Å; M161-F165 PolarHBondContact O-N 3.2Å; M161-F165 HydrophobicContact SD-CE2 4.46Å; M161-L184 HydrophobicContact CE-CD2 3.68Å; M161-L184 HydrophobicContact SD-CD2 4.37Å; M161-F191 HydrophobicContact CE-CE2 4.18Å; M161-F191 HydrophobicContact CE-CZ 4.21Å |
| 162 | Y | 87.2 | Confident | 83.7 | Confident | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -61.9 | -47.1 | 178 | -86.1 | -90.2 | 0 | 0 | 0 | 112.1 | L158 K159 S164 F165 L166 L184 T188 F191 V270 L273 | L158-Y162 HydrophobicContact CD1-CD2 4.39Å; L158-Y162 HydrophobicContact CD1-CE2 4.01Å; L158-Y162 HydrophobicContact CG-CD2 4.28Å; L158-Y162 HydrophobicContact CG-CE2 4.2Å; L158-Y162 WeakPolarHBondContact O-CD2 3.17Å; L158-Y162 PolarHBondContact O-N 3.44Å; K159-Y162 PolarHBondContact O-N 2.85Å; K159-Y162 VanDerWaalsContact O-N 3.08Å; Y162-S164 PolarHBondContact O-N 2.67Å; Y162-F165 PolarHBondContact O-N 3.45Å; Y162-L166 WeakPolarHBondContact O-CB 3.15Å; Y162-L166 VanDerWaalsContact O-CG 3.25Å; Y162-L166 WeakPolarHBondContact O-CG 3.25Å; Y162-L166 PolarHBondContact O-N 3.22Å; Y162-L184 HydrophobicContact CD1-CD1 4.09Å; Y162-L184 HydrophobicContact CE1-CB 4.31Å; Y162-L184 HydrophobicContact CE1-CD1 4.28Å; Y162-L184 HydrophobicContact CE1-CD2 4.24Å; Y162-L184 HydrophobicContact CE2-CD2 4.49Å; Y162-T188 HydrophobicContact CE1-CG2 4.07Å; Y162-F191 HydrophobicContact CE2-CD2 4.18Å; Y162-F191 HydrophobicContact CE2-CE2 4.33Å; Y162-F191 WeakPolarHBondContact OH-CD2 3.3Å; Y162-V270 HydrophobicContact CD1-CG2 4.24Å; Y162-V270 HydrophobicContact CD2-CG2 3.88Å; Y162-V270 HydrophobicContact CE1-CB 4.25Å; Y162-V270 HydrophobicContact CE1-CG1 4.41Å; Y162-V270 HydrophobicContact CE1-CG2 3.94Å; Y162-V270 HydrophobicContact CE2-CG2 3.55Å; Y162-V270 HydrophobicContact CG-CG2 4.22Å; Y162-L273 HydrophobicContact CD1-CD1 4.13Å; Y162-L273 HydrophobicContact CE1-CD1 4.09Å |
| 163 | E | 86.6 | Confident | 83.6 | Confident | 72 Ų | 72 | 34.5 Ų | 34.5 | 34% | 0.336 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -57.8 | -49.7 | 177.7 | -70.5 | -178.9 | 167.1 | 0 | 0 | 111.8 | K159 F165 N167 E269 | K159-E163 WeakPolarHBondContact CE-OE1 3.05Å; K159-E163 IonicContact NZ-OE1 3Å; K159-E163 PolarHBondContact O-N 2.83Å; E163-F165 PolarHBondContact O-N 3.4Å; E163-N167 PolarHBondContact O-N 3.27Å; E163-E269 HydrophobicContact CG-CG 3.95Å |
| 164 | S | 84.5 | Confident | 83.4 | Confident | 8 Ų | 8 | 43 Ų | 43 | 6% | 0.056 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -69.1 | -34.9 | -176 | -55.4 | 0 | 0 | 0 | 0 | 112.4 | S115 S160 M161 Y162 N167 P168 | S115-S164 PolarHBondContact OG-OG 3.13Å; S160-S164 WeakPolarHBondContact O-CB 3.32Å; S160-S164 PolarHBondContact O-N 3.15Å; S160-S164 PolarHBondContact O-OG 3.5Å; M161-S164 PolarHBondContact O-N 2.66Å; Y162-S164 PolarHBondContact O-N 2.67Å; S164-N167 CarbonylContact O-C 3.58Å; S164-N167 VanDerWaalsContact O-C 3.32Å; S164-P168 WeakPolarHBondContact O-CA 3.31Å; S164-P168 VanDerWaalsContact O-N 3.12Å |
| 165 | F | 85.9 | Confident | 83.1 | Confident | 2 Ų | 2 | 46.7 Ų | 46.7 | 1% | 0.009 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -85 | -29.8 | -176 | -75.5 | 28.6 | 0 | 0 | 0 | 111.8 | A118 C119 W122 M161 Y162 E163 L180 L184 | A118-F165 HydrophobicContact CB-CE1 4.25Å; A118-F165 HydrophobicContact CB-CZ 3.99Å; C119-F165 HydrophobicContact CB-CD1 3.84Å; C119-F165 HydrophobicContact CB-CE1 3.64Å; W122-F165 HydrophobicContact CE3-CE2 4.19Å; M161-F165 HydrophobicContact CG-CD1 4.2Å; M161-F165 HydrophobicContact CG-CD2 4.09Å; M161-F165 HydrophobicContact CG-CE1 3.99Å; M161-F165 HydrophobicContact CG-CE2 3.9Å; M161-F165 HydrophobicContact CG-CG 4.25Å; M161-F165 HydrophobicContact CG-CZ 3.85Å; M161-F165 WeakPolarHBondContact O-CB 3.44Å; M161-F165 VanDerWaalsContact O-CD1 3.24Å; M161-F165 WeakPolarHBondContact O-CD1 3.47Å; M161-F165 VanDerWaalsContact O-CG 3.28Å; M161-F165 WeakPolarHBondContact O-CG 3.32Å; M161-F165 PolarHBondContact O-N 3.2Å; M161-F165 HydrophobicContact SD-CE2 4.46Å; Y162-F165 PolarHBondContact O-N 3.45Å; E163-F165 PolarHBondContact O-N 3.4Å; F165-L180 HydrophobicContact CB-CB 4.49Å; F165-L180 HydrophobicContact CD2-CB 4.16Å; F165-L180 HydrophobicContact CD2-CD1 4.47Å; F165-L180 HydrophobicContact CD2-CD2 3.97Å; F165-L180 HydrophobicContact CD2-CG 4.43Å; F165-L180 HydrophobicContact CE2-CD2 3.87Å; F165-L180 HydrophobicContact CG-CD1 4.37Å; F165-L180 HydrophobicContact CZ-CD2 4.48Å; F165-L184 HydrophobicContact CB-CD1 3.47Å; F165-L184 VanDerWaalsContact CB-CD1 3.47Å; F165-L184 HydrophobicContact CB-CG 4.4Å; F165-L184 HydrophobicContact CD2-CD1 3.98Å; F165-L184 HydrophobicContact CD2-CD2 4.08Å; F165-L184 HydrophobicContact CD2-CG 4.03Å; F165-L184 HydrophobicContact CG-CD1 4.18Å |
| 166 | L | 83 | Confident | 82.8 | Confident | 17 Ų | 17 | 48.3 Ų | 48.3 | 9% | 0.089 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -65.4 | -45.7 | 172.1 | -83.6 | 172.7 | 0 | 0 | 0 | 111.3 | Y162 P168 R177 Q181 K272 L273 | Y162-L166 WeakPolarHBondContact O-CB 3.15Å; Y162-L166 VanDerWaalsContact O-CG 3.25Å; Y162-L166 WeakPolarHBondContact O-CG 3.25Å; Y162-L166 PolarHBondContact O-N 3.22Å; L166-P168 VanDerWaalsContact C-CD 3.49Å; L166-P168 WeakPolarHBondContact O-CD 3.14Å; L166-R177 PolarHBondContact O-NE 3.37Å; L166-R177 PolarHBondContact O-NH2 2.89Å; L166-Q181 PolarHBondContact O-NE2 3.13Å; L166-K272 HydrophobicContact CD1-CB 4.21Å; L166-K272 HydrophobicContact CD1-CD 4.18Å; L166-L273 HydrophobicContact CD2-CD1 3.62Å; L166-L273 HydrophobicContact CD2-CD2 3.51Å; L166-L273 HydrophobicContact CD2-CG 3.51Å; L166-L273 HydrophobicContact CG-CD1 4.06Å; L166-L273 HydrophobicContact CG-CG 4.31Å |
| 167 | N | 82.2 | Confident | 82.6 | Confident | 116 Ų | 116 | 52 Ų | 52 | 62% | 0.62 | 26% | 0.26 | S | S | * | . | S | Bend | trans | -124.9 | 72.7 | -178.2 | -65.6 | -36.3 | 0 | 0 | 0 | 110.6 | E163 S164 R177 | E163-N167 PolarHBondContact O-N 3.27Å; S164-N167 CarbonylContact O-C 3.58Å; S164-N167 VanDerWaalsContact O-C 3.32Å; N167-R177 PolarHBondContact OD1-NH2 3.36Å |
| 168 | P | 81.3 | Confident | 82.4 | Confident | 21 Ų | 21 | 54.1 Ų | 54.1 | 14% | 0.136 | 27% | 0.273 | C | S | . | . | trans | -65.7 | 153.6 | 178.6 | 26.5 | -32.8 | 0 | 0 | 0 | 111.6 | S164 L166 I172 R177 | S164-P168 WeakPolarHBondContact O-CA 3.31Å; S164-P168 VanDerWaalsContact O-N 3.12Å; L166-P168 VanDerWaalsContact C-CD 3.49Å; L166-P168 WeakPolarHBondContact O-CD 3.14Å; P168-I172 HydrophobicContact CB-CB 4.05Å; P168-I172 HydrophobicContact CB-CD1 3.79Å; P168-I172 HydrophobicContact CB-CG1 4.35Å; P168-I172 HydrophobicContact CB-CG2 4.26Å; P168-R177 HydrophobicContact CG-CB 3.85Å; P168-R177 HydrophobicContact CG-CG 3.65Å | ||
| 169 | P | 77.6 | Confident | 82.2 | Confident | 29 Ų | 29 | 57.5 Ų | 57.5 | 19% | 0.188 | 29% | 0.289 | C | S | . | . | trans | -57.8 | 149.9 | 173.6 | 24.4 | -33.6 | 0 | 0 | 0 | 111.3 | F120 M171 I172 | F120-P169 HydrophobicContact CE2-CG 4.47Å; F120-P169 HydrophobicContact CZ-CG 4.01Å; P169-M171 PolarHBondContact O-N 2.79Å; P169-I172 HydrophobicContact CG-CD1 4.05Å; P169-I172 HydrophobicContact CG-CG1 4.25Å; P169-I172 PolarHBondContact O-N 2.95Å | ||
| 170 | E | 75.3 | Confident | 82 | Confident | 200 Ų | 200 | 56 Ų | 56 | 94% | 0.935 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.5 | -20 | -173.1 | -64.3 | -176.9 | 166.2 | 0 | 0 | 114.7 | I172 | E170-I172 PolarHBondContact O-N 3.38Š|
| 171 | M | 74.6 | Confident | 81.9 | Confident | 126 Ų | 126 | 57.9 Ų | 57.9 | 62% | 0.621 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | -17.4 | 177 | -59.7 | -62.2 | -176 | 0 | 0 | 113.7 | P169 | P169-M171 PolarHBondContact O-N 2.79Š|
| 172 | I | 76.7 | Confident | 81.7 | Confident | 22 Ų | 22 | 62 Ų | 62 | 11% | 0.113 | 31% | 0.312 | C | S | . | . | S | Bend | trans | -87 | 132 | -179.4 | -62.6 | -175.4 | 0 | 0 | 0 | 109.8 | C119 F120 P168 P169 E170 K176 | C119-I172 HydrophobicContact CB-CD1 4.21Å; C119-I172 WeakPolarHBondContact SG-CD1 3.37Å; F120-I172 HydrophobicContact CD1-CD1 3.89Å; F120-I172 HydrophobicContact CD1-CG1 3.86Å; F120-I172 HydrophobicContact CE1-CD1 3.74Å; F120-I172 HydrophobicContact CE1-CG1 3.44Å; F120-I172 VanDerWaalsContact CE1-CG1 3.44Å; F120-I172 HydrophobicContact CG-CD1 4.37Å; F120-I172 HydrophobicContact CZ-CD1 4.09Å; F120-I172 HydrophobicContact CZ-CG1 4.07Å; P168-I172 HydrophobicContact CB-CB 4.05Å; P168-I172 HydrophobicContact CB-CD1 3.79Å; P168-I172 HydrophobicContact CB-CG1 4.35Å; P168-I172 HydrophobicContact CB-CG2 4.26Å; P169-I172 HydrophobicContact CG-CD1 4.05Å; P169-I172 HydrophobicContact CG-CG1 4.25Å; P169-I172 PolarHBondContact O-N 2.95Å; E170-I172 PolarHBondContact O-N 3.38Å; I172-K176 HydrophobicContact CG2-CB 3.75Å; I172-K176 HydrophobicContact CG2-CG 3.84Å |
| 173 | S | 79.4 | Confident | 81.5 | Confident | 62 Ų | 62 | 64.9 Ų | 64.9 | 43% | 0.434 | 33% | 0.325 | S | S | . | . | trans | -62.5 | 148.4 | 179.9 | 70.4 | 0 | 0 | 0 | 0 | 112.1 | S175 K176 R177 | S173-S175 PolarHBondContact O-N 3.34Å; S173-S175 PolarHBondContact OG-OG 3.35Å; S173-K176 PolarHBondContact O-N 3.4Å; S173-K176 WeakPolarHBondContact OG-CB 3.33Å; S173-K176 PolarHBondContact OG-N 3.31Å; S173-R177 PolarHBondContact O-N 3.48Å | ||
| 174 | Y | 79.2 | Confident | 81.4 | Confident | 182 Ų | 182 | 61.7 Ų | 61.7 | 71% | 0.714 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -56.7 | -35.7 | 175.1 | -178.9 | -99.2 | 0 | 0 | 0 | 112.6 | R177 T178 | Y174-R177 PolarHBondContact O-N 3.11Å; Y174-T178 HydrophobicContact CD1-CG2 4.35Å; Y174-T178 HydrophobicContact CE1-CG2 3.88Å; Y174-T178 HydrophobicContact CE2-CG2 4.37Å; Y174-T178 PolarHBondContact O-N 3.31Å; Y174-T178 PolarHBondContact O-OG1 3.44Å |
| 175 | S | 79.7 | Confident | 81.3 | Confident | 79 Ų | 79 | 67.7 Ų | 67.7 | 55% | 0.552 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -62.1 | -44.6 | 174.8 | 56.3 | 0 | 0 | 0 | 0 | 112.3 | S173 T178 E179 | S173-S175 PolarHBondContact O-N 3.34Å; S173-S175 PolarHBondContact OG-OG 3.35Å; S175-T178 PolarHBondContact O-N 3.06Å; S175-T178 PolarHBondContact O-OG1 3.15Å; S175-E179 PolarHBondContact O-N 2.92Å |
| 176 | K | 81.2 | Confident | 81.1 | Confident | 34 Ų | 34 | 74.6 Ų | 74.6 | 15% | 0.148 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -67.1 | -39 | 177.9 | -174 | 59.2 | 175.4 | 179.1 | 0 | 111.6 | W122 I172 S173 T178 E179 L180 | W122-K176 VanDerWaalsContact O-CE 3.31Å; W122-K176 WeakPolarHBondContact O-CE 3.46Å; W122-K176 PolarHBondContact O-NZ 3.01Å; I172-K176 HydrophobicContact CG2-CB 3.75Å; I172-K176 HydrophobicContact CG2-CG 3.84Å; S173-K176 PolarHBondContact O-N 3.4Å; S173-K176 WeakPolarHBondContact OG-CB 3.33Å; S173-K176 PolarHBondContact OG-N 3.31Å; K176-T178 PolarHBondContact O-N 3.34Å; K176-E179 WeakPolarHBondContact CD-OE2 3.5Å; K176-E179 IonicContact NZ-OE2 2.86Å; K176-E179 PolarHBondContact NZ-OE2 3.17Å; K176-E179 WeakPolarHBondContact O-CB 3.3Å; K176-E179 PolarHBondContact O-N 3.12Å; K176-L180 HydrophobicContact CG-CD1 4.38Å; K176-L180 VanDerWaalsContact O-CG 3.32Å; K176-L180 WeakPolarHBondContact O-CG 3.48Å; K176-L180 PolarHBondContact O-N 3.45Å |
| 177 | R | 81.3 | Confident | 81 | Confident | 82 Ų | 82 | 76.4 Ų | 76.4 | 31% | 0.309 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -56.3 | -50.2 | 173.8 | 179.1 | 177.6 | -174.8 | -178.6 | 3.9 | 112 | L166 N167 P168 S173 Y174 E179 L180 Q181 | L166-R177 PolarHBondContact O-NE 3.37Å; L166-R177 PolarHBondContact O-NH2 2.89Å; N167-R177 PolarHBondContact OD1-NH2 3.36Å; P168-R177 HydrophobicContact CG-CB 3.85Å; P168-R177 HydrophobicContact CG-CG 3.65Å; S173-R177 PolarHBondContact O-N 3.48Å; Y174-R177 PolarHBondContact O-N 3.11Å; R177-E179 VanDerWaalsContact C-N 3.33Å; R177-E179 PolarHBondContact O-N 2.92Å; R177-L180 PolarHBondContact O-N 2.71Å; R177-Q181 WeakPolarHBondContact O-CG 3.13Å; R177-Q181 PolarHBondContact O-N 3.4Å |
| 178 | T | 82 | Confident | 81.1 | Confident | 44 Ų | 44 | 70.9 Ų | 70.9 | 27% | 0.27 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -65.3 | -36.8 | 179.9 | 52.9 | 0 | 0 | 0 | 0 | 112.4 | Y174 S175 K176 Q181 N182 | Y174-T178 HydrophobicContact CD1-CG2 4.35Å; Y174-T178 HydrophobicContact CE1-CG2 3.88Å; Y174-T178 HydrophobicContact CE2-CG2 4.37Å; Y174-T178 PolarHBondContact O-N 3.31Å; Y174-T178 PolarHBondContact O-OG1 3.44Å; S175-T178 PolarHBondContact O-N 3.06Å; S175-T178 PolarHBondContact O-OG1 3.15Å; K176-T178 PolarHBondContact O-N 3.34Å; T178-Q181 PolarHBondContact O-N 3.28Å; T178-N182 WeakPolarHBondContact O-CB 3.49Å; T178-N182 PolarHBondContact O-N 3.32Å; T178-N182 PolarHBondContact O-ND2 3.3Å |
| 179 | E | 84.5 | Confident | 81 | Confident | 70 Ų | 70 | 71.6 Ų | 71.6 | 33% | 0.327 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -59 | -52.2 | 171.9 | -176.8 | -174.6 | -154.3 | 0 | 0 | 111.5 | S175 K176 R177 Q181 N182 F183 | S175-E179 PolarHBondContact O-N 2.92Å; K176-E179 WeakPolarHBondContact CD-OE2 3.5Å; K176-E179 IonicContact NZ-OE2 2.86Å; K176-E179 PolarHBondContact NZ-OE2 3.17Å; K176-E179 WeakPolarHBondContact O-CB 3.3Å; K176-E179 PolarHBondContact O-N 3.12Å; R177-E179 VanDerWaalsContact C-N 3.33Å; R177-E179 PolarHBondContact O-N 2.92Å; E179-Q181 PolarHBondContact O-N 3.19Å; E179-N182 PolarHBondContact O-N 2.74Å; E179-F183 HydrophobicContact CG-CD2 3.74Å; E179-F183 HydrophobicContact CG-CE2 3.44Å; E179-F183 VanDerWaalsContact CG-CE2 3.44Å; E179-F183 WeakPolarHBondContact O-CD2 3.38Å; E179-F183 PolarHBondContact O-N 2.78Å |
| 180 | L | 84.4 | Confident | 81.1 | Confident | 0 Ų | 0 | 73 Ų | 73 | 0% | 0 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -58.8 | -44.2 | 178.3 | -68.4 | 174.2 | 0 | 0 | 0 | 112.1 | W122 F165 K176 R177 N182 F183 L184 | W122-L180 HydrophobicContact CE3-CD2 3.82Å; W122-L180 HydrophobicContact CZ3-CD2 4.36Å; F165-L180 HydrophobicContact CB-CB 4.49Å; F165-L180 HydrophobicContact CD2-CB 4.16Å; F165-L180 HydrophobicContact CD2-CD1 4.47Å; F165-L180 HydrophobicContact CD2-CD2 3.97Å; F165-L180 HydrophobicContact CD2-CG 4.43Å; F165-L180 HydrophobicContact CE2-CD2 3.87Å; F165-L180 HydrophobicContact CG-CD1 4.37Å; F165-L180 HydrophobicContact CZ-CD2 4.48Å; K176-L180 HydrophobicContact CG-CD1 4.38Å; K176-L180 VanDerWaalsContact O-CG 3.32Å; K176-L180 WeakPolarHBondContact O-CG 3.48Å; K176-L180 PolarHBondContact O-N 3.45Å; R177-L180 PolarHBondContact O-N 2.71Å; L180-N182 VanDerWaalsContact C-N 3.35Å; L180-N182 PolarHBondContact O-N 3.15Å; L180-F183 PolarHBondContact O-N 3.11Å; L180-L184 WeakPolarHBondContact O-CG 3.31Å; L180-L184 PolarHBondContact O-N 3.25Å |
| 181 | Q | 85.4 | Confident | 81.3 | Confident | 48 Ų | 48 | 63.5 Ų | 63.5 | 22% | 0.224 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -63.1 | -39.5 | 177.3 | -72.4 | 177 | -8.5 | 0 | 0 | 112.4 | L166 R177 T178 E179 F183 L184 R185 | L166-Q181 PolarHBondContact O-NE2 3.13Å; R177-Q181 WeakPolarHBondContact O-CG 3.13Å; R177-Q181 PolarHBondContact O-N 3.4Å; T178-Q181 PolarHBondContact O-N 3.28Å; E179-Q181 PolarHBondContact O-N 3.19Å; Q181-F183 VanDerWaalsContact C-N 3.34Å; Q181-L184 PolarHBondContact O-N 3.24Å; Q181-R185 WeakPolarHBondContact O-CB 3.38Å; Q181-R185 PolarHBondContact O-N 3.22Å |
| 182 | N | 84.7 | Confident | 81.6 | Confident | 88 Ų | 88 | 57.5 Ų | 57.5 | 47% | 0.471 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -65.8 | -38.3 | 176.1 | -75.6 | -28.2 | 0 | 0 | 0 | 112.1 | T178 E179 L180 K186 | T178-N182 WeakPolarHBondContact O-CB 3.49Å; T178-N182 PolarHBondContact O-N 3.32Å; T178-N182 PolarHBondContact O-ND2 3.3Å; E179-N182 PolarHBondContact O-N 2.74Å; L180-N182 VanDerWaalsContact C-N 3.35Å; L180-N182 PolarHBondContact O-N 3.15Å; N182-K186 PolarHBondContact O-N 2.72Å |
| 183 | F | 82.3 | Confident | 81.7 | Confident | 61 Ų | 61 | 57.8 Ų | 57.8 | 27% | 0.268 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -66.4 | -48 | 174.3 | -83.2 | -62.7 | 0 | 0 | 0 | 112.3 | W122 P123 E179 L180 Q181 R185 K186 E187 | W122-F183 HydrophobicContact CH2-CB 3.56Å; W122-F183 AromaticContact CH2-CD1 3.83Å; W122-F183 HydrophobicContact CH2-CD1 3.83Å; W122-F183 HydrophobicContact CH2-CD2 4.18Å; W122-F183 AromaticContact CH2-CG 3.61Å; W122-F183 HydrophobicContact CH2-CG 3.61Å; W122-F183 HydrophobicContact CZ3-CB 3.41Å; W122-F183 VanDerWaalsContact CZ3-CB 3.41Å; W122-F183 HydrophobicContact CZ3-CD1 4.15Å; W122-F183 AromaticContact CZ3-CD2 3.64Å; W122-F183 HydrophobicContact CZ3-CD2 3.64Å; W122-F183 HydrophobicContact CZ3-CE2 4.42Å; W122-F183 AromaticContact CZ3-CG 3.49Å; W122-F183 HydrophobicContact CZ3-CG 3.49Å; W122-F183 VanDerWaalsContact CZ3-CG 3.49Å; P123-F183 HydrophobicContact CG-CE2 3.94Å; P123-F183 HydrophobicContact CG-CZ 4.01Å; E179-F183 HydrophobicContact CG-CD2 3.74Å; E179-F183 HydrophobicContact CG-CE2 3.44Å; E179-F183 VanDerWaalsContact CG-CE2 3.44Å; E179-F183 WeakPolarHBondContact O-CD2 3.38Å; E179-F183 PolarHBondContact O-N 2.78Å; L180-F183 PolarHBondContact O-N 3.11Å; Q181-F183 VanDerWaalsContact C-N 3.34Å; F183-R185 VanDerWaalsContact C-N 3.27Å; F183-R185 PolarHBondContact O-N 3.41Å; F183-K186 WeakPolarHBondContact O-CB 3.46Å; F183-K186 PolarHBondContact O-N 3.45Å; F183-E187 PolarHBondContact O-N 3.46Å |
| 184 | L | 84.8 | Confident | 81.5 | Confident | 5 Ų | 5 | 56 Ų | 56 | 3% | 0.026 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -56.9 | -43.8 | 175.5 | -74 | -177 | 0 | 0 | 0 | 111.3 | M161 Y162 F165 L180 Q181 K186 E187 T188 L273 | M161-L184 HydrophobicContact CE-CD2 3.68Å; M161-L184 HydrophobicContact SD-CD2 4.37Å; Y162-L184 HydrophobicContact CD1-CD1 4.09Å; Y162-L184 HydrophobicContact CE1-CB 4.31Å; Y162-L184 HydrophobicContact CE1-CD1 4.28Å; Y162-L184 HydrophobicContact CE1-CD2 4.24Å; Y162-L184 HydrophobicContact CE2-CD2 4.49Å; F165-L184 HydrophobicContact CB-CD1 3.47Å; F165-L184 VanDerWaalsContact CB-CD1 3.47Å; F165-L184 HydrophobicContact CB-CG 4.4Å; F165-L184 HydrophobicContact CD2-CD1 3.98Å; F165-L184 HydrophobicContact CD2-CD2 4.08Å; F165-L184 HydrophobicContact CD2-CG 4.03Å; F165-L184 HydrophobicContact CG-CD1 4.18Å; L180-L184 WeakPolarHBondContact O-CG 3.31Å; L180-L184 PolarHBondContact O-N 3.25Å; Q181-L184 PolarHBondContact O-N 3.24Å; L184-K186 PolarHBondContact O-N 3.4Å; L184-E187 PolarHBondContact O-N 3.46Å; L184-T188 VanDerWaalsContact O-CG2 3.24Å; L184-T188 WeakPolarHBondContact O-CG2 3.5Å; L184-T188 PolarHBondContact O-N 2.82Å; L184-L273 HydrophobicContact CB-CD1 3.56Å; L184-L273 HydrophobicContact CD1-CD1 3.7Å; L184-L273 HydrophobicContact CG-CD1 4.32Å |
| 185 | R | 82.4 | Confident | 81.5 | Confident | 134 Ų | 134 | 47.6 Ų | 47.6 | 51% | 0.506 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -54.8 | -37.8 | 176.6 | -174.5 | 177.3 | -87.3 | 164.2 | -7.6 | 112.3 | Q181 F183 T188 | Q181-R185 WeakPolarHBondContact O-CB 3.38Å; Q181-R185 PolarHBondContact O-N 3.22Å; F183-R185 VanDerWaalsContact C-N 3.27Å; F183-R185 PolarHBondContact O-N 3.41Å; R185-T188 PolarHBondContact O-OG1 3.45Å |
| 186 | K | 81.7 | Confident | 81.5 | Confident | 146 Ų | 146 | 44 Ų | 44 | 64% | 0.635 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -68.4 | -39.3 | 176.3 | -68.7 | 175 | -178.3 | 177.3 | 0 | 112.8 | N182 F183 L184 | N182-K186 PolarHBondContact O-N 2.72Å; F183-K186 WeakPolarHBondContact O-CB 3.46Å; F183-K186 PolarHBondContact O-N 3.45Å; L184-K186 PolarHBondContact O-N 3.4Å |
| 187 | E | 81.4 | Confident | 81.3 | Confident | 55 Ų | 55 | 44.5 Ų | 44.5 | 26% | 0.257 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -82.6 | -19.3 | -178.6 | -66.5 | -72.4 | 131.3 | 0 | 0 | 113.2 | M130 K134 F183 L184 T189 T190 F191 | M130-E187 HydrophobicContact CE-CB 4.35Å; M130-E187 HydrophobicContact CE-CG 3.84Å; M130-E187 WeakPolarHBondContact CE-OE2 3.25Å; K134-E187 IonicContact NZ-OE2 2.79Å; K134-E187 PolarHBondContact NZ-OE2 3.26Å; F183-E187 PolarHBondContact O-N 3.46Å; L184-E187 PolarHBondContact O-N 3.46Å; E187-T189 VanDerWaalsContact C-N 3.28Å; E187-T189 PolarHBondContact O-N 3.42Å; E187-T189 VanDerWaalsContact O-N 3.15Å; E187-T190 PolarHBondContact O-N 3.29Å; E187-T190 PolarHBondContact O-OG1 3.14Å; E187-F191 HydrophobicContact CB-CD2 3.84Å; E187-F191 HydrophobicContact CB-CE2 3.56Å; E187-F191 HydrophobicContact CG-CE2 4.46Å; E187-F191 VanDerWaalsContact O-CD2 3.26Å; E187-F191 WeakPolarHBondContact O-CD2 3.42Å; E187-F191 PolarHBondContact O-N 3.15Å; E187-F191 VanDerWaalsContact O-N 3.1Å |
| 188 | T | 82.7 | Confident | 81 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -50.5 | -42.7 | -176.1 | 53.4 | 0 | 0 | 0 | 0 | 113.9 | Y162 L184 R185 T190 F191 C192 V270 L273 | Y162-T188 HydrophobicContact CE1-CG2 4.07Å; L184-T188 VanDerWaalsContact O-CG2 3.24Å; L184-T188 WeakPolarHBondContact O-CG2 3.5Å; L184-T188 PolarHBondContact O-N 2.82Å; R185-T188 PolarHBondContact O-OG1 3.45Å; T188-T190 VanDerWaalsContact C-N 3.34Å; T188-T190 PolarHBondContact O-N 3.36Å; T188-F191 PolarHBondContact O-N 3.05Å; T188-C192 PolarHBondContact O-N 3.38Å; T188-C192 PolarHBondContact O-SG 3.46Å; T188-V270 HydrophobicContact CG2-CG1 4.12Å; T188-L273 HydrophobicContact CG2-CB 3.93Å |
| 189 | T | 80.3 | Confident | 80.8 | Confident | 37 Ų | 37 | 39.1 Ų | 39.1 | 23% | 0.227 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -64.4 | -39.7 | -179.8 | 49.5 | 0 | 0 | 0 | 0 | 112.2 | E187 C192 G193 | E187-T189 VanDerWaalsContact C-N 3.28Å; E187-T189 PolarHBondContact O-N 3.42Å; E187-T189 VanDerWaalsContact O-N 3.15Å; T189-C192 PolarHBondContact O-N 2.83Å; T189-G193 PolarHBondContact O-N 3.29Å; T189-G193 VanDerWaalsContact O-N 3.08Å |
| 190 | T | 80.1 | Confident | 80.3 | Confident | 58 Ų | 58 | 37.3 Ų | 37.3 | 36% | 0.356 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -62.7 | -47.4 | 175.4 | 70.8 | 0 | 0 | 0 | 0 | 109.9 | E187 T188 C192 G193 L194 | E187-T190 PolarHBondContact O-N 3.29Å; E187-T190 PolarHBondContact O-OG1 3.14Å; T188-T190 VanDerWaalsContact C-N 3.34Å; T188-T190 PolarHBondContact O-N 3.36Å; T190-C192 PolarHBondContact O-N 3.04Å; T190-G193 PolarHBondContact O-N 3.35Å; T190-G193 VanDerWaalsContact O-N 3.14Å; T190-L194 VanDerWaalsContact O-CG 3.28Å; T190-L194 WeakPolarHBondContact O-CG 3.41Å; T190-L194 PolarHBondContact O-N 3.02Å |
| 191 | F | 79.7 | Confident | 79.8 | Confident | 1 Ų | 1 | 41.9 Ų | 41.9 | 0% | 0.004 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63.8 | -38.5 | 179.4 | -71.4 | -60 | 0 | 0 | 0 | 113.3 | M130 L158 M161 Y162 E187 T188 L194 L195 | M130-F191 HydrophobicContact CE-CE1 4.47Å; M130-F191 HydrophobicContact CE-CE2 3.76Å; M130-F191 HydrophobicContact CE-CZ 3.37Å; M130-F191 HydrophobicContact SD-CZ 4.16Å; L158-F191 HydrophobicContact CD1-CD1 3.74Å; L158-F191 HydrophobicContact CD1-CD2 4.47Å; L158-F191 HydrophobicContact CD1-CE1 3.31Å; L158-F191 HydrophobicContact CD1-CE2 4.06Å; L158-F191 HydrophobicContact CD1-CG 4.29Å; L158-F191 HydrophobicContact CD1-CZ 3.45Å; L158-F191 VanDerWaalsContact CD1-CZ 3.45Å; L158-F191 HydrophobicContact CD2-CD1 3.91Å; L158-F191 HydrophobicContact CD2-CE1 4.25Å; L158-F191 HydrophobicContact CD2-CG 4.46Å; L158-F191 HydrophobicContact CG-CE1 4.46Å; M161-F191 HydrophobicContact CE-CE2 4.18Å; M161-F191 HydrophobicContact CE-CZ 4.21Å; Y162-F191 HydrophobicContact CE2-CD2 4.18Å; Y162-F191 HydrophobicContact CE2-CE2 4.33Å; Y162-F191 WeakPolarHBondContact OH-CD2 3.3Å; E187-F191 HydrophobicContact CB-CD2 3.84Å; E187-F191 HydrophobicContact CB-CE2 3.56Å; E187-F191 HydrophobicContact CG-CE2 4.46Å; E187-F191 VanDerWaalsContact O-CD2 3.26Å; E187-F191 WeakPolarHBondContact O-CD2 3.42Å; E187-F191 PolarHBondContact O-N 3.15Å; E187-F191 VanDerWaalsContact O-N 3.1Å; T188-F191 PolarHBondContact O-N 3.05Å; F191-L194 HydrophobicContact CD1-CD1 4.21Å; F191-L194 PolarHBondContact O-N 2.86Å; F191-L195 WeakPolarHBondContact O-CB 3.17Å; F191-L195 WeakPolarHBondContact O-CD1 3.22Å; F191-L195 VanDerWaalsContact O-CG 3.29Å; F191-L195 WeakPolarHBondContact O-CG 3.26Å; F191-L195 PolarHBondContact O-N 3.48Å |
| 192 | C | 80.5 | Confident | 79 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -59.7 | -45.9 | 172.1 | -71.6 | 0 | 0 | 0 | 0 | 111.7 | T188 T189 T190 L194 L195 C196 L280 I284 | T188-C192 PolarHBondContact O-N 3.38Å; T188-C192 PolarHBondContact O-SG 3.46Å; T189-C192 PolarHBondContact O-N 2.83Å; T190-C192 PolarHBondContact O-N 3.04Å; C192-L194 VanDerWaalsContact C-N 3.26Å; C192-L194 PolarHBondContact O-N 3.05Å; C192-L195 WeakPolarHBondContact O-CB 3.3Å; C192-L195 PolarHBondContact O-N 2.91Å; C192-C196 PolarHBondContact O-N 2.83Å; C192-C196 PolarHBondContact O-SG 3.32Å; C192-C196 VanDerWaalsContact O-SG 3.33Å; C192-L280 HydrophobicContact CB-CD2 4.15Å; C192-I284 HydrophobicContact CB-CD1 4Å |
| 193 | G | 79.1 | Confident | 78.1 | Confident | 27 Ų | 27 | 36.9 Ų | 36.9 | 28% | 0.278 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -61.9 | -34.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113 | T189 T190 S197 | T189-G193 PolarHBondContact O-N 3.29Å; T189-G193 VanDerWaalsContact O-N 3.08Å; T190-G193 PolarHBondContact O-N 3.35Å; T190-G193 VanDerWaalsContact O-N 3.14Å; G193-S197 PolarHBondContact O-N 2.97Å; G193-S197 PolarHBondContact O-OG 3.17Å |
| 194 | L | 75.2 | Confident | 77 | Confident | 24 Ų | 24 | 36.5 Ų | 36.5 | 13% | 0.126 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -70.6 | -38.4 | 174.6 | -62.1 | 179.8 | 0 | 0 | 0 | 113 | F138 T190 F191 C192 C196 S197 F198 | F138-L194 HydrophobicContact CE1-CD2 3.57Å; F138-L194 HydrophobicContact CE2-CD1 3.84Å; F138-L194 HydrophobicContact CE2-CD2 3.63Å; F138-L194 HydrophobicContact CE2-CG 4.39Å; F138-L194 HydrophobicContact CZ-CD1 4.16Å; F138-L194 HydrophobicContact CZ-CD2 3.04Å; F138-L194 HydrophobicContact CZ-CG 4.21Å; T190-L194 VanDerWaalsContact O-CG 3.28Å; T190-L194 WeakPolarHBondContact O-CG 3.41Å; T190-L194 PolarHBondContact O-N 3.02Å; F191-L194 HydrophobicContact CD1-CD1 4.21Å; F191-L194 PolarHBondContact O-N 2.86Å; C192-L194 VanDerWaalsContact C-N 3.26Å; C192-L194 PolarHBondContact O-N 3.05Å; L194-C196 VanDerWaalsContact C-N 3.31Å; L194-S197 PolarHBondContact O-N 3.11Å; L194-S197 PolarHBondContact O-OG 3.17Å; L194-F198 VanDerWaalsContact O-CB 3.23Å; L194-F198 WeakPolarHBondContact O-CB 3.3Å; L194-F198 PolarHBondContact O-N 2.89Å |
| 195 | L | 78.7 | Confident | 75.8 | Confident | 7 Ų | 7 | 40.3 Ų | 40.3 | 4% | 0.037 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61.4 | -43.5 | 174.4 | -76.6 | 160.4 | 0 | 0 | 0 | 110.3 | W155 F191 C192 T199 C263 L267 | W155-L195 HydrophobicContact CE3-CD2 4.02Å; W155-L195 HydrophobicContact CH2-CD2 3.23Å; W155-L195 HydrophobicContact CH2-CG 3.68Å; W155-L195 HydrophobicContact CZ2-CD2 4.1Å; W155-L195 HydrophobicContact CZ3-CD2 3.17Å; W155-L195 HydrophobicContact CZ3-CG 3.77Å; F191-L195 WeakPolarHBondContact O-CB 3.17Å; F191-L195 WeakPolarHBondContact O-CD1 3.22Å; F191-L195 VanDerWaalsContact O-CG 3.29Å; F191-L195 WeakPolarHBondContact O-CG 3.26Å; F191-L195 PolarHBondContact O-N 3.48Å; C192-L195 WeakPolarHBondContact O-CB 3.3Å; C192-L195 PolarHBondContact O-N 2.91Å; L195-T199 WeakPolarHBondContact O-CB 3.39Å; L195-T199 VanDerWaalsContact O-CG2 3.3Å; L195-T199 WeakPolarHBondContact O-CG2 3.47Å; L195-T199 PolarHBondContact O-N 3.22Å; L195-T199 PolarHBondContact O-OG1 2.96Å; L195-C263 HydrophobicContact CD2-CB 4.44Å; L195-C263 WeakPolarHBondContact CD2-SG 3.49Å; L195-L267 HydrophobicContact CD1-CB 4.13Å; L195-L267 HydrophobicContact CD1-CD1 3.71Å |
| 196 | C | 78.5 | Confident | 74.5 | Confident | 2 Ų | 2 | 35.5 Ų | 35.5 | 1% | 0.014 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -63.4 | -45.2 | 175.9 | -65.4 | 0 | 0 | 0 | 0 | 112.8 | C192 L194 T199 S200 E283 L287 | C192-C196 PolarHBondContact O-N 2.83Å; C192-C196 PolarHBondContact O-SG 3.32Å; C192-C196 VanDerWaalsContact O-SG 3.33Å; L194-C196 VanDerWaalsContact C-N 3.31Å; C196-T199 PolarHBondContact O-OG1 3.32Å; C196-T199 VanDerWaalsContact O-OG1 3.08Å; C196-S200 WeakPolarHBondContact O-CB 3.33Å; C196-S200 PolarHBondContact O-N 3.41Å; C196-S200 PolarHBondContact O-OG 2.87Å; C196-E283 VanDerWaalsContact CB-CD 3.44Å; C196-E283 HydrophobicContact CB-CG 4.05Å; C196-E283 WeakPolarHBondContact CB-OE1 3.28Å; C196-L287 HydrophobicContact CB-CD1 4.05Å |
| 197 | S | 77.2 | Confident | 73.3 | Confident | 46 Ų | 46 | 34.4 Ų | 34.4 | 32% | 0.322 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -67.9 | -38.4 | 178.7 | 68.5 | 0 | 0 | 0 | 0 | 112.4 | G193 L194 S200 N201 | G193-S197 PolarHBondContact O-N 2.97Å; G193-S197 PolarHBondContact O-OG 3.17Å; L194-S197 PolarHBondContact O-N 3.11Å; L194-S197 PolarHBondContact O-OG 3.17Å; S197-S200 WeakPolarHBondContact CA-OG 3.4Å; S197-S200 PolarHBondContact O-OG 3.38Å; S197-N201 VanDerWaalsContact O-CB 3.31Å; S197-N201 WeakPolarHBondContact O-CB 3.45Å; S197-N201 PolarHBondContact O-N 3.25Å; S197-N201 PolarHBondContact O-ND2 3.5Å |
| 198 | F | 76.7 | Confident | 72.2 | Confident | 8 Ų | 8 | 32.4 Ų | 32.4 | 4% | 0.035 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -67.5 | -46.3 | 178.1 | 179.9 | -106 | 0 | 0 | 0 | 112.2 | S151 W155 L194 N201 L202 | S151-F198 WeakPolarHBondContact OG-CE2 3.48Å; S151-F198 WeakPolarHBondContact OG-CZ 3.13Å; W155-F198 AromaticContact CE2-CD1 3.8Å; W155-F198 AromaticContact CE2-CE1 3.89Å; W155-F198 HydrophobicContact CZ2-CB 3.96Å; W155-F198 AromaticContact CZ2-CD1 3.56Å; W155-F198 HydrophobicContact CZ2-CD1 3.56Å; W155-F198 HydrophobicContact CZ2-CD2 4.44Å; W155-F198 HydrophobicContact CZ2-CE1 4.14Å; W155-F198 AromaticContact CZ2-CG 3.73Å; W155-F198 HydrophobicContact CZ2-CG 3.73Å; W155-F198 AromaticContact NE1-CD1 3.58Å; W155-F198 AromaticContact NE1-CE1 3.19Å; W155-F198 AromaticContact NE1-CZ 3.47Å; L194-F198 VanDerWaalsContact O-CB 3.23Å; L194-F198 WeakPolarHBondContact O-CB 3.3Å; L194-F198 PolarHBondContact O-N 2.89Å; F198-N201 PolarHBondContact O-N 3.39Å; F198-L202 HydrophobicContact CD1-CD1 3.86Å; F198-L202 HydrophobicContact CD1-CG 4.39Å; F198-L202 HydrophobicContact CE1-CD1 3.21Å; F198-L202 HydrophobicContact CE1-CG 3.96Å; F198-L202 HydrophobicContact CE2-CD1 4.28Å; F198-L202 HydrophobicContact CE2-CD2 4.45Å; F198-L202 HydrophobicContact CE2-CG 4.18Å; F198-L202 HydrophobicContact CZ-CD1 3.46Å; F198-L202 VanDerWaalsContact CZ-CD1 3.46Å; F198-L202 HydrophobicContact CZ-CD2 4.15Å; F198-L202 HydrophobicContact CZ-CG 3.83Å; F198-L202 PolarHBondContact O-N 3.17Å |
| 199 | T | 76.6 | Confident | 71.4 | Confident | 4 Ų | 4 | 34.4 Ų | 34.4 | 3% | 0.025 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -65.4 | -41.6 | 179 | 49.6 | 0 | 0 | 0 | 0 | 111.8 | L195 C196 L202 C203 L260 L287 | L195-T199 WeakPolarHBondContact O-CB 3.39Å; L195-T199 VanDerWaalsContact O-CG2 3.3Å; L195-T199 WeakPolarHBondContact O-CG2 3.47Å; L195-T199 PolarHBondContact O-N 3.22Å; L195-T199 PolarHBondContact O-OG1 2.96Å; C196-T199 PolarHBondContact O-OG1 3.32Å; C196-T199 VanDerWaalsContact O-OG1 3.08Å; T199-L202 PolarHBondContact O-N 2.84Å; T199-C203 PolarHBondContact O-N 2.91Å; T199-C203 PolarHBondContact O-SG 3.32Å; T199-L260 HydrophobicContact CG2-CD2 4.45Å; T199-L287 VanDerWaalsContact OG1-CD1 3.27Å; T199-L287 WeakPolarHBondContact OG1-CD1 3.43Å; T199-L287 WeakPolarHBondContact OG1-CD2 3.4Å |
| 200 | S | 73.4 | Confident | 71.1 | Confident | 32 Ų | 32 | 37 Ų | 37 | 22% | 0.224 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -63.9 | -39 | 174.1 | 54.8 | 0 | 0 | 0 | 0 | 112.7 | C196 S197 C203 G204 | C196-S200 WeakPolarHBondContact O-CB 3.33Å; C196-S200 PolarHBondContact O-N 3.41Å; C196-S200 PolarHBondContact O-OG 2.87Å; S197-S200 WeakPolarHBondContact CA-OG 3.4Å; S197-S200 PolarHBondContact O-OG 3.38Å; S200-C203 PolarHBondContact O-N 2.97Å; S200-G204 PolarHBondContact O-N 3.5Å |
| 201 | N | 74.2 | Confident | 71 | Confident | 96 Ų | 96 | 34.6 Ų | 34.6 | 51% | 0.513 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -67 | -41.9 | 175.7 | -74.5 | -14.5 | 0 | 0 | 0 | 113 | S141 S197 F198 C203 G204 | S141-N201 WeakPolarHBondContact OG-CB 3.25Å; S197-N201 VanDerWaalsContact O-CB 3.31Å; S197-N201 WeakPolarHBondContact O-CB 3.45Å; S197-N201 PolarHBondContact O-N 3.25Å; S197-N201 PolarHBondContact O-ND2 3.5Å; F198-N201 PolarHBondContact O-N 3.39Å; N201-C203 PolarHBondContact O-N 3.45Å; N201-G204 PolarHBondContact O-N 3.24Å |
| 202 | L | 69.3 | Low | 70.9 | Confident | 24 Ų | 24 | 35.8 Ų | 35.8 | 13% | 0.126 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -60.5 | -31 | 175.9 | -81.1 | -179.2 | 0 | 0 | 0 | 112.2 | F198 T199 G204 L260 | F198-L202 HydrophobicContact CD1-CD1 3.86Å; F198-L202 HydrophobicContact CD1-CG 4.39Å; F198-L202 HydrophobicContact CE1-CD1 3.21Å; F198-L202 HydrophobicContact CE1-CG 3.96Å; F198-L202 HydrophobicContact CE2-CD1 4.28Å; F198-L202 HydrophobicContact CE2-CD2 4.45Å; F198-L202 HydrophobicContact CE2-CG 4.18Å; F198-L202 HydrophobicContact CZ-CD1 3.46Å; F198-L202 VanDerWaalsContact CZ-CD1 3.46Å; F198-L202 HydrophobicContact CZ-CD2 4.15Å; F198-L202 HydrophobicContact CZ-CG 3.83Å; F198-L202 PolarHBondContact O-N 3.17Å; T199-L202 PolarHBondContact O-N 2.84Å; L202-G204 VanDerWaalsContact C-N 3.32Å; L202-L260 HydrophobicContact CD1-CD2 3.81Å; L202-L260 HydrophobicContact CD1-CG 4.25Å |
| 203 | C | 66.4 | Low | 70.8 | Confident | 8 Ų | 8 | 40.4 Ų | 40.4 | 5% | 0.054 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79 | -10.7 | 176.5 | -64.8 | 0 | 0 | 0 | 0 | 113.9 | T199 S200 N201 G205 V206 C208 F241 | T199-C203 PolarHBondContact O-N 2.91Å; T199-C203 PolarHBondContact O-SG 3.32Å; S200-C203 PolarHBondContact O-N 2.97Å; N201-C203 PolarHBondContact O-N 3.45Å; C203-G205 PolarHBondContact O-N 3.27Å; C203-V206 PolarHBondContact O-N 3.2Å; C203-V206 VanDerWaalsContact O-N 3.07Å; C203-V206 VanDerWaalsContact O-O 3.11Å; C203-C208 HydrophobicContact CB-CB 3.52Å; C203-C208 WeakPolarHBondContact CB-SG 3.22Å; C203-F241 HydrophobicContact CB-CE2 4.03Å; C203-F241 HydrophobicContact CB-CZ 4.26Å; C203-F241 WeakPolarHBondContact SG-CZ 3.38Å |
| 204 | G | 58.4 | Low | 70.9 | Confident | 53 Ų | 53 | 41.2 Ų | 41.2 | 55% | 0.546 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -9.1 | -168.3 | 0 | 0 | 0 | 0 | 0 | 116.7 | S200 N201 L202 V206 | S200-G204 PolarHBondContact O-N 3.5Å; N201-G204 PolarHBondContact O-N 3.24Å; L202-G204 VanDerWaalsContact C-N 3.32Å; G204-V206 CarbonylContact C-O 3.48Å; G204-V206 PolarHBondContact O-N 3.32Å |
| 205 | G | 59.3 | Low | 71.1 | Confident | 85 Ų | 85 | 40 Ų | 40 | 88% | 0.876 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | -20.3 | 171 | 0 | 0 | 0 | 0 | 0 | 113.8 | C203 | C203-G205 PolarHBondContact O-N 3.27Š|
| 206 | V | 55 | Low | 71.2 | Confident | 32 Ų | 32 | 43 Ų | 43 | 19% | 0.194 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -113.3 | 155.9 | 171.5 | -173.9 | 0 | 0 | 0 | 0 | 106.4 | C203 G204 C208 V240 F241 | C203-V206 PolarHBondContact O-N 3.2Å; C203-V206 VanDerWaalsContact O-N 3.07Å; C203-V206 VanDerWaalsContact O-O 3.11Å; G204-V206 CarbonylContact C-O 3.48Å; G204-V206 PolarHBondContact O-N 3.32Å; V206-C208 PolarHBondContact O-N 3.49Å; V206-V240 HydrophobicContact CG1-CG1 4.28Å; V206-V240 HydrophobicContact CG2-CG1 4.43Å; V206-F241 HydrophobicContact CG2-CD2 4.32Å |
| 207 | D | 57.1 | Low | 71 | Confident | 123 Ų | 123 | 46.1 Ų | 46.1 | 66% | 0.658 | 30% | 0.3 | S | S | * | . | trans | -59.8 | 67.9 | 175.6 | -70.1 | -35.8 | 0 | 0 | 0 | 111.9 | G209 N210 L211 | D207-G209 VanDerWaalsContact C-N 3.3Å; D207-G209 PolarHBondContact O-N 2.8Å; D207-N210 HydrophobicContact CB-CB 4.2Å; D207-N210 WeakPolarHBondContact CB-ND2 3.35Å; D207-N210 WeakPolarHBondContact O-CA 3.26Å; D207-N210 VanDerWaalsContact O-CB 3.25Å; D207-N210 WeakPolarHBondContact O-CB 3.13Å; D207-N210 PolarHBondContact O-N 2.87Å; D207-L211 PolarHBondContact O-N 3.32Å | ||
| 208 | C | 59.1 | Low | 70.9 | Confident | 13 Ų | 13 | 46.1 Ų | 46.1 | 9% | 0.088 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -67.8 | -33.3 | -168.8 | 178.5 | 0 | 0 | 0 | 0 | 111.1 | C203 V206 N210 L211 I212 | C203-C208 HydrophobicContact CB-CB 3.52Å; C203-C208 WeakPolarHBondContact CB-SG 3.22Å; V206-C208 PolarHBondContact O-N 3.49Å; C208-N210 PolarHBondContact O-N 2.9Å; C208-L211 CarbonylContact O-C 3.47Å; C208-L211 WeakPolarHBondContact O-CA 3.34Å; C208-L211 PolarHBondContact O-N 2.51Å; C208-I212 WeakPolarHBondContact O-CG1 3.24Å; C208-I212 PolarHBondContact O-N 3.23Å |
| 209 | G | 65.8 | Low | 70.9 | Confident | 43 Ų | 43 | 45.7 Ų | 45.7 | 44% | 0.443 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -54.1 | -36.1 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | D207 N213 | D207-G209 VanDerWaalsContact C-N 3.3Å; D207-G209 PolarHBondContact O-N 2.8Å; G209-N213 VanDerWaalsContact O-CB 3.32Å; G209-N213 WeakPolarHBondContact O-CB 3.44Å; G209-N213 PolarHBondContact O-N 3.11Å; G209-N213 VanDerWaalsContact O-N 3.14Å; G209-N213 PolarHBondContact O-ND2 3.42Å |
| 210 | N | 73.3 | Confident | 70.6 | Confident | 92 Ų | 92 | 49.4 Ų | 49.4 | 49% | 0.492 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -70.8 | -40.9 | 173.9 | -63.8 | -19 | 0 | 0 | 0 | 111.1 | D207 C208 N213 L214 | D207-N210 HydrophobicContact CB-CB 4.2Å; D207-N210 WeakPolarHBondContact CB-ND2 3.35Å; D207-N210 WeakPolarHBondContact O-CA 3.26Å; D207-N210 VanDerWaalsContact O-CB 3.25Å; D207-N210 WeakPolarHBondContact O-CB 3.13Å; D207-N210 PolarHBondContact O-N 2.87Å; C208-N210 PolarHBondContact O-N 2.9Å; N210-N213 PolarHBondContact O-N 3.35Å; N210-L214 VanDerWaalsContact O-CB 3.24Å; N210-L214 WeakPolarHBondContact O-CB 3.39Å; N210-L214 WeakPolarHBondContact O-CD1 3.35Å; N210-L214 WeakPolarHBondContact O-CG 3.29Å; N210-L214 PolarHBondContact O-N 3.3Å |
| 211 | L | 77.5 | Confident | 70.1 | Confident | 6 Ų | 6 | 49.7 Ų | 49.7 | 3% | 0.031 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -67.2 | -39.9 | -179.4 | -167.7 | 142.3 | 0 | 0 | 0 | 113 | D207 C208 L214 S215 P237 L238 F241 I290 | D207-L211 PolarHBondContact O-N 3.32Å; C208-L211 CarbonylContact O-C 3.47Å; C208-L211 WeakPolarHBondContact O-CA 3.34Å; C208-L211 PolarHBondContact O-N 2.51Å; L211-L214 PolarHBondContact O-N 3.5Å; L211-S215 WeakPolarHBondContact O-CB 3.25Å; L211-S215 PolarHBondContact O-N 3Å; L211-S215 PolarHBondContact O-OG 3.28Å; L211-P237 HydrophobicContact CD1-CB 4Å; L211-L238 HydrophobicContact CD1-CB 4.41Å; L211-L238 HydrophobicContact CD1-CD1 4.48Å; L211-F241 HydrophobicContact CD1-CB 4.33Å; L211-I290 HydrophobicContact CD2-CB 4.19Å; L211-I290 HydrophobicContact CD2-CD1 3.38Å; L211-I290 HydrophobicContact CD2-CG1 3.53Å; L211-I290 HydrophobicContact CD2-CG2 3.57Å |
| 212 | I | 78.7 | Confident | 68.6 | Low | 27 Ų | 27 | 53.4 Ų | 53.4 | 14% | 0.138 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -65.1 | -45.5 | 173.7 | -65.5 | 171.4 | 0 | 0 | 0 | 110.2 | C208 L214 S215 Q216 I286 I290 | C208-I212 WeakPolarHBondContact O-CG1 3.24Å; C208-I212 PolarHBondContact O-N 3.23Å; I212-L214 PolarHBondContact O-N 2.77Å; I212-S215 WeakPolarHBondContact CA-OG 3.21Å; I212-S215 PolarHBondContact O-N 2.73Å; I212-S215 PolarHBondContact O-OG 3.27Å; I212-Q216 WeakPolarHBondContact O-CB 3.32Å; I212-Q216 PolarHBondContact O-N 2.89Å; I212-I286 HydrophobicContact CG2-CG2 4.03Å; I212-I290 HydrophobicContact CG1-CD1 4.2Å |
| 213 | N | 78.7 | Confident | 67.1 | Low | 97 Ų | 97 | 59.3 Ų | 59.3 | 52% | 0.519 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -64.9 | -39.9 | 177.6 | -70.7 | -20.5 | 0 | 0 | 0 | 112.1 | G209 N210 S217 | G209-N213 VanDerWaalsContact O-CB 3.32Å; G209-N213 WeakPolarHBondContact O-CB 3.44Å; G209-N213 PolarHBondContact O-N 3.11Å; G209-N213 VanDerWaalsContact O-N 3.14Å; G209-N213 PolarHBondContact O-ND2 3.42Å; N210-N213 PolarHBondContact O-N 3.35Å; N213-S217 WeakPolarHBondContact O-CB 3.36Å; N213-S217 PolarHBondContact O-N 3.48Å; N213-S217 PolarHBondContact O-OG 3.16Å |
| 214 | L | 79.5 | Confident | 65.8 | Low | 43 Ų | 43 | 64.8 Ų | 64.8 | 23% | 0.225 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -66.5 | -44.2 | 177.6 | -75.6 | 168 | 0 | 0 | 0 | 111.5 | N210 L211 I212 S217 Y218 L234 P237 | N210-L214 VanDerWaalsContact O-CB 3.24Å; N210-L214 WeakPolarHBondContact O-CB 3.39Å; N210-L214 WeakPolarHBondContact O-CD1 3.35Å; N210-L214 WeakPolarHBondContact O-CG 3.29Å; N210-L214 PolarHBondContact O-N 3.3Å; L211-L214 PolarHBondContact O-N 3.5Å; I212-L214 PolarHBondContact O-N 2.77Å; L214-S217 WeakPolarHBondContact CA-OG 3.43Å; L214-S217 PolarHBondContact O-N 3.37Å; L214-S217 PolarHBondContact O-OG 3.34Å; L214-Y218 WeakPolarHBondContact O-CB 3.34Å; L214-Y218 PolarHBondContact O-N 2.76Å; L214-L234 HydrophobicContact CB-CD1 4.03Å; L214-P237 HydrophobicContact CD1-CG 4.13Å |
| 215 | S | 80.5 | Confident | 65 | Low | 0 Ų | 0 | 70.1 Ų | 70.1 | 0% | 0 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -66.6 | -40.5 | 177 | 49 | 0 | 0 | 0 | 0 | 112 | L211 I212 S217 Y218 L219 I286 | L211-S215 WeakPolarHBondContact O-CB 3.25Å; L211-S215 PolarHBondContact O-N 3Å; L211-S215 PolarHBondContact O-OG 3.28Å; I212-S215 WeakPolarHBondContact CA-OG 3.21Å; I212-S215 PolarHBondContact O-N 2.73Å; I212-S215 PolarHBondContact O-OG 3.27Å; S215-S217 VanDerWaalsContact C-N 3.33Å; S215-S217 PolarHBondContact O-N 3.01Å; S215-Y218 WeakPolarHBondContact O-CB 3.07Å; S215-Y218 PolarHBondContact O-N 3.11Å; S215-L219 WeakPolarHBondContact O-CG 3.17Å; S215-L219 PolarHBondContact O-N 2.91Å; S215-I286 WeakPolarHBondContact OG-CG2 3.45Å |
| 216 | Q | 80.4 | Confident | 64.1 | Low | 68 Ų | 68 | 72.4 Ų | 72.4 | 32% | 0.318 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -59.7 | -44.5 | 170.8 | -171.9 | 175.5 | 7.4 | 0 | 0 | 111.5 | I212 Y218 L219 L220 I286 | I212-Q216 WeakPolarHBondContact O-CB 3.32Å; I212-Q216 PolarHBondContact O-N 2.89Å; Q216-Y218 VanDerWaalsContact C-N 3.28Å; Q216-Y218 PolarHBondContact O-N 3.15Å; Q216-L219 PolarHBondContact O-N 3.23Å; Q216-L220 HydrophobicContact CG-CD1 3.8Å; Q216-L220 HydrophobicContact CG-CG 4.47Å; Q216-L220 VanDerWaalsContact O-CB 3.32Å; Q216-L220 WeakPolarHBondContact O-CB 3.5Å; Q216-L220 WeakPolarHBondContact O-CG 3.48Å; Q216-L220 PolarHBondContact O-N 3.48Å; Q216-I286 HydrophobicContact CB-CD1 3.64Å; Q216-I286 HydrophobicContact CB-CG1 4.28Å; Q216-I286 HydrophobicContact CG-CD1 3.79Å |
| 217 | S | 75 | Confident | 63.7 | Low | 69 Ų | 69 | 76.4 Ų | 76.4 | 48% | 0.483 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -63.8 | -34.7 | 177.3 | 78.3 | 0 | 0 | 0 | 0 | 112.4 | N213 L214 S215 G221 | N213-S217 WeakPolarHBondContact O-CB 3.36Å; N213-S217 PolarHBondContact O-N 3.48Å; N213-S217 PolarHBondContact O-OG 3.16Å; L214-S217 WeakPolarHBondContact CA-OG 3.43Å; L214-S217 PolarHBondContact O-N 3.37Å; L214-S217 PolarHBondContact O-OG 3.34Å; S215-S217 VanDerWaalsContact C-N 3.33Å; S215-S217 PolarHBondContact O-N 3.01Å; S217-G221 PolarHBondContact O-N 2.71Å |
| 218 | Y | 75.3 | Confident | 63.4 | Low | 45 Ų | 45 | 77.4 Ų | 77.4 | 18% | 0.176 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -67.7 | -45.9 | 175.9 | -173.9 | -89.2 | 0 | 0 | 0 | 111.3 | L214 S215 Q216 G221 Q231 L234 F289 Q353 C357 | L214-Y218 WeakPolarHBondContact O-CB 3.34Å; L214-Y218 PolarHBondContact O-N 2.76Å; S215-Y218 WeakPolarHBondContact O-CB 3.07Å; S215-Y218 PolarHBondContact O-N 3.11Å; Q216-Y218 VanDerWaalsContact C-N 3.28Å; Q216-Y218 PolarHBondContact O-N 3.15Å; Y218-G221 PolarHBondContact O-N 3.01Å; Y218-Q231 HydrophobicContact CE2-CG 4.41Å; Y218-L234 HydrophobicContact CD2-CD2 4.32Å; Y218-L234 HydrophobicContact CG-CD2 4.21Å; Y218-F289 AromaticContact CD1-CE1 3.95Å; Y218-F289 HydrophobicContact CD1-CE1 3.95Å; Y218-F289 AromaticContact CD1-CZ 3.77Å; Y218-F289 HydrophobicContact CD1-CZ 3.77Å; Y218-F289 AromaticContact CE1-CZ 3.87Å; Y218-F289 HydrophobicContact CE1-CZ 3.87Å; Y218-Q353 PolarHBondContact O-OE1 2.88Å; Y218-C357 HydrophobicContact CE1-CB 4.09Å; Y218-C357 PolarHBondContact OH-SG 2.82Å |
| 219 | L | 75.6 | Confident | 62.9 | Low | 0 Ų | 0 | 83 Ų | 83 | 0% | 0 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -76.1 | -20.2 | -179.8 | -65.7 | 175.3 | 0 | 0 | 0 | 114.6 | S215 Q216 G221 I286 F289 F350 Q353 L354 | S215-L219 WeakPolarHBondContact O-CG 3.17Å; S215-L219 PolarHBondContact O-N 2.91Å; Q216-L219 PolarHBondContact O-N 3.23Å; L219-G221 VanDerWaalsContact C-N 3.29Å; L219-I286 HydrophobicContact CD1-CG1 4.2Å; L219-F289 HydrophobicContact CD1-CB 4.1Å; L219-F289 HydrophobicContact CD1-CD1 3.9Å; L219-F289 HydrophobicContact CD1-CG 4.15Å; L219-F289 HydrophobicContact CD2-CD1 4.12Å; L219-F289 HydrophobicContact CD2-CD2 4.48Å; L219-F289 HydrophobicContact CD2-CE1 4.2Å; L219-F289 HydrophobicContact CD2-CG 4.24Å; L219-F289 HydrophobicContact CD2-CZ 4.38Å; L219-F289 HydrophobicContact CG-CD1 4.03Å; L219-F289 HydrophobicContact CG-CE1 4.25Å; L219-F289 HydrophobicContact CG-CG 4.5Å; L219-F350 HydrophobicContact CB-CD1 3.49Å; L219-F350 VanDerWaalsContact CB-CD1 3.49Å; L219-F350 HydrophobicContact CB-CE1 3.8Å; L219-F350 HydrophobicContact CB-CG 4.27Å; L219-F350 HydrophobicContact CD1-CD1 3.89Å; L219-F350 HydrophobicContact CD1-CE1 4.47Å; L219-F350 HydrophobicContact CG-CD1 4.31Å; L219-Q353 HydrophobicContact CD2-CB 4.13Å; L219-Q353 PolarHBondContact O-OE1 3.19Å; L219-L354 HydrophobicContact CD2-CB 3.94Å |
| 220 | L | 71.3 | Confident | 62.2 | Low | 82 Ų | 82 | 84.4 Ų | 84.4 | 43% | 0.429 | 46% | 0.458 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | -7.4 | 170.8 | -82.7 | 166.5 | 0 | 0 | 0 | 112.6 | Q216 Q222 F350 | Q216-L220 HydrophobicContact CG-CD1 3.8Å; Q216-L220 HydrophobicContact CG-CG 4.47Å; Q216-L220 VanDerWaalsContact O-CB 3.32Å; Q216-L220 WeakPolarHBondContact O-CB 3.5Å; Q216-L220 WeakPolarHBondContact O-CG 3.48Å; Q216-L220 PolarHBondContact O-N 3.48Å; L220-Q222 VanDerWaalsContact C-N 3.28Å; L220-Q222 PolarHBondContact O-N 3.41Å; L220-F350 HydrophobicContact CD1-CZ 4.35Å; L220-F350 HydrophobicContact CD2-CE2 3.63Å; L220-F350 HydrophobicContact CD2-CZ 3.54Å; L220-F350 HydrophobicContact CG-CE1 4.29Å; L220-F350 HydrophobicContact CG-CE2 4.11Å; L220-F350 HydrophobicContact CG-CZ 3.53Å |
| 221 | G | 62 | Low | 61.4 | Low | 37 Ų | 37 | 81.5 Ų | 81.5 | 38% | 0.381 | 44% | 0.442 | S | S | . | . | trans | -51.6 | 84.1 | -166 | 0 | 0 | 0 | 0 | 0 | 113.8 | S217 Y218 L219 N223 Q353 | S217-G221 PolarHBondContact O-N 2.71Å; Y218-G221 PolarHBondContact O-N 3.01Å; L219-G221 VanDerWaalsContact C-N 3.29Å; G221-N223 PolarHBondContact O-N 3.31Å; G221-Q353 PolarHBondContact O-NE2 3.17Å | ||
| 222 | Q | 41.9 | Very low | 60.6 | Low | 174 Ų | 174 | 85.8 Ų | 85.8 | 81% | 0.813 | 46% | 0.461 | S | S | * | . | trans | -75.1 | 94.7 | 158.7 | -68.4 | 177 | 0 | 0 | 0 | 105.1 | L220 | L220-Q222 VanDerWaalsContact C-N 3.28Å; L220-Q222 PolarHBondContact O-N 3.41Å | ||
| 223 | N | 38.3 | Very low | 60.2 | Low | 148 Ų | 148 | 87.1 Ų | 87.1 | 79% | 0.791 | 47% | 0.473 | S | S | * | . | trans | 173.1 | 120.8 | 143.7 | -83.4 | -26.8 | 0 | 0 | 0 | 109.8 | G221 Q225 | G221-N223 PolarHBondContact O-N 3.31Å; N223-Q225 PolarHBondContact O-N 3.46Å | ||
| 224 | S | 40.3 | Very low | 60.1 | Low | 123 Ų | 123 | 82.7 Ų | 82.7 | 86% | 0.86 | 45% | 0.449 | S | S | * | . | S | Bend | trans | -64.5 | 23.2 | -174.1 | 42.4 | 0 | 0 | 0 | 0 | 116.1 | ||
| 225 | Q | 41.4 | Very low | 60.1 | Low | 166 Ų | 166 | 81.3 Ų | 81.3 | 78% | 0.776 | 44% | 0.441 | S | S | * | . | trans | -138.6 | 94.8 | 174.3 | -66.2 | -166.7 | -8.8 | 0 | 0 | 110.2 | N223 N227 | N223-Q225 PolarHBondContact O-N 3.46Å; Q225-N227 VanDerWaalsContact C-N 3.26Å; Q225-N227 PolarHBondContact O-N 2.93Å | ||
| 226 | L | 40.8 | Very low | 60 | Low | 133 Ų | 133 | 88.1 Ų | 88.1 | 70% | 0.696 | 47% | 0.473 | S | S | * | . | trans | -53 | 81.6 | 172 | -71.9 | 151.2 | 0 | 0 | 0 | 111.1 | Q228 | L226-Q228 PolarHBondContact O-N 2.77Š| ||
| 227 | N | 45.6 | Very low | 59.9 | Low | 115 Ų | 115 | 86.7 Ų | 86.7 | 62% | 0.615 | 47% | 0.469 | S | S | * | . | trans | -67.2 | 116.5 | 164.1 | -92.9 | -18.6 | 0 | 0 | 0 | 107.6 | Q225 N229 S230 | Q225-N227 VanDerWaalsContact C-N 3.26Å; Q225-N227 PolarHBondContact O-N 2.93Å; N227-N229 PolarHBondContact O-N 2.99Å; N227-S230 PolarHBondContact O-N 2.97Å; N227-S230 PolarHBondContact O-OG 2.96Å; N227-S230 VanDerWaalsContact O-OG 3.1Å | ||
| 228 | Q | 50.7 | Low | 60.2 | Low | 144 Ų | 144 | 83.5 Ų | 83.5 | 67% | 0.673 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -48 | -28.6 | 177.3 | -69 | 174.9 | -17.2 | 0 | 0 | 112.7 | L226 S230 Q231 H232 | L226-Q228 PolarHBondContact O-N 2.77Å; Q228-S230 PolarHBondContact O-N 3.21Å; Q228-Q231 PolarHBondContact O-N 2.72Å; Q228-H232 PolarHBondContact O-CD2 2.95Å; Q228-H232 PolarHBondContact O-N 3.21Å |
| 229 | N | 47.6 | Very low | 60.4 | Low | 132 Ų | 132 | 81.7 Ų | 81.7 | 71% | 0.706 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -64.1 | -33.9 | 180 | -63.2 | -7.8 | 0 | 0 | 0 | 114.4 | N227 | N227-N229 PolarHBondContact O-N 2.99Å |
| 230 | S | 51.7 | Low | 60.6 | Low | 71 Ų | 71 | 84.6 Ų | 84.6 | 50% | 0.497 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -79.2 | -24.9 | 179.3 | 60.9 | 0 | 0 | 0 | 0 | 112.7 | N227 Q228 S233 | N227-S230 PolarHBondContact O-N 2.97Å; N227-S230 PolarHBondContact O-OG 2.96Å; N227-S230 VanDerWaalsContact O-OG 3.1Å; Q228-S230 PolarHBondContact O-N 3.21Å; S230-S233 PolarHBondContact O-OG 3.44Å |
| 231 | Q | 57.4 | Low | 61.1 | Low | 31 Ų | 31 | 81.1 Ų | 81.1 | 15% | 0.145 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -67.3 | -41.9 | 173.6 | -66.5 | -171.6 | -25.5 | 0 | 0 | 110.7 | Y218 Q228 S233 L234 W235 | Y218-Q231 HydrophobicContact CE2-CG 4.41Å; Q228-Q231 PolarHBondContact O-N 2.72Å; Q231-S233 PolarHBondContact O-N 3.49Å; Q231-S233 VanDerWaalsContact O-N 3.14Å; Q231-L234 PolarHBondContact O-N 2.86Å; Q231-W235 VanDerWaalsContact C-CD1 3.45Å; Q231-W235 PolarHBondContact O-NE1 3.34Å |
| 232 | H | 60.6 | Low | 62.1 | Low | 96 Ų | 96 | 79.5 Ų | 79.5 | 44% | 0.444 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -60.5 | -25.4 | -177.7 | -79 | -60.7 | 0 | 0 | 0 | 114.5 | Q228 | Q228-H232 PolarHBondContact O-CD2 2.95Å; Q228-H232 PolarHBondContact O-N 3.21Å |
| 233 | S | 69.9 | Low | 63.8 | Low | 55 Ų | 55 | 74 Ų | 74 | 39% | 0.385 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -71.6 | -30.6 | -179.6 | 63.7 | 0 | 0 | 0 | 0 | 113.5 | S230 Q231 P237 | S230-S233 PolarHBondContact O-OG 3.44Å; Q231-S233 PolarHBondContact O-N 3.49Å; Q231-S233 VanDerWaalsContact O-N 3.14Å; S233-P237 WeakPolarHBondContact O-CD 3.47Å; S233-P237 WeakPolarHBondContact O-CG 3.38Å |
| 234 | L | 77 | Confident | 65.8 | Low | 4 Ų | 4 | 68.6 Ų | 68.6 | 2% | 0.021 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -79.5 | -40.3 | 177.9 | -177.8 | 71.1 | 0 | 0 | 0 | 111.9 | L214 Y218 Q231 P237 L238 F289 | L214-L234 HydrophobicContact CB-CD1 4.03Å; Y218-L234 HydrophobicContact CD2-CD2 4.32Å; Y218-L234 HydrophobicContact CG-CD2 4.21Å; Q231-L234 PolarHBondContact O-N 2.86Å; L234-P237 WeakPolarHBondContact O-CD 3.45Å; L234-L238 VanDerWaalsContact O-CB 3.31Å; L234-L238 WeakPolarHBondContact O-CB 3.48Å; L234-L238 PolarHBondContact O-N 2.86Å; L234-L238 VanDerWaalsContact O-N 3.16Å; L234-F289 HydrophobicContact CD2-CE1 3.98Å; L234-F289 HydrophobicContact CD2-CZ 4.27Å |
| 235 | W | 79.3 | Confident | 67.7 | Low | 14 Ų | 14 | 63 Ų | 63 | 5% | 0.053 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -67.4 | -40.9 | -169.6 | -60.7 | 126.4 | 0 | 0 | 0 | 113.5 | Q231 L238 L239 L293 L361 I366 L368 | Q231-W235 VanDerWaalsContact C-CD1 3.45Å; Q231-W235 PolarHBondContact O-NE1 3.34Å; W235-L238 HydrophobicContact CE3-CD2 3.82Å; W235-L238 HydrophobicContact CZ3-CD2 3.88Å; W235-L238 PolarHBondContact O-N 3.25Å; W235-L239 WeakPolarHBondContact O-CB 3.2Å; W235-L239 VanDerWaalsContact O-CG 3.23Å; W235-L239 WeakPolarHBondContact O-CG 3.11Å; W235-L239 PolarHBondContact O-N 3.04Å; W235-L293 HydrophobicContact CH2-CD2 4.3Å; W235-L293 HydrophobicContact CZ3-CD1 4.29Å; W235-L293 HydrophobicContact CZ3-CD2 4.27Å; W235-L361 HydrophobicContact CH2-CD1 4.09Å; W235-L361 HydrophobicContact CH2-CD2 3.99Å; W235-L361 HydrophobicContact CH2-CG 4.36Å; W235-L361 HydrophobicContact CZ3-CD1 4.48Å; W235-L361 HydrophobicContact CZ3-CD2 4.41Å; W235-I366 HydrophobicContact CH2-CG2 4.32Å; W235-I366 HydrophobicContact CZ2-CD1 4.25Å; W235-I366 HydrophobicContact CZ2-CG2 3.59Å; W235-L368 HydrophobicContact CB-CD2 4.16Å; W235-L368 HydrophobicContact CD2-CD2 3.22Å; W235-L368 HydrophobicContact CE3-CD1 4.38Å; W235-L368 HydrophobicContact CE3-CD2 3.37Å; W235-L368 HydrophobicContact CG-CD2 3.56Å; W235-L368 HydrophobicContact CH2-CD2 4.33Å; W235-L368 HydrophobicContact CZ2-CD2 4.22Å; W235-L368 HydrophobicContact CZ3-CD2 3.92Å |
| 236 | Q | 77.8 | Confident | 69.5 | Low | 144 Ų | 144 | 55.2 Ų | 55.2 | 67% | 0.673 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -66.1 | -48.9 | -177.3 | -176.9 | 178.8 | 1.8 | 0 | 0 | 112.3 | L238 L239 V240 | Q236-L238 VanDerWaalsContact C-N 3.32Å; Q236-L238 PolarHBondContact O-N 3.49Å; Q236-L239 PolarHBondContact O-N 2.81Å; Q236-V240 WeakPolarHBondContact O-CG2 3.42Å; Q236-V240 PolarHBondContact O-N 3.07Å; Q236-V240 VanDerWaalsContact O-N 3.09Å |
| 237 | P | 78.6 | Confident | 71.2 | Confident | 37 Ų | 37 | 50.8 Ų | 50.8 | 24% | 0.24 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -59.3 | -39.1 | 171.7 | -25.6 | 35.5 | 0 | 0 | 0 | 113.7 | L211 L214 S233 L234 V240 F241 | L211-P237 HydrophobicContact CD1-CB 4Å; L214-P237 HydrophobicContact CD1-CG 4.13Å; S233-P237 WeakPolarHBondContact O-CD 3.47Å; S233-P237 WeakPolarHBondContact O-CG 3.38Å; L234-P237 WeakPolarHBondContact O-CD 3.45Å; P237-V240 PolarHBondContact O-N 3.33Å; P237-F241 WeakPolarHBondContact O-CB 3.49Å; P237-F241 PolarHBondContact O-N 3.02Å |
| 238 | L | 82.2 | Confident | 72.7 | Confident | 2 Ų | 2 | 45.8 Ų | 45.8 | 1% | 0.01 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -64.1 | -43.6 | 178.6 | -175.6 | 76.3 | 0 | 0 | 0 | 112.1 | L211 L234 W235 Q236 F241 L242 I290 L293 I294 | L211-L238 HydrophobicContact CD1-CB 4.41Å; L211-L238 HydrophobicContact CD1-CD1 4.48Å; L234-L238 VanDerWaalsContact O-CB 3.31Å; L234-L238 WeakPolarHBondContact O-CB 3.48Å; L234-L238 PolarHBondContact O-N 2.86Å; L234-L238 VanDerWaalsContact O-N 3.16Å; W235-L238 HydrophobicContact CE3-CD2 3.82Å; W235-L238 HydrophobicContact CZ3-CD2 3.88Å; W235-L238 PolarHBondContact O-N 3.25Å; Q236-L238 VanDerWaalsContact C-N 3.32Å; Q236-L238 PolarHBondContact O-N 3.49Å; L238-F241 WeakPolarHBondContact O-CB 3.33Å; L238-F241 PolarHBondContact O-N 2.96Å; L238-L242 PolarHBondContact O-N 3.25Å; L238-I290 HydrophobicContact CD1-CG2 4.15Å; L238-L293 HydrophobicContact CD2-CB 3.93Å; L238-L293 HydrophobicContact CD2-CD1 3.92Å; L238-I294 HydrophobicContact CD1-CG1 4.35Å |
| 239 | L | 79.4 | Confident | 74 | Confident | 8 Ų | 8 | 39.1 Ų | 39.1 | 4% | 0.042 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -67.6 | -38.2 | 178.6 | -71.1 | 171.4 | 0 | 0 | 0 | 111.7 | W235 Q236 F241 L242 E243 A302 C303 I371 | W235-L239 WeakPolarHBondContact O-CB 3.2Å; W235-L239 VanDerWaalsContact O-CG 3.23Å; W235-L239 WeakPolarHBondContact O-CG 3.11Å; W235-L239 PolarHBondContact O-N 3.04Å; Q236-L239 PolarHBondContact O-N 2.81Å; L239-F241 VanDerWaalsContact C-N 3.31Å; L239-L242 PolarHBondContact O-N 2.98Å; L239-E243 WeakPolarHBondContact O-CB 3.18Å; L239-E243 PolarHBondContact O-N 2.87Å; L239-A302 HydrophobicContact CD2-CB 3.89Å; L239-C303 WeakPolarHBondContact CD2-SG 3.12Å; L239-I371 HydrophobicContact CB-CD1 3.98Å; L239-I371 HydrophobicContact CB-CG1 4.26Å; L239-I371 HydrophobicContact CD1-CG1 4.24Å |
| 240 | V | 79 | Confident | 75.2 | Confident | 60 Ų | 60 | 36.5 Ų | 36.5 | 36% | 0.364 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -62.8 | -40.3 | 172.2 | 172.1 | 0 | 0 | 0 | 0 | 110.9 | V206 Q236 P237 E243 S244 | V206-V240 HydrophobicContact CG1-CG1 4.28Å; V206-V240 HydrophobicContact CG2-CG1 4.43Å; Q236-V240 WeakPolarHBondContact O-CG2 3.42Å; Q236-V240 PolarHBondContact O-N 3.07Å; Q236-V240 VanDerWaalsContact O-N 3.09Å; P237-V240 PolarHBondContact O-N 3.33Å; V240-E243 PolarHBondContact O-N 3.19Å; V240-S244 PolarHBondContact O-N 2.68Å |
| 241 | F | 82.2 | Confident | 76.3 | Confident | 9 Ų | 9 | 37.9 Ų | 37.9 | 4% | 0.039 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -64.7 | -42.2 | 174.9 | -179.3 | -121 | 0 | 0 | 0 | 111.9 | C203 V206 L211 P237 L238 L239 E243 S244 L245 F291 I294 | C203-F241 HydrophobicContact CB-CE2 4.03Å; C203-F241 HydrophobicContact CB-CZ 4.26Å; C203-F241 WeakPolarHBondContact SG-CZ 3.38Å; V206-F241 HydrophobicContact CG2-CD2 4.32Å; L211-F241 HydrophobicContact CD1-CB 4.33Å; P237-F241 WeakPolarHBondContact O-CB 3.49Å; P237-F241 PolarHBondContact O-N 3.02Å; L238-F241 WeakPolarHBondContact O-CB 3.33Å; L238-F241 PolarHBondContact O-N 2.96Å; L239-F241 VanDerWaalsContact C-N 3.31Å; F241-E243 VanDerWaalsContact C-N 3.34Å; F241-E243 PolarHBondContact O-N 3.45Å; F241-S244 WeakPolarHBondContact O-CB 3.07Å; F241-S244 PolarHBondContact O-N 2.9Å; F241-S244 VanDerWaalsContact O-N 3.16Å; F241-S244 PolarHBondContact O-OG 3.21Å; F241-L245 HydrophobicContact CD1-CD1 4.29Å; F241-L245 HydrophobicContact CE1-CD1 3.75Å; F241-L245 HydrophobicContact CE1-CG 4.42Å; F241-L245 HydrophobicContact CE2-CD1 4.49Å; F241-L245 HydrophobicContact CE2-CD2 4.5Å; F241-L245 HydrophobicContact CE2-CG 4.3Å; F241-L245 HydrophobicContact CZ-CD1 3.85Å; F241-L245 HydrophobicContact CZ-CD2 4.28Å; F241-L245 HydrophobicContact CZ-CG 4.1Å; F241-L245 PolarHBondContact O-N 2.87Å; F241-L245 VanDerWaalsContact O-N 3.07Å; F241-F291 AromaticContact CE1-CE1 3.87Å; F241-F291 HydrophobicContact CE1-CE1 3.87Å; F241-F291 HydrophobicContact CE1-CZ 4.22Å; F241-F291 HydrophobicContact CZ-CE1 4.01Å; F241-F291 HydrophobicContact CZ-CZ 4.19Å; F241-I294 HydrophobicContact CD1-CD1 3.59Å; F241-I294 HydrophobicContact CE1-CD1 3.39Å |
| 242 | L | 82.2 | Confident | 76.9 | Confident | 3 Ų | 3 | 38.7 Ų | 38.7 | 2% | 0.016 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62.8 | -40.6 | 175.4 | -165.6 | 157.8 | 0 | 0 | 0 | 111.7 | L238 L239 S244 L245 A246 I294 C299 L300 C303 L320 | L238-L242 PolarHBondContact O-N 3.25Å; L239-L242 PolarHBondContact O-N 2.98Å; L242-S244 VanDerWaalsContact C-N 3.29Å; L242-S244 PolarHBondContact O-N 3.47Å; L242-L245 PolarHBondContact O-N 3.25Å; L242-A246 WeakPolarHBondContact O-CB 3.4Å; L242-A246 PolarHBondContact O-N 3.24Å; L242-I294 HydrophobicContact CD1-CB 4.46Å; L242-I294 HydrophobicContact CD1-CG2 4.05Å; L242-I294 HydrophobicContact CG-CG2 4.14Å; L242-C299 HydrophobicContact CD1-CB 4.1Å; L242-L300 HydrophobicContact CD1-CD2 4.43Å; L242-C303 HydrophobicContact CD2-CB 3.42Å; L242-C303 VanDerWaalsContact CD2-CB 3.42Å; L242-C303 WeakPolarHBondContact CD2-SG 3.19Å; L242-C303 HydrophobicContact CG-CB 4.47Å; L242-L320 HydrophobicContact CD2-CD1 4.26Å |
| 243 | E | 78 | Confident | 77.4 | Confident | 58 Ų | 58 | 38.1 Ų | 38.1 | 27% | 0.271 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -60.8 | -38.1 | 174 | -171.6 | 175.3 | -168.4 | 0 | 0 | 111.7 | L239 V240 F241 A246 S247 I308 | L239-E243 WeakPolarHBondContact O-CB 3.18Å; L239-E243 PolarHBondContact O-N 2.87Å; V240-E243 PolarHBondContact O-N 3.19Å; F241-E243 VanDerWaalsContact C-N 3.34Å; F241-E243 PolarHBondContact O-N 3.45Å; E243-A246 PolarHBondContact O-N 3.12Å; E243-S247 WeakPolarHBondContact O-CB 3.34Å; E243-S247 PolarHBondContact O-N 2.99Å; E243-I308 HydrophobicContact CG-CD1 4.01Å; E243-I308 WeakPolarHBondContact OE1-CD1 3.5Å |
| 244 | S | 79.2 | Confident | 77.7 | Confident | 35 Ų | 35 | 35.5 Ų | 35.5 | 25% | 0.245 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63.1 | -44.8 | 174.1 | 82 | 0 | 0 | 0 | 0 | 112.2 | V240 F241 L242 S247 D248 | V240-S244 PolarHBondContact O-N 2.68Å; F241-S244 WeakPolarHBondContact O-CB 3.07Å; F241-S244 PolarHBondContact O-N 2.9Å; F241-S244 VanDerWaalsContact O-N 3.16Å; F241-S244 PolarHBondContact O-OG 3.21Å; L242-S244 VanDerWaalsContact C-N 3.29Å; L242-S244 PolarHBondContact O-N 3.47Å; S244-S247 PolarHBondContact O-N 3.43Å; S244-S247 PolarHBondContact O-OG 2.85Å; S244-D248 PolarHBondContact O-N 3.46Å |
| 245 | L | 81.7 | Confident | 77.8 | Confident | 5 Ų | 5 | 35.7 Ų | 35.7 | 3% | 0.026 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -66.3 | -39.6 | 176.8 | -69.1 | 175 | 0 | 0 | 0 | 111.9 | F241 L242 S247 D248 C249 L260 I294 L320 | F241-L245 HydrophobicContact CD1-CD1 4.29Å; F241-L245 HydrophobicContact CE1-CD1 3.75Å; F241-L245 HydrophobicContact CE1-CG 4.42Å; F241-L245 HydrophobicContact CE2-CD1 4.49Å; F241-L245 HydrophobicContact CE2-CD2 4.5Å; F241-L245 HydrophobicContact CE2-CG 4.3Å; F241-L245 HydrophobicContact CZ-CD1 3.85Å; F241-L245 HydrophobicContact CZ-CD2 4.28Å; F241-L245 HydrophobicContact CZ-CG 4.1Å; F241-L245 PolarHBondContact O-N 2.87Å; F241-L245 VanDerWaalsContact O-N 3.07Å; L242-L245 PolarHBondContact O-N 3.25Å; L245-S247 VanDerWaalsContact C-N 3.33Å; L245-D248 WeakPolarHBondContact O-CB 3.41Å; L245-D248 PolarHBondContact O-N 3.5Å; L245-C249 PolarHBondContact O-N 3.48Å; L245-C249 PolarHBondContact O-SG 2.83Å; L245-L260 HydrophobicContact CD1-CD1 4.5Å; L245-L260 HydrophobicContact CD2-CD1 3.9Å; L245-I294 HydrophobicContact CD1-CD1 3.84Å; L245-I294 HydrophobicContact CD1-CG2 4.21Å; L245-L320 HydrophobicContact CB-CD2 4.01Å |
| 246 | A | 79.7 | Confident | 77.8 | Confident | 3 Ų | 3 | 37.4 Ų | 37.4 | 3% | 0.025 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -61.9 | -41.8 | 174 | 0 | 0 | 0 | 0 | 0 | 111.6 | L242 E243 D248 C249 L250 L312 | L242-A246 WeakPolarHBondContact O-CB 3.4Å; L242-A246 PolarHBondContact O-N 3.24Å; E243-A246 PolarHBondContact O-N 3.12Å; A246-D248 VanDerWaalsContact C-N 3.28Å; A246-D248 PolarHBondContact O-N 2.96Å; A246-C249 WeakPolarHBondContact O-CB 3.46Å; A246-C249 PolarHBondContact O-N 3.15Å; A246-L250 PolarHBondContact O-N 3.31Å; A246-L312 HydrophobicContact CB-CD1 3.98Å; A246-L312 HydrophobicContact CB-CD2 4.23Å |
| 247 | S | 76.1 | Confident | 78.1 | Confident | 41 Ų | 41 | 30.5 Ų | 30.5 | 29% | 0.287 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -63.9 | -33.2 | 175.4 | 81.2 | 0 | 0 | 0 | 0 | 112.4 | E243 S244 L245 L250 T251 | E243-S247 WeakPolarHBondContact O-CB 3.34Å; E243-S247 PolarHBondContact O-N 2.99Å; S244-S247 PolarHBondContact O-N 3.43Å; S244-S247 PolarHBondContact O-OG 2.85Å; L245-S247 VanDerWaalsContact C-N 3.33Å; S247-L250 PolarHBondContact O-N 3.4Å; S247-T251 WeakPolarHBondContact O-CB 3.39Å; S247-T251 WeakPolarHBondContact O-CG2 3.13Å; S247-T251 PolarHBondContact O-N 2.84Å; S247-T251 PolarHBondContact O-OG1 3.3Å |
| 248 | D | 77.1 | Confident | 78.4 | Confident | 10 Ų | 10 | 31.8 Ų | 31.8 | 5% | 0.053 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -70.7 | -32.8 | 173.8 | -78.5 | -55.8 | 0 | 0 | 0 | 113 | S244 L245 A246 L250 N252 G254 K256 | S244-D248 PolarHBondContact O-N 3.46Å; L245-D248 WeakPolarHBondContact O-CB 3.41Å; L245-D248 PolarHBondContact O-N 3.5Å; A246-D248 VanDerWaalsContact C-N 3.28Å; A246-D248 PolarHBondContact O-N 2.96Å; D248-L250 VanDerWaalsContact C-N 3.28Å; D248-L250 PolarHBondContact O-N 3.27Å; D248-N252 CarbonylContact O-C 3.6Å; D248-N252 WeakPolarHBondContact O-CA 3.36Å; D248-N252 WeakPolarHBondContact O-CB 3.27Å; D248-N252 PolarHBondContact O-N 3.33Å; D248-N252 PolarHBondContact OD1-ND2 2.97Å; D248-N252 VanDerWaalsContact OD1-ND2 3.07Å; D248-G254 PolarHBondContact O-N 2.9Å; D248-K256 HydrophobicContact CB-CD 4.48Å; D248-K256 WeakPolarHBondContact OD1-CE 3.14Å; D248-K256 IonicContact OD1-NZ 3.15Å; D248-K256 PolarHBondContact OD1-NZ 2.97Å; D248-K256 WeakPolarHBondContact OD2-CD 3.33Å; D248-K256 WeakPolarHBondContact OD2-CE 3.49Å; D248-K256 IonicContact OD2-NZ 2.79Å; D248-K256 PolarHBondContact OD2-NZ 3.4Å |
| 249 | C | 78.1 | Confident | 78.4 | Confident | 4 Ų | 4 | 31.7 Ų | 31.7 | 3% | 0.027 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -57.9 | -44.9 | 170.8 | -68.1 | 0 | 0 | 0 | 0 | 110.9 | L245 A246 S253 G254 C257 L312 D316 | L245-C249 PolarHBondContact O-N 3.48Å; L245-C249 PolarHBondContact O-SG 2.83Å; A246-C249 WeakPolarHBondContact O-CB 3.46Å; A246-C249 PolarHBondContact O-N 3.15Å; C249-S253 WeakPolarHBondContact O-CA 3.15Å; C249-S253 PolarHBondContact O-N 2.91Å; C249-G254 PolarHBondContact O-N 2.66Å; C249-C257 VanDerWaalsContact SG-SG 3.63Å; C249-L312 HydrophobicContact CB-CD2 4.15Å; C249-D316 HydrophobicContact CB-CB 3.98Å |
| 250 | L | 72.3 | Confident | 78.7 | Confident | 76 Ų | 76 | 31.5 Ų | 31.5 | 40% | 0.398 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -72.2 | -42.8 | -179.4 | -65.2 | 172.6 | 0 | 0 | 0 | 113.4 | A246 S247 D248 I308 A311 L312 | A246-L250 PolarHBondContact O-N 3.31Å; S247-L250 PolarHBondContact O-N 3.4Å; D248-L250 VanDerWaalsContact C-N 3.28Å; D248-L250 PolarHBondContact O-N 3.27Å; L250-I308 HydrophobicContact CD1-CG2 3.94Å; L250-A311 HydrophobicContact CD1-CB 4.17Å; L250-A311 HydrophobicContact CD2-CB 4.34Å; L250-L312 HydrophobicContact CD1-CD2 4.4Å; L250-L312 HydrophobicContact CD2-CD2 4.16Å; L250-L312 HydrophobicContact CG-CD2 3.98Å |
| 251 | T | 74.6 | Confident | 79.2 | Confident | 101 Ų | 101 | 28.8 Ų | 28.8 | 62% | 0.62 | 16% | 0.162 | S | C | * | . | H | α-helix | trans | -87.6 | -41.8 | -172.2 | 53.9 | 0 | 0 | 0 | 0 | 113.2 | S247 | S247-T251 WeakPolarHBondContact O-CB 3.39Å; S247-T251 WeakPolarHBondContact O-CG2 3.13Å; S247-T251 PolarHBondContact O-N 2.84Å; S247-T251 PolarHBondContact O-OG1 3.3Å |
| 252 | N | 70.7 | Confident | 79.4 | Confident | 47 Ų | 47 | 28.5 Ų | 28.5 | 25% | 0.251 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -113.9 | 20 | -168.8 | -69.8 | -38.9 | 0 | 0 | 0 | 112.4 | L145 D248 G254 T255 | L145-N252 HydrophobicContact CD1-CB 4.19Å; D248-N252 CarbonylContact O-C 3.6Å; D248-N252 WeakPolarHBondContact O-CA 3.36Å; D248-N252 WeakPolarHBondContact O-CB 3.27Å; D248-N252 PolarHBondContact O-N 3.33Å; D248-N252 PolarHBondContact OD1-ND2 2.97Å; D248-N252 VanDerWaalsContact OD1-ND2 3.07Å; N252-G254 PolarHBondContact O-N 3.45Å; N252-G254 VanDerWaalsContact O-N 3.14Å; N252-T255 WeakPolarHBondContact O-CG2 3.4Å; N252-T255 PolarHBondContact O-N 3.31Å; N252-T255 PolarHBondContact O-OG1 3.38Å |
| 253 | S | 70.9 | Confident | 79.6 | Confident | 84 Ų | 84 | 28.5 Ų | 28.5 | 59% | 0.587 | 16% | 0.161 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.1 | 26 | -176.2 | 63.4 | 0 | 0 | 0 | 0 | 114.1 | C249 T255 | C249-S253 WeakPolarHBondContact O-CA 3.15Å; C249-S253 PolarHBondContact O-N 2.91Å; S253-T255 VanDerWaalsContact C-N 3.32Å; S253-T255 PolarHBondContact O-N 3.45Å |
| 254 | G | 76.7 | Confident | 80.1 | Confident | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 70.5 | 21.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | D248 C249 N252 K256 C257 Y258 | D248-G254 PolarHBondContact O-N 2.9Å; C249-G254 PolarHBondContact O-N 2.66Å; N252-G254 PolarHBondContact O-N 3.45Å; N252-G254 VanDerWaalsContact O-N 3.14Å; G254-K256 VanDerWaalsContact C-N 3.3Å; G254-K256 PolarHBondContact O-N 3.48Å; G254-C257 WeakPolarHBondContact O-CA 3.31Å; G254-C257 WeakPolarHBondContact O-CB 3.05Å; G254-C257 PolarHBondContact O-N 3.32Å; G254-Y258 WeakPolarHBondContact O-CD2 3.37Å; G254-Y258 PolarHBondContact O-N 3.06Å |
| 255 | T | 77.6 | Confident | 80.7 | Confident | 8 Ų | 8 | 26.2 Ų | 26.2 | 5% | 0.049 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -54.3 | -43.9 | 179.6 | 47.1 | 0 | 0 | 0 | 0 | 112.6 | L145 K149 N252 S253 C257 Y258 T259 | L145-T255 HydrophobicContact CD1-CG2 4.03Å; L145-T255 WeakPolarHBondContact CD1-OG1 3.37Å; K149-T255 HydrophobicContact CG-CG2 4.26Å; N252-T255 WeakPolarHBondContact O-CG2 3.4Å; N252-T255 PolarHBondContact O-N 3.31Å; N252-T255 PolarHBondContact O-OG1 3.38Å; S253-T255 VanDerWaalsContact C-N 3.32Å; S253-T255 PolarHBondContact O-N 3.45Å; T255-C257 VanDerWaalsContact C-N 3.34Å; T255-C257 PolarHBondContact O-N 2.88Å; T255-Y258 PolarHBondContact O-N 3.43Å; T255-T259 WeakPolarHBondContact O-CG2 3.38Å; T255-T259 PolarHBondContact O-N 2.91Å |
| 256 | K | 80.5 | Confident | 80.9 | Confident | 50 Ų | 50 | 26 Ų | 26 | 22% | 0.217 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -58 | -45.9 | 174.2 | -68.6 | -162.7 | -162.8 | 146.5 | 0 | 111.9 | I148 D248 G254 Y258 T259 L260 | I148-K256 HydrophobicContact CD1-CD 4.39Å; I148-K256 HydrophobicContact CD1-CG 3.96Å; I148-K256 HydrophobicContact CG2-CG 4.4Å; D248-K256 HydrophobicContact CB-CD 4.48Å; D248-K256 WeakPolarHBondContact OD1-CE 3.14Å; D248-K256 IonicContact OD1-NZ 3.15Å; D248-K256 PolarHBondContact OD1-NZ 2.97Å; D248-K256 WeakPolarHBondContact OD2-CD 3.33Å; D248-K256 WeakPolarHBondContact OD2-CE 3.49Å; D248-K256 IonicContact OD2-NZ 2.79Å; D248-K256 PolarHBondContact OD2-NZ 3.4Å; G254-K256 VanDerWaalsContact C-N 3.3Å; G254-K256 PolarHBondContact O-N 3.48Å; K256-Y258 PolarHBondContact O-N 3.16Å; K256-T259 PolarHBondContact O-N 3.07Å; K256-T259 VanDerWaalsContact O-N 3.11Å; K256-T259 PolarHBondContact O-OG1 2.62Å; K256-L260 WeakPolarHBondContact O-CG 3.24Å; K256-L260 PolarHBondContact O-N 3.39Å |
| 257 | C | 83.6 | Confident | 81.4 | Confident | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -63.6 | -42.1 | 178.5 | -66.3 | 0 | 0 | 0 | 0 | 112.2 | C249 G254 T255 T259 L260 I261 L319 I323 | C249-C257 VanDerWaalsContact SG-SG 3.63Å; G254-C257 WeakPolarHBondContact O-CA 3.31Å; G254-C257 WeakPolarHBondContact O-CB 3.05Å; G254-C257 PolarHBondContact O-N 3.32Å; T255-C257 VanDerWaalsContact C-N 3.34Å; T255-C257 PolarHBondContact O-N 2.88Å; C257-T259 VanDerWaalsContact C-N 3.31Å; C257-T259 PolarHBondContact O-N 3.43Å; C257-L260 PolarHBondContact O-N 3.06Å; C257-I261 WeakPolarHBondContact O-CD1 3.47Å; C257-I261 VanDerWaalsContact O-CG1 3.29Å; C257-I261 WeakPolarHBondContact O-CG1 3.22Å; C257-I261 PolarHBondContact O-N 3.38Å; C257-L319 HydrophobicContact CB-CD2 3.15Å; C257-L319 HydrophobicContact CB-CG 3.75Å; C257-I323 HydrophobicContact CB-CD1 3.75Å |
| 258 | Y | 83.8 | Confident | 81.9 | Confident | 63 Ų | 63 | 26.2 Ų | 26.2 | 25% | 0.247 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -59.6 | -40.3 | 171.1 | -76 | -67.6 | 0 | 0 | 0 | 112.3 | G254 T255 K256 L260 I261 E262 H315 L319 | G254-Y258 WeakPolarHBondContact O-CD2 3.37Å; G254-Y258 PolarHBondContact O-N 3.06Å; T255-Y258 PolarHBondContact O-N 3.43Å; K256-Y258 PolarHBondContact O-N 3.16Å; Y258-L260 VanDerWaalsContact C-N 3.31Å; Y258-L260 PolarHBondContact O-N 2.87Å; Y258-I261 PolarHBondContact O-N 2.61Å; Y258-E262 WeakPolarHBondContact O-CG 3.24Å; Y258-E262 PolarHBondContact O-N 3.28Å; Y258-H315 PolarHBondContact OH-CE1 3.1Å; Y258-L319 HydrophobicContact CD1-CD1 3.85Å; Y258-L319 HydrophobicContact CD2-CD1 4.3Å; Y258-L319 HydrophobicContact CE1-CD1 3.49Å; Y258-L319 VanDerWaalsContact CE1-CD1 3.49Å; Y258-L319 HydrophobicContact CE2-CD1 3.97Å; Y258-L319 HydrophobicContact CE2-CD2 4.46Å; Y258-L319 HydrophobicContact CG-CD1 4.24Å |
| 259 | T | 83.3 | Confident | 82.4 | Confident | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -63.8 | -38 | 176.8 | 69.9 | 0 | 0 | 0 | 0 | 112.4 | I148 L152 T255 K256 C257 C263 | I148-T259 HydrophobicContact CG2-CG2 3.46Å; I148-T259 VanDerWaalsContact CG2-CG2 3.46Å; L152-T259 HydrophobicContact CB-CG2 3.66Å; L152-T259 HydrophobicContact CD1-CG2 3.98Å; L152-T259 HydrophobicContact CD2-CG2 4.46Å; L152-T259 HydrophobicContact CG-CG2 4.23Å; T255-T259 WeakPolarHBondContact O-CG2 3.38Å; T255-T259 PolarHBondContact O-N 2.91Å; K256-T259 PolarHBondContact O-N 3.07Å; K256-T259 VanDerWaalsContact O-N 3.11Å; K256-T259 PolarHBondContact O-OG1 2.62Å; C257-T259 VanDerWaalsContact C-N 3.31Å; C257-T259 PolarHBondContact O-N 3.43Å; T259-C263 WeakPolarHBondContact O-CB 3.46Å; T259-C263 PolarHBondContact O-N 3.34Å |
| 260 | L | 85.6 | Confident | 82.8 | Confident | 4 Ų | 4 | 26.6 Ų | 26.6 | 2% | 0.021 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -68.6 | -43.5 | 176.6 | -71 | 168.6 | 0 | 0 | 0 | 111.7 | T199 L202 L245 K256 C257 Y258 E262 C263 F264 F291 I323 | T199-L260 HydrophobicContact CG2-CD2 4.45Å; L202-L260 HydrophobicContact CD1-CD2 3.81Å; L202-L260 HydrophobicContact CD1-CG 4.25Å; L245-L260 HydrophobicContact CD1-CD1 4.5Å; L245-L260 HydrophobicContact CD2-CD1 3.9Å; K256-L260 WeakPolarHBondContact O-CG 3.24Å; K256-L260 PolarHBondContact O-N 3.39Å; C257-L260 PolarHBondContact O-N 3.06Å; Y258-L260 VanDerWaalsContact C-N 3.31Å; Y258-L260 PolarHBondContact O-N 2.87Å; L260-E262 PolarHBondContact O-N 2.91Å; L260-C263 WeakPolarHBondContact O-CB 3.09Å; L260-C263 PolarHBondContact O-N 3.48Å; L260-F264 VanDerWaalsContact O-CD2 3.25Å; L260-F264 WeakPolarHBondContact O-CD2 3.31Å; L260-F264 PolarHBondContact O-N 3Å; L260-F291 HydrophobicContact CD1-CD1 4.35Å; L260-F291 HydrophobicContact CD1-CE1 3.6Å; L260-F291 HydrophobicContact CD1-CZ 4.34Å; L260-F291 HydrophobicContact CD2-CE1 3.72Å; L260-F291 HydrophobicContact CD2-CZ 3.7Å; L260-F291 HydrophobicContact CG-CE1 4.23Å; L260-I323 HydrophobicContact CB-CD1 4.44Å; L260-I323 HydrophobicContact CB-CG1 4.43Å; L260-I323 HydrophobicContact CD1-CD1 4.39Å |
| 261 | I | 88.5 | Confident | 83.3 | Confident | 3 Ų | 3 | 23 Ų | 23 | 2% | 0.015 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -56.8 | -51 | 176 | -68.8 | 158.9 | 0 | 0 | 0 | 110 | C257 Y258 C263 F264 E265 L319 L322 I323 T326 | C257-I261 WeakPolarHBondContact O-CD1 3.47Å; C257-I261 VanDerWaalsContact O-CG1 3.29Å; C257-I261 WeakPolarHBondContact O-CG1 3.22Å; C257-I261 PolarHBondContact O-N 3.38Å; Y258-I261 PolarHBondContact O-N 2.61Å; I261-C263 VanDerWaalsContact C-N 3.33Å; I261-C263 PolarHBondContact O-N 2.87Å; I261-F264 PolarHBondContact O-N 3.33Å; I261-E265 HydrophobicContact CG2-CG 4.34Å; I261-E265 WeakPolarHBondContact O-CG 3.49Å; I261-E265 PolarHBondContact O-N 3.33Å; I261-L319 HydrophobicContact CD1-CD1 3.65Å; I261-L319 HydrophobicContact CD1-CG 3.91Å; I261-L322 HydrophobicContact CD1-CB 4.19Å; I261-L322 HydrophobicContact CD1-CD2 3.9Å; I261-L322 HydrophobicContact CD1-CG 4.18Å; I261-L322 HydrophobicContact CG1-CD2 4.4Å; I261-L322 HydrophobicContact CG1-CG 4.29Å; I261-L322 HydrophobicContact CG2-CD2 3.99Å; I261-L322 HydrophobicContact CG2-CG 4.19Å; I261-I323 HydrophobicContact CD1-CG1 4.14Å; I261-I323 HydrophobicContact CG1-CG1 3.57Å; I261-T326 HydrophobicContact CG2-CG2 4.27Å |
| 262 | E | 86.6 | Confident | 83.7 | Confident | 4 Ų | 4 | 21.6 Ų | 21.6 | 2% | 0.019 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -67.7 | -33.7 | 180 | -64 | -62.6 | 152.9 | 0 | 0 | 113.2 | K108 L152 W155 Y156 Y258 L260 E265 C266 | K108-E262 WeakPolarHBondContact CE-OE1 3.33Å; K108-E262 IonicContact NZ-OE1 2.9Å; K108-E262 PolarHBondContact NZ-OE1 3.29Å; K108-E262 IonicContact NZ-OE2 3.49Å; L152-E262 HydrophobicContact CD1-CB 4.15Å; L152-E262 HydrophobicContact CD1-CG 3.75Å; W155-E262 HydrophobicContact CB-CB 4.24Å; Y156-E262 HydrophobicContact CD1-CG 3.91Å; Y156-E262 WeakPolarHBondContact CD1-OE2 3.35Å; Y156-E262 HydrophobicContact CE1-CB 4.42Å; Y156-E262 HydrophobicContact CE1-CG 3.39Å; Y156-E262 WeakPolarHBondContact CE1-OE2 3.41Å; Y258-E262 WeakPolarHBondContact O-CG 3.24Å; Y258-E262 PolarHBondContact O-N 3.28Å; L260-E262 PolarHBondContact O-N 2.91Å; E262-E265 PolarHBondContact O-N 3.38Å; E262-C266 WeakPolarHBondContact O-CB 3.46Å; E262-C266 PolarHBondContact O-N 3.08Å |
| 263 | C | 87 | Confident | 84.2 | Confident | 2 Ų | 2 | 20.1 Ų | 20.1 | 1% | 0.014 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -59.2 | -47.3 | 172.7 | 175.9 | 0 | 0 | 0 | 0 | 110.6 | L195 T259 L260 I261 C266 L267 | L195-C263 HydrophobicContact CD2-CB 4.44Å; L195-C263 WeakPolarHBondContact CD2-SG 3.49Å; T259-C263 WeakPolarHBondContact O-CB 3.46Å; T259-C263 PolarHBondContact O-N 3.34Å; L260-C263 WeakPolarHBondContact O-CB 3.09Å; L260-C263 PolarHBondContact O-N 3.48Å; I261-C263 VanDerWaalsContact C-N 3.33Å; I261-C263 PolarHBondContact O-N 2.87Å; C263-C266 PolarHBondContact O-N 3.32Å; C263-L267 WeakPolarHBondContact O-CB 3.43Å; C263-L267 PolarHBondContact O-N 2.81Å |
| 264 | F | 89.6 | Confident | 84.4 | Confident | 4 Ų | 4 | 16.5 Ų | 16.5 | 2% | 0.018 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -71.9 | -38.9 | 176.5 | -79.8 | -69.4 | 0 | 0 | 0 | 113.3 | L260 I261 C266 L267 H268 I288 F291 A327 C330 | L260-F264 VanDerWaalsContact O-CD2 3.25Å; L260-F264 WeakPolarHBondContact O-CD2 3.31Å; L260-F264 PolarHBondContact O-N 3Å; I261-F264 PolarHBondContact O-N 3.33Å; F264-C266 VanDerWaalsContact C-N 3.26Å; F264-C266 PolarHBondContact O-N 3.41Å; F264-L267 HydrophobicContact CD1-CD2 3.89Å; F264-L267 HydrophobicContact CE1-CD2 4.05Å; F264-L267 WeakPolarHBondContact O-CB 3.29Å; F264-L267 PolarHBondContact O-N 2.84Å; F264-L267 VanDerWaalsContact O-N 3.17Å; F264-H268 PolarHBondContact O-N 3.05Å; F264-I288 HydrophobicContact CE1-CG1 4.21Å; F264-F291 HydrophobicContact CE2-CB 3.6Å; F264-F291 HydrophobicContact CE2-CD1 4.03Å; F264-F291 AromaticContact CE2-CD2 3.55Å; F264-F291 HydrophobicContact CE2-CD2 3.55Å; F264-F291 HydrophobicContact CE2-CE2 4.19Å; F264-F291 AromaticContact CE2-CG 3.44Å; F264-F291 HydrophobicContact CE2-CG 3.44Å; F264-F291 VanDerWaalsContact CE2-CG 3.44Å; F264-F291 HydrophobicContact CZ-CB 3.68Å; F264-F291 AromaticContact CZ-CD2 3.37Å; F264-F291 HydrophobicContact CZ-CD2 3.37Å; F264-F291 HydrophobicContact CZ-CE2 4.15Å; F264-F291 AromaticContact CZ-CG 3.65Å; F264-F291 HydrophobicContact CZ-CG 3.65Å; F264-A327 HydrophobicContact CD1-CB 4.31Å; F264-A327 HydrophobicContact CE1-CB 4.32Å; F264-C330 PolarHBondContact O-SG 2.95Å |
| 265 | E | 90.1 | Very high | 83.9 | Confident | 42 Ų | 42 | 19.7 Ų | 19.7 | 20% | 0.196 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -61.8 | -37.5 | 172.8 | -72.2 | -176.8 | 171.4 | 0 | 0 | 111.4 | K159 I261 E262 H268 E269 T326 | K159-E265 HydrophobicContact CD-CB 3.98Å; K159-E265 IonicContact NZ-OE2 3.47Å; K159-E265 PolarHBondContact NZ-OE2 2.79Å; I261-E265 HydrophobicContact CG2-CG 4.34Å; I261-E265 WeakPolarHBondContact O-CG 3.49Å; I261-E265 PolarHBondContact O-N 3.33Å; E262-E265 PolarHBondContact O-N 3.38Å; E265-H268 WeakPolarHBondContact O-CB 3.23Å; E265-E269 PolarHBondContact O-N 3.46Å; E265-T326 HydrophobicContact CG-CG2 3.9Å |
| 266 | C | 87.7 | Confident | 83.3 | Confident | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -68.1 | -43.2 | 172.2 | -170.7 | 0 | 0 | 0 | 0 | 111.6 | W155 L158 K159 E262 C263 F264 H268 E269 V270 | W155-C266 HydrophobicContact CE3-CB 4.37Å; L158-C266 WeakPolarHBondContact CD2-SG 3.28Å; L158-C266 VanDerWaalsContact CG-SG 3.58Å; K159-C266 HydrophobicContact CB-CB 3.98Å; K159-C266 HydrophobicContact CG-CB 4.5Å; E262-C266 WeakPolarHBondContact O-CB 3.46Å; E262-C266 PolarHBondContact O-N 3.08Å; C263-C266 PolarHBondContact O-N 3.32Å; F264-C266 VanDerWaalsContact C-N 3.26Å; F264-C266 PolarHBondContact O-N 3.41Å; C266-H268 VanDerWaalsContact C-N 3.27Å; C266-H268 PolarHBondContact O-N 2.99Å; C266-E269 PolarHBondContact O-N 3.46Å; C266-E269 VanDerWaalsContact O-N 3.16Å; C266-V270 WeakPolarHBondContact O-CG2 3.41Å; C266-V270 PolarHBondContact O-N 3.33Å |
| 267 | L | 88.3 | Confident | 82.7 | Confident | 9 Ų | 9 | 23 Ų | 23 | 5% | 0.047 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -57.3 | -43.6 | 175.5 | 178.8 | 67.3 | 0 | 0 | 0 | 110.2 | L195 C263 F264 E269 V270 L271 I284 I288 C330 | L195-L267 HydrophobicContact CD1-CB 4.13Å; L195-L267 HydrophobicContact CD1-CD1 3.71Å; C263-L267 WeakPolarHBondContact O-CB 3.43Å; C263-L267 PolarHBondContact O-N 2.81Å; F264-L267 HydrophobicContact CD1-CD2 3.89Å; F264-L267 HydrophobicContact CE1-CD2 4.05Å; F264-L267 WeakPolarHBondContact O-CB 3.29Å; F264-L267 PolarHBondContact O-N 2.84Å; F264-L267 VanDerWaalsContact O-N 3.17Å; L267-E269 VanDerWaalsContact C-N 3.34Å; L267-E269 PolarHBondContact O-N 3.25Å; L267-V270 PolarHBondContact O-N 3.41Å; L267-L271 HydrophobicContact CD1-CD1 4.28Å; L267-L271 HydrophobicContact CD1-CD2 4.35Å; L267-L271 HydrophobicContact CD1-CG 4.02Å; L267-L271 HydrophobicContact CD2-CD1 4.35Å; L267-L271 HydrophobicContact CG-CD1 3.81Å; L267-L271 HydrophobicContact CG-CG 4.03Å; L267-L271 VanDerWaalsContact O-CB 3.28Å; L267-L271 WeakPolarHBondContact O-CB 3.17Å; L267-L271 WeakPolarHBondContact O-CG 3.39Å; L267-L271 PolarHBondContact O-N 3.45Å; L267-I284 HydrophobicContact CD2-CG2 4.14Å; L267-I288 HydrophobicContact CD2-CD1 4.48Å; L267-I288 HydrophobicContact CD2-CG1 4.45Å; L267-C330 HydrophobicContact CD2-CB 4.27Å |
| 268 | H | 88.4 | Confident | 81.9 | Confident | 40 Ų | 40 | 26 Ų | 26 | 19% | 0.185 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -54.5 | -46.7 | 175 | 173.5 | 69.2 | 0 | 0 | 0 | 112.1 | F264 E265 C266 L271 K272 T329 E333 | F264-H268 PolarHBondContact O-N 3.05Å; E265-H268 WeakPolarHBondContact O-CB 3.23Å; C266-H268 VanDerWaalsContact C-N 3.27Å; C266-H268 PolarHBondContact O-N 2.99Å; H268-L271 PolarHBondContact O-N 3.37Å; H268-K272 VanDerWaalsContact NE2-CE 3.31Å; H268-K272 WeakPolarHBondContact NE2-CE 3.48Å; H268-K272 PolarHBondContact NE2-NZ 3.42Å; H268-K272 PolarHBondContact O-N 2.94Å; H268-T329 PolarHBondContact ND1-O 2.6Å; H268-E333 IonicContact CE1-OE2 2.63Å; H268-E333 PolarHBondContact CE1-OE2 3.02Å; H268-E333 WeakPolarHBondContact ND1-CB 3.12Å; H268-E333 IonicContact ND1-OE2 2.67Å; H268-E333 IonicContact NE2-OE2 3.74Å |
| 269 | E | 87.2 | Confident | 81.3 | Confident | 22 Ų | 22 | 29.6 Ų | 29.6 | 10% | 0.103 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -68.2 | -37.8 | 176.4 | -65.3 | -57.8 | 141.9 | 0 | 0 | 113.3 | E163 E265 C266 L267 L271 K272 | E163-E269 HydrophobicContact CG-CG 3.95Å; E265-E269 PolarHBondContact O-N 3.46Å; C266-E269 PolarHBondContact O-N 3.46Å; C266-E269 VanDerWaalsContact O-N 3.16Å; L267-E269 VanDerWaalsContact C-N 3.34Å; L267-E269 PolarHBondContact O-N 3.25Å; E269-L271 VanDerWaalsContact C-N 3.32Å; E269-K272 WeakPolarHBondContact O-CB 3.39Å; E269-K272 PolarHBondContact O-N 3.02Å; E269-K272 IonicContact OE1-NZ 3.9Å; E269-K272 PolarHBondContact OE1-NZ 3.45Å; E269-K272 WeakPolarHBondContact OE2-CD 3.3Å; E269-K272 IonicContact OE2-NZ 3.15Å; E269-K272 PolarHBondContact OE2-NZ 3.3Å |
| 270 | V | 85.7 | Confident | 81 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -63.4 | -42.5 | 175.3 | 174.7 | 0 | 0 | 0 | 0 | 110.3 | Y162 T188 C266 L267 K272 L273 W274 | Y162-V270 HydrophobicContact CD1-CG2 4.24Å; Y162-V270 HydrophobicContact CD2-CG2 3.88Å; Y162-V270 HydrophobicContact CE1-CB 4.25Å; Y162-V270 HydrophobicContact CE1-CG1 4.41Å; Y162-V270 HydrophobicContact CE1-CG2 3.94Å; Y162-V270 HydrophobicContact CE2-CG2 3.55Å; Y162-V270 HydrophobicContact CG-CG2 4.22Å; T188-V270 HydrophobicContact CG2-CG1 4.12Å; C266-V270 WeakPolarHBondContact O-CG2 3.41Å; C266-V270 PolarHBondContact O-N 3.33Å; L267-V270 PolarHBondContact O-N 3.41Å; V270-K272 PolarHBondContact O-N 3.1Å; V270-L273 PolarHBondContact O-N 3.11Å; V270-W274 PolarHBondContact O-N 3.41Å |
| 271 | L | 84 | Confident | 80.8 | Confident | 1 Ų | 1 | 31.2 Ų | 31.2 | 1% | 0.005 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -60.2 | -29.6 | -179 | -76.6 | 173.5 | 0 | 0 | 0 | 111.5 | L267 H268 E269 L273 W274 C330 E333 L334 K337 | L267-L271 HydrophobicContact CD1-CD1 4.28Å; L267-L271 HydrophobicContact CD1-CD2 4.35Å; L267-L271 HydrophobicContact CD1-CG 4.02Å; L267-L271 HydrophobicContact CD2-CD1 4.35Å; L267-L271 HydrophobicContact CG-CD1 3.81Å; L267-L271 HydrophobicContact CG-CG 4.03Å; L267-L271 VanDerWaalsContact O-CB 3.28Å; L267-L271 WeakPolarHBondContact O-CB 3.17Å; L267-L271 WeakPolarHBondContact O-CG 3.39Å; L267-L271 PolarHBondContact O-N 3.45Å; H268-L271 PolarHBondContact O-N 3.37Å; E269-L271 VanDerWaalsContact C-N 3.32Å; L271-L273 VanDerWaalsContact C-N 3.27Å; L271-L273 PolarHBondContact O-N 2.73Å; L271-W274 HydrophobicContact CD2-CD2 4.45Å; L271-W274 HydrophobicContact CD2-CE3 3.67Å; L271-W274 HydrophobicContact CD2-CZ3 4.21Å; L271-W274 PolarHBondContact O-N 3.13Å; L271-C330 HydrophobicContact CD1-CB 3.77Å; L271-E333 HydrophobicContact CB-CG 4.16Å; L271-L334 HydrophobicContact CD1-CD1 4.25Å; L271-L334 HydrophobicContact CD1-CD2 4.47Å; L271-L334 HydrophobicContact CD1-CG 3.95Å; L271-L334 HydrophobicContact CD2-CD1 4.46Å; L271-L334 HydrophobicContact CD2-CD2 3.61Å; L271-L334 HydrophobicContact CD2-CG 4.03Å; L271-K337 WeakPolarHBondContact O-CE 3.15Å; L271-K337 PolarHBondContact O-NZ 3.3Å |
| 272 | K | 83.1 | Confident | 80.5 | Confident | 70 Ų | 70 | 32.2 Ų | 32.2 | 30% | 0.304 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -57.1 | -35.3 | 173.2 | -67.8 | 172.5 | -173.3 | 172.6 | 0 | 113.2 | L166 H268 E269 V270 E333 K337 | L166-K272 HydrophobicContact CD1-CB 4.21Å; L166-K272 HydrophobicContact CD1-CD 4.18Å; H268-K272 VanDerWaalsContact NE2-CE 3.31Å; H268-K272 WeakPolarHBondContact NE2-CE 3.48Å; H268-K272 PolarHBondContact NE2-NZ 3.42Å; H268-K272 PolarHBondContact O-N 2.94Å; E269-K272 WeakPolarHBondContact O-CB 3.39Å; E269-K272 PolarHBondContact O-N 3.02Å; E269-K272 IonicContact OE1-NZ 3.9Å; E269-K272 PolarHBondContact OE1-NZ 3.45Å; E269-K272 WeakPolarHBondContact OE2-CD 3.3Å; E269-K272 IonicContact OE2-NZ 3.15Å; E269-K272 PolarHBondContact OE2-NZ 3.3Å; V270-K272 PolarHBondContact O-N 3.1Å; K272-E333 HydrophobicContact CG-CG 4.13Å; K272-E333 WeakPolarHBondContact CG-OE1 3.43Å; K272-K337 VanDerWaalsContact C-NZ 3.28Å; K272-K337 WeakPolarHBondContact O-CE 3.32Å; K272-K337 PolarHBondContact O-NZ 3.22Å |
| 273 | L | 80.1 | Confident | 80.3 | Confident | 16 Ų | 16 | 35.7 Ų | 35.7 | 8% | 0.084 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -97.2 | -18.5 | -179.3 | -72.5 | 174.7 | 0 | 0 | 0 | 115 | Y162 L166 L184 T188 V270 L271 | Y162-L273 HydrophobicContact CD1-CD1 4.13Å; Y162-L273 HydrophobicContact CE1-CD1 4.09Å; L166-L273 HydrophobicContact CD2-CD1 3.62Å; L166-L273 HydrophobicContact CD2-CD2 3.51Å; L166-L273 HydrophobicContact CD2-CG 3.51Å; L166-L273 HydrophobicContact CG-CD1 4.06Å; L166-L273 HydrophobicContact CG-CG 4.31Å; L184-L273 HydrophobicContact CB-CD1 3.56Å; L184-L273 HydrophobicContact CD1-CD1 3.7Å; L184-L273 HydrophobicContact CG-CD1 4.32Å; T188-L273 HydrophobicContact CG2-CB 3.93Å; V270-L273 PolarHBondContact O-N 3.11Å; L271-L273 VanDerWaalsContact C-N 3.27Å; L271-L273 PolarHBondContact O-N 2.73Å |
| 274 | W | 74.6 | Confident | 80.1 | Confident | 9 Ų | 9 | 35.7 Ų | 35.7 | 3% | 0.034 | 19% | 0.192 | C | C | . | . | trans | -65 | 132.8 | -167.8 | -173.9 | 56.2 | 0 | 0 | 0 | 113.1 | V270 L271 G276 Q277 L280 L281 I284 L334 K337 | V270-W274 PolarHBondContact O-N 3.41Å; L271-W274 HydrophobicContact CD2-CD2 4.45Å; L271-W274 HydrophobicContact CD2-CE3 3.67Å; L271-W274 HydrophobicContact CD2-CZ3 4.21Å; L271-W274 PolarHBondContact O-N 3.13Å; W274-G276 VanDerWaalsContact C-N 3.3Å; W274-G276 PolarHBondContact O-N 2.97Å; W274-Q277 WeakPolarHBondContact CZ2-O 3.45Å; W274-L280 HydrophobicContact CZ2-CB 4.06Å; W274-L281 HydrophobicContact CH2-CB 3.73Å; W274-L281 HydrophobicContact CH2-CD1 3.73Å; W274-L281 HydrophobicContact CH2-CG 4.32Å; W274-L281 HydrophobicContact CZ3-CB 4.46Å; W274-L281 HydrophobicContact CZ3-CD1 3.57Å; W274-I284 HydrophobicContact CH2-CD1 4.02Å; W274-I284 HydrophobicContact CZ2-CD1 4.31Å; W274-I284 HydrophobicContact CZ3-CD1 4.28Å; W274-L334 HydrophobicContact CE3-CD2 4.22Å; W274-L334 HydrophobicContact CZ3-CD2 4.07Å; W274-K337 PolarHBondContact O-NZ 2.87Å | ||
| 275 | P | 66.3 | Low | 79.9 | Confident | 66 Ų | 66 | 35.6 Ų | 35.6 | 43% | 0.429 | 19% | 0.191 | S | C | . | . | trans | -77.6 | -2.5 | -179.2 | 29.1 | -36 | 0 | 0 | 0 | 115.4 | ||||
| 276 | G | 65.4 | Low | 79.7 | Confident | 27 Ų | 27 | 33.8 Ų | 33.8 | 28% | 0.278 | 18% | 0.183 | S | C | . | . | trans | 76.9 | 45.3 | 171.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | W274 | W274-G276 VanDerWaalsContact C-N 3.3Å; W274-G276 PolarHBondContact O-N 2.97Å | ||
| 277 | Q | 69.1 | Low | 79.7 | Confident | 100 Ų | 100 | 34.3 Ų | 34.3 | 47% | 0.467 | 19% | 0.185 | S | C | . | . | trans | -64.9 | 137.5 | 173.6 | -71.9 | -169 | -26.6 | 0 | 0 | 111.2 | W274 D279 L281 | W274-Q277 WeakPolarHBondContact CZ2-O 3.45Å; Q277-D279 PolarHBondContact O-N 2.98Å; Q277-L281 WeakPolarHBondContact O-CB 3.13Å; Q277-L281 PolarHBondContact O-N 3.4Å | ||
| 278 | P | 65.5 | Low | 79.6 | Confident | 64 Ų | 64 | 33.9 Ų | 33.9 | 42% | 0.416 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -68.2 | -31.8 | -169 | 26.4 | -35 | 0 | 0 | 0 | 114.1 | L281 | P278-L281 WeakPolarHBondContact O-CB 3.36Å; P278-L281 PolarHBondContact O-N 3.35Å |
| 279 | D | 72.4 | Confident | 79.6 | Confident | 138 Ų | 138 | 32 Ų | 32 | 74% | 0.738 | 17% | 0.174 | S | C | * | . | H | α-helix | trans | -66.9 | -49 | -171.9 | -59.1 | -20.6 | 0 | 0 | 0 | 112.1 | Q277 L281 | Q277-D279 PolarHBondContact O-N 2.98Å; D279-L281 VanDerWaalsContact C-N 3.31Å |
| 280 | L | 76.5 | Confident | 79.6 | Confident | 30 Ų | 30 | 31.1 Ų | 31.1 | 16% | 0.157 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -73.9 | -23.4 | 177.3 | -81.1 | 144.1 | 0 | 0 | 0 | 112.5 | C192 W274 V282 E283 I284 | C192-L280 HydrophobicContact CB-CD2 4.15Å; W274-L280 HydrophobicContact CZ2-CB 4.06Å; L280-V282 VanDerWaalsContact C-N 3.34Å; L280-V282 PolarHBondContact O-N 2.93Å; L280-E283 PolarHBondContact O-N 3.25Å; L280-I284 HydrophobicContact CB-CD1 4.39Å; L280-I284 WeakPolarHBondContact O-CB 3.47Å; L280-I284 WeakPolarHBondContact O-CD1 3.42Å; L280-I284 WeakPolarHBondContact O-CG1 3.42Å; L280-I284 PolarHBondContact O-N 2.94Å |
| 281 | L | 81.2 | Confident | 79.8 | Confident | 9 Ų | 9 | 31.1 Ų | 31.1 | 5% | 0.047 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -61.2 | -42.9 | -178 | -175.4 | 64.5 | 0 | 0 | 0 | 112.1 | W274 Q277 P278 D279 I284 L285 L334 L343 Q347 | W274-L281 HydrophobicContact CH2-CB 3.73Å; W274-L281 HydrophobicContact CH2-CD1 3.73Å; W274-L281 HydrophobicContact CH2-CG 4.32Å; W274-L281 HydrophobicContact CZ3-CB 4.46Å; W274-L281 HydrophobicContact CZ3-CD1 3.57Å; Q277-L281 WeakPolarHBondContact O-CB 3.13Å; Q277-L281 PolarHBondContact O-N 3.4Å; P278-L281 WeakPolarHBondContact O-CB 3.36Å; P278-L281 PolarHBondContact O-N 3.35Å; D279-L281 VanDerWaalsContact C-N 3.31Å; L281-I284 PolarHBondContact O-N 3.29Å; L281-L285 HydrophobicContact CD1-CD1 4.37Å; L281-L285 HydrophobicContact CD1-CG 4.47Å; L281-L285 HydrophobicContact CG-CD1 4.07Å; L281-L285 WeakPolarHBondContact O-CB 3.46Å; L281-L285 VanDerWaalsContact O-CG 3.24Å; L281-L285 WeakPolarHBondContact O-CG 3.43Å; L281-L285 PolarHBondContact O-N 3.25Å; L281-L334 HydrophobicContact CD1-CD2 4.34Å; L281-L343 HydrophobicContact CD1-CD1 4.05Å; L281-L343 HydrophobicContact CD2-CD1 3.87Å; L281-L343 HydrophobicContact CG-CD1 4.39Å; L281-Q347 HydrophobicContact CD2-CB 4.18Å; L281-Q347 HydrophobicContact CD2-CG 3.64Å; L281-Q347 HydrophobicContact CG-CG 4.31Å |
| 282 | V | 81 | Confident | 80 | Confident | 24 Ų | 24 | 31.1 Ų | 31.1 | 15% | 0.145 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -64.1 | -46.5 | -178.7 | 178 | 0 | 0 | 0 | 0 | 110.6 | L280 L285 I286 Q347 F350 | L280-V282 VanDerWaalsContact C-N 3.34Å; L280-V282 PolarHBondContact O-N 2.93Å; V282-L285 PolarHBondContact O-N 3.02Å; V282-I286 HydrophobicContact CG1-CD1 3.85Å; V282-I286 WeakPolarHBondContact O-CD1 3.45Å; V282-I286 VanDerWaalsContact O-CG1 3.27Å; V282-I286 WeakPolarHBondContact O-CG1 3.38Å; V282-I286 PolarHBondContact O-N 2.77Å; V282-Q347 HydrophobicContact CG2-CG 4.46Å; V282-Q347 VanDerWaalsContact CG2-NE2 3.32Å; V282-F350 HydrophobicContact CG1-CE1 3.84Å; V282-F350 HydrophobicContact CG1-CZ 3.96Å |
| 283 | E | 82.2 | Confident | 80.3 | Confident | 76 Ų | 76 | 27.8 Ų | 27.8 | 36% | 0.355 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -64.2 | -43.7 | -179.9 | -165.6 | 177 | -167.7 | 0 | 0 | 111.7 | C196 L280 L285 I286 L287 | C196-E283 VanDerWaalsContact CB-CD 3.44Å; C196-E283 HydrophobicContact CB-CG 4.05Å; C196-E283 WeakPolarHBondContact CB-OE1 3.28Å; L280-E283 PolarHBondContact O-N 3.25Å; E283-L285 VanDerWaalsContact C-N 3.35Å; E283-L285 PolarHBondContact O-N 3.14Å; E283-I286 PolarHBondContact O-N 3.41Å; E283-L287 HydrophobicContact CG-CD1 4.46Å; E283-L287 WeakPolarHBondContact O-CG 3.42Å; E283-L287 PolarHBondContact O-N 2.95Å |
| 284 | I | 84.6 | Confident | 80.4 | Confident | 3 Ų | 3 | 27 Ų | 27 | 2% | 0.015 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -60.5 | -44.3 | 175.1 | -68 | 165.9 | 0 | 0 | 0 | 110.8 | C192 L267 W274 L280 L281 I286 L287 I288 | C192-I284 HydrophobicContact CB-CD1 4Å; L267-I284 HydrophobicContact CD2-CG2 4.14Å; W274-I284 HydrophobicContact CH2-CD1 4.02Å; W274-I284 HydrophobicContact CZ2-CD1 4.31Å; W274-I284 HydrophobicContact CZ3-CD1 4.28Å; L280-I284 HydrophobicContact CB-CD1 4.39Å; L280-I284 WeakPolarHBondContact O-CB 3.47Å; L280-I284 WeakPolarHBondContact O-CD1 3.42Å; L280-I284 WeakPolarHBondContact O-CG1 3.42Å; L280-I284 PolarHBondContact O-N 2.94Å; L281-I284 PolarHBondContact O-N 3.29Å; I284-I286 VanDerWaalsContact C-N 3.33Å; I284-I286 PolarHBondContact O-N 3.26Å; I284-L287 PolarHBondContact O-N 2.92Å; I284-I288 HydrophobicContact CG2-CD1 3.62Å; I284-I288 HydrophobicContact CG2-CG1 4.24Å; I284-I288 WeakPolarHBondContact O-CB 3.21Å; I284-I288 VanDerWaalsContact O-CG1 3.24Å; I284-I288 WeakPolarHBondContact O-CG1 3.17Å; I284-I288 PolarHBondContact O-N 2.96Å |
| 285 | L | 85.1 | Confident | 80.7 | Confident | 1 Ų | 1 | 26.7 Ų | 26.7 | 1% | 0.005 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -64.2 | -37.9 | 178.4 | -74.9 | 172.2 | 0 | 0 | 0 | 112.2 | L281 V282 E283 F289 L331 L334 Q347 F350 V351 | L281-L285 HydrophobicContact CD1-CD1 4.37Å; L281-L285 HydrophobicContact CD1-CG 4.47Å; L281-L285 HydrophobicContact CG-CD1 4.07Å; L281-L285 WeakPolarHBondContact O-CB 3.46Å; L281-L285 VanDerWaalsContact O-CG 3.24Å; L281-L285 WeakPolarHBondContact O-CG 3.43Å; L281-L285 PolarHBondContact O-N 3.25Å; V282-L285 PolarHBondContact O-N 3.02Å; E283-L285 VanDerWaalsContact C-N 3.35Å; E283-L285 PolarHBondContact O-N 3.14Å; L285-F289 WeakPolarHBondContact O-CB 3.16Å; L285-F289 PolarHBondContact O-N 3.18Å; L285-L331 HydrophobicContact CD2-CD1 4.02Å; L285-L334 HydrophobicContact CD2-CD1 4.19Å; L285-Q347 HydrophobicContact CD1-CB 4.29Å; L285-F350 HydrophobicContact CD1-CB 4.19Å; L285-V351 HydrophobicContact CD1-CG2 4.4Å; L285-V351 HydrophobicContact CD2-CG2 4.43Å |
| 286 | I | 85.5 | Confident | 81.4 | Confident | 4 Ų | 4 | 23.6 Ų | 23.6 | 2% | 0.021 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -63.5 | -46.5 | 175.2 | -69.6 | 159.3 | 0 | 0 | 0 | 110.6 | I212 S215 Q216 L219 V282 E283 I284 F289 I290 | I212-I286 HydrophobicContact CG2-CG2 4.03Å; S215-I286 WeakPolarHBondContact OG-CG2 3.45Å; Q216-I286 HydrophobicContact CB-CD1 3.64Å; Q216-I286 HydrophobicContact CB-CG1 4.28Å; Q216-I286 HydrophobicContact CG-CD1 3.79Å; L219-I286 HydrophobicContact CD1-CG1 4.2Å; V282-I286 HydrophobicContact CG1-CD1 3.85Å; V282-I286 WeakPolarHBondContact O-CD1 3.45Å; V282-I286 VanDerWaalsContact O-CG1 3.27Å; V282-I286 WeakPolarHBondContact O-CG1 3.38Å; V282-I286 PolarHBondContact O-N 2.77Å; E283-I286 PolarHBondContact O-N 3.41Å; I284-I286 VanDerWaalsContact C-N 3.33Å; I284-I286 PolarHBondContact O-N 3.26Å; I286-F289 WeakPolarHBondContact O-CB 3.47Å; I286-F289 PolarHBondContact O-N 2.93Å; I286-I290 HydrophobicContact CG2-CD1 3.76Å; I286-I290 HydrophobicContact CG2-CG1 4.48Å; I286-I290 WeakPolarHBondContact O-CD1 3.19Å; I286-I290 VanDerWaalsContact O-CG1 3.3Å; I286-I290 WeakPolarHBondContact O-CG1 3.45Å; I286-I290 PolarHBondContact O-N 3.13Å |
| 287 | L | 86.5 | Confident | 82 | Confident | 11 Ų | 11 | 23 Ų | 23 | 6% | 0.058 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -63.1 | -46.9 | 177.3 | -69.4 | 166.2 | 0 | 0 | 0 | 111.2 | C196 T199 E283 I284 F289 I290 F291 | C196-L287 HydrophobicContact CB-CD1 4.05Å; T199-L287 VanDerWaalsContact OG1-CD1 3.27Å; T199-L287 WeakPolarHBondContact OG1-CD1 3.43Å; T199-L287 WeakPolarHBondContact OG1-CD2 3.4Å; E283-L287 HydrophobicContact CG-CD1 4.46Å; E283-L287 WeakPolarHBondContact O-CG 3.42Å; E283-L287 PolarHBondContact O-N 2.95Å; I284-L287 PolarHBondContact O-N 2.92Å; L287-F289 PolarHBondContact O-N 3.48Å; L287-I290 PolarHBondContact O-N 2.58Å; L287-F291 HydrophobicContact CD2-CE2 4.24Å; L287-F291 VanDerWaalsContact O-CD2 3.27Å; L287-F291 WeakPolarHBondContact O-CD2 3.36Å; L287-F291 PolarHBondContact O-N 3.01Å |
| 288 | I | 87.9 | Confident | 82.4 | Confident | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -55.4 | -43.3 | 174.2 | -72.6 | 171.1 | 0 | 0 | 0 | 110.4 | F264 L267 I284 S292 A327 C330 L331 L334 L354 | F264-I288 HydrophobicContact CE1-CG1 4.21Å; L267-I288 HydrophobicContact CD2-CD1 4.48Å; L267-I288 HydrophobicContact CD2-CG1 4.45Å; I284-I288 HydrophobicContact CG2-CD1 3.62Å; I284-I288 HydrophobicContact CG2-CG1 4.24Å; I284-I288 WeakPolarHBondContact O-CB 3.21Å; I284-I288 VanDerWaalsContact O-CG1 3.24Å; I284-I288 WeakPolarHBondContact O-CG1 3.17Å; I284-I288 PolarHBondContact O-N 2.96Å; I288-S292 WeakPolarHBondContact O-CB 3.3Å; I288-S292 PolarHBondContact O-N 3.22Å; I288-S292 PolarHBondContact O-OG 3.45Å; I288-A327 WeakPolarHBondContact CG2-O 3.36Å; I288-C330 HydrophobicContact CD1-CB 3.81Å; I288-C330 HydrophobicContact CG1-CB 4.19Å; I288-L331 HydrophobicContact CG2-CB 4Å; I288-L334 HydrophobicContact CD1-CD1 3.83Å; I288-L354 HydrophobicContact CG2-CD1 4.46Å |
| 289 | F | 88.6 | Confident | 83 | Confident | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -61.7 | -50.9 | 177.3 | 177.5 | -127 | 0 | 0 | 0 | 112.2 | Y218 L219 L234 L285 I286 L287 F291 S292 L293 L354 C357 | Y218-F289 AromaticContact CD1-CE1 3.95Å; Y218-F289 HydrophobicContact CD1-CE1 3.95Å; Y218-F289 AromaticContact CD1-CZ 3.77Å; Y218-F289 HydrophobicContact CD1-CZ 3.77Å; Y218-F289 AromaticContact CE1-CZ 3.87Å; Y218-F289 HydrophobicContact CE1-CZ 3.87Å; L219-F289 HydrophobicContact CD1-CB 4.1Å; L219-F289 HydrophobicContact CD1-CD1 3.9Å; L219-F289 HydrophobicContact CD1-CG 4.15Å; L219-F289 HydrophobicContact CD2-CD1 4.12Å; L219-F289 HydrophobicContact CD2-CD2 4.48Å; L219-F289 HydrophobicContact CD2-CE1 4.2Å; L219-F289 HydrophobicContact CD2-CG 4.24Å; L219-F289 HydrophobicContact CD2-CZ 4.38Å; L219-F289 HydrophobicContact CG-CD1 4.03Å; L219-F289 HydrophobicContact CG-CE1 4.25Å; L219-F289 HydrophobicContact CG-CG 4.5Å; L234-F289 HydrophobicContact CD2-CE1 3.98Å; L234-F289 HydrophobicContact CD2-CZ 4.27Å; L285-F289 WeakPolarHBondContact O-CB 3.16Å; L285-F289 PolarHBondContact O-N 3.18Å; I286-F289 WeakPolarHBondContact O-CB 3.47Å; I286-F289 PolarHBondContact O-N 2.93Å; L287-F289 PolarHBondContact O-N 3.48Å; F289-F291 PolarHBondContact O-N 3.18Å; F289-S292 WeakPolarHBondContact CA-OG 3.42Å; F289-S292 PolarHBondContact O-N 3.44Å; F289-S292 PolarHBondContact O-OG 2.9Å; F289-L293 HydrophobicContact CD1-CD1 4.3Å; F289-L293 HydrophobicContact CD2-CD1 4.02Å; F289-L293 HydrophobicContact CD2-CG 4.08Å; F289-L293 HydrophobicContact CE1-CD1 3.9Å; F289-L293 HydrophobicContact CE2-CD1 3.61Å; F289-L293 HydrophobicContact CE2-CD2 4.01Å; F289-L293 HydrophobicContact CE2-CG 3.87Å; F289-L293 HydrophobicContact CG-CD1 4.39Å; F289-L293 HydrophobicContact CZ-CD1 3.57Å; F289-L293 HydrophobicContact CZ-CG 4.33Å; F289-L293 VanDerWaalsContact O-CG 3.29Å; F289-L293 WeakPolarHBondContact O-CG 3.24Å; F289-L293 PolarHBondContact O-N 3.28Å; F289-L293 VanDerWaalsContact O-N 3.08Å; F289-L354 HydrophobicContact CB-CD1 3.9Å; F289-L354 HydrophobicContact CB-CG 4.01Å; F289-L354 HydrophobicContact CD2-CB 4.39Å; F289-L354 HydrophobicContact CD2-CD2 4.44Å; F289-L354 HydrophobicContact CD2-CG 3.73Å; F289-L354 HydrophobicContact CG-CG 4.21Å; F289-C357 HydrophobicContact CE2-CB 3.78Å; F289-C357 HydrophobicContact CZ-CB 4.17Å |
| 290 | I | 86.1 | Confident | 83.2 | Confident | 5 Ų | 5 | 11.5 Ų | 11.5 | 3% | 0.026 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -57.4 | -51 | -179.9 | -65.9 | 159.6 | 0 | 0 | 0 | 110.9 | L211 I212 L238 I286 L287 L293 I294 | L211-I290 HydrophobicContact CD2-CB 4.19Å; L211-I290 HydrophobicContact CD2-CD1 3.38Å; L211-I290 HydrophobicContact CD2-CG1 3.53Å; L211-I290 HydrophobicContact CD2-CG2 3.57Å; I212-I290 HydrophobicContact CG1-CD1 4.2Å; L238-I290 HydrophobicContact CD1-CG2 4.15Å; I286-I290 HydrophobicContact CG2-CD1 3.76Å; I286-I290 HydrophobicContact CG2-CG1 4.48Å; I286-I290 WeakPolarHBondContact O-CD1 3.19Å; I286-I290 VanDerWaalsContact O-CG1 3.3Å; I286-I290 WeakPolarHBondContact O-CG1 3.45Å; I286-I290 PolarHBondContact O-N 3.13Å; L287-I290 PolarHBondContact O-N 2.58Å; I290-L293 PolarHBondContact O-N 3.1Å; I290-I294 HydrophobicContact CG2-CD1 4.45Å; I290-I294 WeakPolarHBondContact O-CG1 3.5Å; I290-I294 PolarHBondContact O-N 3.46Å |
| 291 | F | 89 | Confident | 83 | Confident | 0 Ų | 0 | 12.1 Ų | 12.1 | 0% | 0 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -75.9 | -29.6 | -175.2 | -73.6 | -77.2 | 0 | 0 | 0 | 113.2 | F241 L260 F264 L287 F289 L293 I294 I323 G324 A327 | F241-F291 AromaticContact CE1-CE1 3.87Å; F241-F291 HydrophobicContact CE1-CE1 3.87Å; F241-F291 HydrophobicContact CE1-CZ 4.22Å; F241-F291 HydrophobicContact CZ-CE1 4.01Å; F241-F291 HydrophobicContact CZ-CZ 4.19Å; L260-F291 HydrophobicContact CD1-CD1 4.35Å; L260-F291 HydrophobicContact CD1-CE1 3.6Å; L260-F291 HydrophobicContact CD1-CZ 4.34Å; L260-F291 HydrophobicContact CD2-CE1 3.72Å; L260-F291 HydrophobicContact CD2-CZ 3.7Å; L260-F291 HydrophobicContact CG-CE1 4.23Å; F264-F291 HydrophobicContact CE2-CB 3.6Å; F264-F291 HydrophobicContact CE2-CD1 4.03Å; F264-F291 AromaticContact CE2-CD2 3.55Å; F264-F291 HydrophobicContact CE2-CD2 3.55Å; F264-F291 HydrophobicContact CE2-CE2 4.19Å; F264-F291 AromaticContact CE2-CG 3.44Å; F264-F291 HydrophobicContact CE2-CG 3.44Å; F264-F291 VanDerWaalsContact CE2-CG 3.44Å; F264-F291 HydrophobicContact CZ-CB 3.68Å; F264-F291 AromaticContact CZ-CD2 3.37Å; F264-F291 HydrophobicContact CZ-CD2 3.37Å; F264-F291 HydrophobicContact CZ-CE2 4.15Å; F264-F291 AromaticContact CZ-CG 3.65Å; F264-F291 HydrophobicContact CZ-CG 3.65Å; L287-F291 HydrophobicContact CD2-CE2 4.24Å; L287-F291 VanDerWaalsContact O-CD2 3.27Å; L287-F291 WeakPolarHBondContact O-CD2 3.36Å; L287-F291 PolarHBondContact O-N 3.01Å; F289-F291 PolarHBondContact O-N 3.18Å; F291-L293 VanDerWaalsContact C-N 3.31Å; F291-L293 PolarHBondContact O-N 3.1Å; F291-I294 HydrophobicContact CD1-CD1 3.74Å; F291-I294 HydrophobicContact CE1-CD1 4.16Å; F291-I294 HydrophobicContact CG-CD1 4.44Å; F291-I294 PolarHBondContact O-N 2.8Å; F291-I323 HydrophobicContact CB-CG2 4.06Å; F291-I323 HydrophobicContact CD1-CG2 3.79Å; F291-I323 HydrophobicContact CG-CG2 4.37Å; F291-G324 WeakPolarHBondContact O-CA 3.31Å; F291-A327 HydrophobicContact CB-CB 4.06Å |
| 292 | S | 90.2 | Very high | 82.6 | Confident | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -66.7 | -32.1 | 171.3 | 58.5 | 0 | 0 | 0 | 0 | 112.8 | I288 F289 H358 | I288-S292 WeakPolarHBondContact O-CB 3.3Å; I288-S292 PolarHBondContact O-N 3.22Å; I288-S292 PolarHBondContact O-OG 3.45Å; F289-S292 WeakPolarHBondContact CA-OG 3.42Å; F289-S292 PolarHBondContact O-N 3.44Å; F289-S292 PolarHBondContact O-OG 2.9Å; S292-H358 WeakPolarHBondContact CB-NE2 3.18Å; S292-H358 PolarHBondContact OG-CE1 2.87Å; S292-H358 VanDerWaalsContact OG-CE1 3.28Å; S292-H358 PolarHBondContact OG-NE2 3.32Å |
| 293 | L | 87.5 | Confident | 82 | Confident | 1 Ų | 1 | 11.2 Ų | 11.2 | 1% | 0.005 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -68.1 | -36.3 | 174.6 | -71.4 | 172.3 | 0 | 0 | 0 | 112.5 | W235 L238 F289 I290 F291 G295 S296 C299 L361 | W235-L293 HydrophobicContact CH2-CD2 4.3Å; W235-L293 HydrophobicContact CZ3-CD1 4.29Å; W235-L293 HydrophobicContact CZ3-CD2 4.27Å; L238-L293 HydrophobicContact CD2-CB 3.93Å; L238-L293 HydrophobicContact CD2-CD1 3.92Å; F289-L293 HydrophobicContact CD1-CD1 4.3Å; F289-L293 HydrophobicContact CD2-CD1 4.02Å; F289-L293 HydrophobicContact CD2-CG 4.08Å; F289-L293 HydrophobicContact CE1-CD1 3.9Å; F289-L293 HydrophobicContact CE2-CD1 3.61Å; F289-L293 HydrophobicContact CE2-CD2 4.01Å; F289-L293 HydrophobicContact CE2-CG 3.87Å; F289-L293 HydrophobicContact CG-CD1 4.39Å; F289-L293 HydrophobicContact CZ-CD1 3.57Å; F289-L293 HydrophobicContact CZ-CG 4.33Å; F289-L293 VanDerWaalsContact O-CG 3.29Å; F289-L293 WeakPolarHBondContact O-CG 3.24Å; F289-L293 PolarHBondContact O-N 3.28Å; F289-L293 VanDerWaalsContact O-N 3.08Å; I290-L293 PolarHBondContact O-N 3.1Å; F291-L293 VanDerWaalsContact C-N 3.31Å; F291-L293 PolarHBondContact O-N 3.1Å; L293-G295 VanDerWaalsContact C-N 3.27Å; L293-G295 PolarHBondContact O-N 3.1Å; L293-S296 VanDerWaalsContact O-CB 3.28Å; L293-S296 WeakPolarHBondContact O-CB 3.15Å; L293-S296 PolarHBondContact O-N 2.87Å; L293-S296 PolarHBondContact O-OG 3.44Å; L293-C299 VanDerWaalsContact O-CB 3.25Å; L293-C299 WeakPolarHBondContact O-CB 3.43Å; L293-C299 PolarHBondContact O-SG 3.44Å; L293-L361 HydrophobicContact CD2-CD1 3.34Å |
| 294 | I | 83.1 | Confident | 81.1 | Confident | 0 Ų | 0 | 8.6 Ų | 8.6 | 0% | 0 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -59.8 | -38.2 | -178.7 | -68.8 | 166.8 | 0 | 0 | 0 | 111.9 | L238 F241 L242 L245 I290 F291 S296 L300 L320 | L238-I294 HydrophobicContact CD1-CG1 4.35Å; F241-I294 HydrophobicContact CD1-CD1 3.59Å; F241-I294 HydrophobicContact CE1-CD1 3.39Å; L242-I294 HydrophobicContact CD1-CB 4.46Å; L242-I294 HydrophobicContact CD1-CG2 4.05Å; L242-I294 HydrophobicContact CG-CG2 4.14Å; L245-I294 HydrophobicContact CD1-CD1 3.84Å; L245-I294 HydrophobicContact CD1-CG2 4.21Å; I290-I294 HydrophobicContact CG2-CD1 4.45Å; I290-I294 WeakPolarHBondContact O-CG1 3.5Å; I290-I294 PolarHBondContact O-N 3.46Å; F291-I294 HydrophobicContact CD1-CD1 3.74Å; F291-I294 HydrophobicContact CE1-CD1 4.16Å; F291-I294 HydrophobicContact CG-CD1 4.44Å; F291-I294 PolarHBondContact O-N 2.8Å; I294-S296 VanDerWaalsContact C-N 3.33Å; I294-L300 WeakPolarHBondContact O-CD2 3.31Å; I294-L320 HydrophobicContact CG2-CD2 4.29Å |
| 295 | G | 80.4 | Confident | 79.8 | Confident | 2 Ų | 2 | 12.5 Ų | 12.5 | 2% | 0.021 | 7% | 0.069 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | 3.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | L293 L320 | L293-G295 VanDerWaalsContact C-N 3.27Å; L293-G295 PolarHBondContact O-N 3.1Å; G295-L320 WeakPolarHBondContact CA-O 3.32Å |
| 296 | S | 82.1 | Confident | 78.5 | Confident | 0 Ų | 0 | 13.6 Ų | 13.6 | 0% | 0 | 8% | 0.078 | C | C | . | . | S | Bend | trans | -69.9 | 141.6 | 176.9 | 74 | 0 | 0 | 0 | 0 | 110.7 | L293 I294 Q298 C299 L300 | L293-S296 VanDerWaalsContact O-CB 3.28Å; L293-S296 WeakPolarHBondContact O-CB 3.15Å; L293-S296 PolarHBondContact O-N 2.87Å; L293-S296 PolarHBondContact O-OG 3.44Å; I294-S296 VanDerWaalsContact C-N 3.33Å; S296-Q298 PolarHBondContact O-N 3.34Å; S296-C299 PolarHBondContact O-N 3.23Å; S296-C299 VanDerWaalsContact OG-CB 3.28Å; S296-C299 WeakPolarHBondContact OG-CB 3.29Å; S296-C299 PolarHBondContact OG-N 2.96Å; S296-C299 PolarHBondContact OG-SG 3.25Å; S296-L300 WeakPolarHBondContact O-CG 3.34Å; S296-L300 PolarHBondContact O-N 2.97Å |
| 297 | P | 77.1 | Confident | 77.1 | Confident | 14 Ų | 14 | 22.1 Ų | 22.1 | 9% | 0.091 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -62.5 | -32.7 | -176.4 | 21.2 | -28.9 | 0 | 0 | 0 | 112.2 | S301 Y404 | P297-S301 WeakPolarHBondContact O-CB 3.34Å; P297-S301 PolarHBondContact O-N 3.39Å; P297-S301 PolarHBondContact O-OG 2.81Å; P297-Y404 HydrophobicContact CG-CD1 4.48Å |
| 298 | Q | 78.3 | Confident | 75.6 | Confident | 33 Ų | 33 | 24.7 Ų | 24.7 | 15% | 0.154 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -67.2 | -45.3 | 176 | -66.3 | 73.9 | 20.4 | 0 | 0 | 111.9 | S296 S301 A302 L361 L368 | S296-Q298 PolarHBondContact O-N 3.34Å; Q298-S301 WeakPolarHBondContact CA-OG 3.27Å; Q298-S301 PolarHBondContact O-N 3.21Å; Q298-S301 PolarHBondContact O-OG 3.09Å; Q298-A302 PolarHBondContact O-N 2.79Å; Q298-L361 HydrophobicContact CB-CB 4.49Å; Q298-L361 HydrophobicContact CB-CD2 4.14Å; Q298-L361 HydrophobicContact CG-CB 4.28Å; Q298-L361 VanDerWaalsContact CG-O 3.23Å; Q298-L361 WeakPolarHBondContact CG-O 3.24Å; Q298-L361 PolarHBondContact NE2-O 3.28Å; Q298-L368 HydrophobicContact CB-CD1 4.37Å |
| 299 | C | 77.8 | Confident | 74.1 | Confident | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -63.6 | -42.5 | 176 | -71.8 | 0 | 0 | 0 | 0 | 111.6 | L242 L293 S296 S301 A302 C303 L368 | L242-C299 HydrophobicContact CD1-CB 4.1Å; L293-C299 VanDerWaalsContact O-CB 3.25Å; L293-C299 WeakPolarHBondContact O-CB 3.43Å; L293-C299 PolarHBondContact O-SG 3.44Å; S296-C299 PolarHBondContact O-N 3.23Å; S296-C299 VanDerWaalsContact OG-CB 3.28Å; S296-C299 WeakPolarHBondContact OG-CB 3.29Å; S296-C299 PolarHBondContact OG-N 2.96Å; S296-C299 PolarHBondContact OG-SG 3.25Å; C299-S301 VanDerWaalsContact C-N 3.33Å; C299-S301 PolarHBondContact O-N 3.43Å; C299-A302 PolarHBondContact O-N 3.41Å; C299-C303 PolarHBondContact O-N 3.19Å; C299-C303 VanDerWaalsContact O-N 3.08Å; C299-L368 HydrophobicContact CB-CD1 4.27Å; C299-L368 WeakPolarHBondContact SG-CD1 3.47Å |
| 300 | L | 76.5 | Confident | 72.6 | Confident | 28 Ų | 28 | 29.1 Ų | 29.1 | 15% | 0.147 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -62 | -41.9 | 175.9 | -67.6 | 174.9 | 0 | 0 | 0 | 111.4 | L242 I294 S296 C303 V304 L320 R321 | L242-L300 HydrophobicContact CD1-CD2 4.43Å; I294-L300 WeakPolarHBondContact O-CD2 3.31Å; S296-L300 WeakPolarHBondContact O-CG 3.34Å; S296-L300 PolarHBondContact O-N 2.97Å; L300-C303 PolarHBondContact O-N 3.41Å; L300-V304 VanDerWaalsContact O-CG2 3.28Å; L300-V304 WeakPolarHBondContact O-CG2 3.45Å; L300-V304 PolarHBondContact O-N 2.64Å; L300-L320 HydrophobicContact CD2-CB 3.81Å; L300-L320 HydrophobicContact CD2-CD1 3.98Å; L300-R321 HydrophobicContact CD1-CB 4.4Å |
| 301 | S | 71.9 | Confident | 71.5 | Confident | 43 Ų | 43 | 32.1 Ų | 32.1 | 30% | 0.301 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -62.3 | -43.7 | 177 | 73.8 | 0 | 0 | 0 | 0 | 112.5 | P297 Q298 C299 C303 V304 | P297-S301 WeakPolarHBondContact O-CB 3.34Å; P297-S301 PolarHBondContact O-N 3.39Å; P297-S301 PolarHBondContact O-OG 2.81Å; Q298-S301 WeakPolarHBondContact CA-OG 3.27Å; Q298-S301 PolarHBondContact O-N 3.21Å; Q298-S301 PolarHBondContact O-OG 3.09Å; C299-S301 VanDerWaalsContact C-N 3.33Å; C299-S301 PolarHBondContact O-N 3.43Å; S301-C303 PolarHBondContact O-N 2.95Å; S301-V304 PolarHBondContact O-N 2.9Å |
| 302 | A | 72.8 | Confident | 70.4 | Confident | 6 Ų | 6 | 32.6 Ų | 32.6 | 5% | 0.05 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -63.6 | -30.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | L239 Q298 C299 L368 | L239-A302 HydrophobicContact CD2-CB 3.89Å; Q298-A302 PolarHBondContact O-N 2.79Å; C299-A302 PolarHBondContact O-N 3.41Å; A302-L368 HydrophobicContact CB-CB 3.84Å; A302-L368 HydrophobicContact CB-CD1 4.33Å |
| 303 | C | 69.2 | Low | 69.3 | Low | 8 Ų | 8 | 35.1 Ų | 35.1 | 5% | 0.054 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -80.8 | -40.1 | 176 | -72.7 | 0 | 0 | 0 | 0 | 113.3 | L239 L242 C299 L300 S301 E305 A306 A309 | L239-C303 WeakPolarHBondContact CD2-SG 3.12Å; L242-C303 HydrophobicContact CD2-CB 3.42Å; L242-C303 VanDerWaalsContact CD2-CB 3.42Å; L242-C303 WeakPolarHBondContact CD2-SG 3.19Å; L242-C303 HydrophobicContact CG-CB 4.47Å; C299-C303 PolarHBondContact O-N 3.19Å; C299-C303 VanDerWaalsContact O-N 3.08Å; L300-C303 PolarHBondContact O-N 3.41Å; S301-C303 PolarHBondContact O-N 2.95Å; C303-E305 PolarHBondContact O-N 3.16Å; C303-E305 VanDerWaalsContact O-N 3.13Å; C303-A306 VanDerWaalsContact O-CB 3.29Å; C303-A306 WeakPolarHBondContact O-CB 3.11Å; C303-A306 PolarHBondContact O-N 2.92Å; C303-A309 WeakPolarHBondContact O-CB 3.28Å |
| 304 | V | 63.2 | Low | 68.4 | Low | 21 Ų | 21 | 39.8 Ų | 39.8 | 13% | 0.127 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -56.6 | -28.4 | 179.3 | 170.9 | 0 | 0 | 0 | 0 | 112.9 | L300 S301 A306 A392 | L300-V304 VanDerWaalsContact O-CG2 3.28Å; L300-V304 WeakPolarHBondContact O-CG2 3.45Å; L300-V304 PolarHBondContact O-N 2.64Å; S301-V304 PolarHBondContact O-N 2.9Å; V304-A306 VanDerWaalsContact C-N 3.26Å; V304-A306 PolarHBondContact O-N 3.07Å; V304-A392 HydrophobicContact CG1-CB 4.03Å |
| 305 | E | 56.9 | Low | 67.8 | Low | 85 Ų | 85 | 44.6 Ų | 44.6 | 40% | 0.397 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | -11.1 | 175.8 | -65.1 | -164.8 | 138.9 | 0 | 0 | 114.7 | C303 K370 | C303-E305 PolarHBondContact O-N 3.16Å; C303-E305 VanDerWaalsContact O-N 3.13Å; E305-K370 IonicContact OE1-NZ 3.84Å; E305-K370 PolarHBondContact OE1-NZ 3.38Å; E305-K370 WeakPolarHBondContact OE2-CD 3.49Å; E305-K370 WeakPolarHBondContact OE2-CE 3.13Å; E305-K370 WeakPolarHBondContact OE2-CG 3.43Å; E305-K370 IonicContact OE2-NZ 3.85Å; E305-K370 PolarHBondContact OE2-NZ 3.25Å |
| 306 | A | 58.9 | Low | 67.6 | Low | 24 Ų | 24 | 45.6 Ų | 45.6 | 20% | 0.198 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -80.4 | 146.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | C303 V304 I308 A309 L310 | C303-A306 VanDerWaalsContact O-CB 3.29Å; C303-A306 WeakPolarHBondContact O-CB 3.11Å; C303-A306 PolarHBondContact O-N 2.92Å; V304-A306 VanDerWaalsContact C-N 3.26Å; V304-A306 PolarHBondContact O-N 3.07Å; A306-I308 PolarHBondContact O-N 3.49Å; A306-I308 VanDerWaalsContact O-N 3.09Å; A306-A309 PolarHBondContact O-N 2.79Å; A306-L310 PolarHBondContact O-N 3.01Å |
| 307 | E | 55 | Low | 67.3 | Low | 184 Ų | 184 | 47.2 Ų | 47.2 | 86% | 0.86 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.9 | -36.6 | -175.2 | -72.2 | -174.6 | 164.1 | 0 | 0 | 113.6 | A309 | E307-A309 VanDerWaalsContact C-N 3.31Å; E307-A309 PolarHBondContact O-N 2.91Å |
| 308 | I | 55.3 | Low | 67.3 | Low | 64 Ų | 64 | 49.7 Ų | 49.7 | 33% | 0.328 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -34.1 | 179.1 | -58.6 | -172.3 | 0 | 0 | 0 | 111.6 | E243 L250 A306 A311 | E243-I308 HydrophobicContact CG-CD1 4.01Å; E243-I308 WeakPolarHBondContact OE1-CD1 3.5Å; L250-I308 HydrophobicContact CD1-CG2 3.94Å; A306-I308 PolarHBondContact O-N 3.49Å; A306-I308 VanDerWaalsContact O-N 3.09Å; I308-A311 PolarHBondContact O-N 3.36Å |
| 309 | A | 55.8 | Low | 67.5 | Low | 5 Ų | 5 | 48.6 Ų | 48.6 | 4% | 0.041 | 28% | 0.279 | C | S | . | . | G | 310 helix | trans | -86.3 | -19 | -171.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | C303 A306 E307 A311 L312 | C303-A309 WeakPolarHBondContact O-CB 3.28Å; A306-A309 PolarHBondContact O-N 2.79Å; E307-A309 VanDerWaalsContact C-N 3.31Å; E307-A309 PolarHBondContact O-N 2.91Å; A309-A311 PolarHBondContact O-N 3.33Å; A309-L312 HydrophobicContact CB-CD1 3.87Å; A309-L312 WeakPolarHBondContact O-CB 3.42Å; A309-L312 PolarHBondContact O-N 3.33Å; A309-L312 VanDerWaalsContact O-N 3.14Å |
| 310 | L | 57.2 | Low | 67.9 | Low | 89 Ų | 89 | 48.7 Ų | 48.7 | 47% | 0.466 | 28% | 0.28 | S | S | . | . | G | 310 helix | trans | -62.2 | -24 | 168.2 | -72.5 | 174.6 | 0 | 0 | 0 | 112.5 | A306 | A306-L310 PolarHBondContact O-N 3.01Š|
| 311 | A | 63.5 | Low | 68.2 | Low | 68 Ų | 68 | 49.8 Ų | 49.8 | 56% | 0.562 | 28% | 0.282 | S | S | * | . | G | 310 helix | trans | -82.8 | -12.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | L250 I308 A309 S313 | L250-A311 HydrophobicContact CD1-CB 4.17Å; L250-A311 HydrophobicContact CD2-CB 4.34Å; I308-A311 PolarHBondContact O-N 3.36Å; A309-A311 PolarHBondContact O-N 3.33Å; A311-S313 PolarHBondContact O-N 3.03Å |
| 312 | L | 65.5 | Low | 68.9 | Low | 10 Ų | 10 | 51.1 Ų | 51.1 | 5% | 0.052 | 29% | 0.285 | C | S | . | . | trans | -66.6 | 134.2 | 179.7 | -67.2 | 167.1 | 0 | 0 | 0 | 110.5 | A246 C249 L250 A309 D316 | A246-L312 HydrophobicContact CB-CD1 3.98Å; A246-L312 HydrophobicContact CB-CD2 4.23Å; C249-L312 HydrophobicContact CB-CD2 4.15Å; L250-L312 HydrophobicContact CD1-CD2 4.4Å; L250-L312 HydrophobicContact CD2-CD2 4.16Å; L250-L312 HydrophobicContact CG-CD2 3.98Å; A309-L312 HydrophobicContact CB-CD1 3.87Å; A309-L312 WeakPolarHBondContact O-CB 3.42Å; A309-L312 PolarHBondContact O-N 3.33Å; A309-L312 VanDerWaalsContact O-N 3.14Å; L312-D316 HydrophobicContact CB-CB 4.22Å; L312-D316 HydrophobicContact CD2-CB 3.73Å | ||
| 313 | S | 67.6 | Low | 69.7 | Low | 53 Ų | 53 | 50.8 Ų | 50.8 | 37% | 0.371 | 28% | 0.283 | S | S | . | . | trans | -73.9 | 161.9 | 170.2 | 72 | 0 | 0 | 0 | 0 | 110.4 | A311 H315 D316 C317 | A311-S313 PolarHBondContact O-N 3.03Å; S313-H315 PolarHBondContact O-N 3.28Å; S313-D316 WeakPolarHBondContact CB-OD2 3.27Å; S313-D316 PolarHBondContact N-OD2 2.9Å; S313-D316 PolarHBondContact O-N 3.23Å; S313-D316 PolarHBondContact OG-N 2.8Å; S313-D316 PolarHBondContact OG-OD2 3.3Å; S313-C317 PolarHBondContact O-N 2.82Å | ||
| 314 | S | 69 | Low | 70.6 | Confident | 99 Ų | 99 | 50.4 Ų | 50.4 | 69% | 0.692 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -55.2 | -35.8 | 174.1 | 58.3 | 0 | 0 | 0 | 0 | 112.1 | D316 C317 D318 | S314-D316 PolarHBondContact O-N 3.06Å; S314-C317 PolarHBondContact O-N 3.33Å; S314-D318 PolarHBondContact O-N 3.15Å |
| 315 | H | 70.7 | Confident | 71.9 | Confident | 101 Ų | 101 | 50.6 Ų | 50.6 | 47% | 0.468 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -64 | -36.7 | 177 | 178.7 | -75.8 | 0 | 0 | 0 | 112.7 | Y258 S313 D318 L319 | Y258-H315 PolarHBondContact OH-CE1 3.1Å; S313-H315 PolarHBondContact O-N 3.28Å; H315-D318 WeakPolarHBondContact O-CB 3.32Å; H315-D318 PolarHBondContact O-N 3.27Å; H315-L319 PolarHBondContact O-N 2.75Å; H315-L319 VanDerWaalsContact O-N 3.07Å |
| 316 | D | 74.8 | Confident | 73.5 | Confident | 22 Ų | 22 | 47 Ų | 47 | 12% | 0.118 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -71.4 | -36.4 | 179.5 | -56.8 | -46.3 | 0 | 0 | 0 | 111.5 | C249 L312 S313 S314 D318 L319 L320 | C249-D316 HydrophobicContact CB-CB 3.98Å; L312-D316 HydrophobicContact CB-CB 4.22Å; L312-D316 HydrophobicContact CD2-CB 3.73Å; S313-D316 WeakPolarHBondContact CB-OD2 3.27Å; S313-D316 PolarHBondContact N-OD2 2.9Å; S313-D316 PolarHBondContact O-N 3.23Å; S313-D316 PolarHBondContact OG-N 2.8Å; S313-D316 PolarHBondContact OG-OD2 3.3Å; S314-D316 PolarHBondContact O-N 3.06Å; D316-D318 VanDerWaalsContact C-N 3.35Å; D316-L319 WeakPolarHBondContact O-CB 3.24Å; D316-L319 PolarHBondContact O-N 2.74Å; D316-L320 PolarHBondContact O-N 2.65Å |
| 317 | C | 75.7 | Confident | 75.1 | Confident | 34 Ų | 34 | 45.8 Ų | 45.8 | 23% | 0.23 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -64.1 | -40.3 | 171.4 | -65.1 | 0 | 0 | 0 | 0 | 111.6 | S313 S314 L319 L320 R321 | S313-C317 PolarHBondContact O-N 2.82Å; S314-C317 PolarHBondContact O-N 3.33Å; C317-L319 VanDerWaalsContact C-N 3.28Å; C317-L319 PolarHBondContact O-N 3.18Å; C317-L320 PolarHBondContact O-N 3.05Å; C317-R321 WeakPolarHBondContact O-CB 3.5Å; C317-R321 PolarHBondContact O-N 3.04Å |
| 318 | D | 78.7 | Confident | 76.8 | Confident | 66 Ų | 66 | 37 Ų | 37 | 35% | 0.353 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -61.4 | -36.7 | 175 | -81.6 | -42.7 | 0 | 0 | 0 | 112.4 | S314 H315 D316 R321 L322 | S314-D318 PolarHBondContact O-N 3.15Å; H315-D318 WeakPolarHBondContact O-CB 3.32Å; H315-D318 PolarHBondContact O-N 3.27Å; D316-D318 VanDerWaalsContact C-N 3.35Å; D318-R321 PolarHBondContact O-N 3.45Å; D318-R321 IonicContact OD1-CZ 3.4Å; D318-R321 IonicContact OD1-NE 3.07Å; D318-R321 PolarHBondContact OD1-NE 3.43Å; D318-R321 IonicContact OD1-NH2 2.86Å; D318-R321 PolarHBondContact OD1-NH2 3.28Å; D318-L322 WeakPolarHBondContact O-CB 3.24Å; D318-L322 PolarHBondContact O-N 3.27Å |
| 319 | L | 82.5 | Confident | 78.5 | Confident | 10 Ų | 10 | 35.7 Ų | 35.7 | 5% | 0.052 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -64.8 | -44.6 | 177.5 | -161.5 | 81.6 | 0 | 0 | 0 | 111.9 | C257 Y258 I261 H315 D316 C317 L322 I323 | C257-L319 HydrophobicContact CB-CD2 3.15Å; C257-L319 HydrophobicContact CB-CG 3.75Å; Y258-L319 HydrophobicContact CD1-CD1 3.85Å; Y258-L319 HydrophobicContact CD2-CD1 4.3Å; Y258-L319 HydrophobicContact CE1-CD1 3.49Å; Y258-L319 VanDerWaalsContact CE1-CD1 3.49Å; Y258-L319 HydrophobicContact CE2-CD1 3.97Å; Y258-L319 HydrophobicContact CE2-CD2 4.46Å; Y258-L319 HydrophobicContact CG-CD1 4.24Å; I261-L319 HydrophobicContact CD1-CD1 3.65Å; I261-L319 HydrophobicContact CD1-CG 3.91Å; H315-L319 PolarHBondContact O-N 2.75Å; H315-L319 VanDerWaalsContact O-N 3.07Å; D316-L319 WeakPolarHBondContact O-CB 3.24Å; D316-L319 PolarHBondContact O-N 2.74Å; C317-L319 VanDerWaalsContact C-N 3.28Å; C317-L319 PolarHBondContact O-N 3.18Å; L319-L322 PolarHBondContact O-N 3.18Å; L319-I323 PolarHBondContact O-N 3.39Å; L319-I323 VanDerWaalsContact O-N 3.15Å |
| 320 | L | 84.8 | Confident | 80.1 | Confident | 2 Ų | 2 | 35.4 Ų | 35.4 | 1% | 0.01 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -65.9 | -39.6 | 175.8 | -66.2 | 173 | 0 | 0 | 0 | 111.7 | L242 L245 I294 G295 L300 D316 C317 L322 I323 G324 | L242-L320 HydrophobicContact CD2-CD1 4.26Å; L245-L320 HydrophobicContact CB-CD2 4.01Å; I294-L320 HydrophobicContact CG2-CD2 4.29Å; G295-L320 WeakPolarHBondContact CA-O 3.32Å; L300-L320 HydrophobicContact CD2-CB 3.81Å; L300-L320 HydrophobicContact CD2-CD1 3.98Å; D316-L320 PolarHBondContact O-N 2.65Å; C317-L320 PolarHBondContact O-N 3.05Å; L320-L322 VanDerWaalsContact C-N 3.33Å; L320-L322 PolarHBondContact O-N 2.85Å; L320-I323 HydrophobicContact CD2-CD1 4.32Å; L320-I323 WeakPolarHBondContact O-CB 3.31Å; L320-I323 PolarHBondContact O-N 3.39Å; L320-G324 PolarHBondContact O-N 2.94Å |
| 321 | R | 83.5 | Confident | 81.6 | Confident | 51 Ų | 51 | 31.2 Ų | 31.2 | 19% | 0.192 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -59.9 | -43 | 172.9 | -175.9 | 174.6 | 68.5 | 109.9 | 2.5 | 111.5 | L300 C317 D318 I323 G324 L325 D403 | L300-R321 HydrophobicContact CD1-CB 4.4Å; C317-R321 WeakPolarHBondContact O-CB 3.5Å; C317-R321 PolarHBondContact O-N 3.04Å; D318-R321 PolarHBondContact O-N 3.45Å; D318-R321 IonicContact OD1-CZ 3.4Å; D318-R321 IonicContact OD1-NE 3.07Å; D318-R321 PolarHBondContact OD1-NE 3.43Å; D318-R321 IonicContact OD1-NH2 2.86Å; D318-R321 PolarHBondContact OD1-NH2 3.28Å; R321-I323 VanDerWaalsContact C-N 3.32Å; R321-I323 PolarHBondContact O-N 3.16Å; R321-G324 PolarHBondContact O-N 3.26Å; R321-G324 VanDerWaalsContact O-N 3.14Å; R321-L325 HydrophobicContact CG-CD1 4.1Å; R321-L325 HydrophobicContact CG-CG 4.49Å; R321-L325 WeakPolarHBondContact O-CG 3.21Å; R321-L325 PolarHBondContact O-N 2.86Å; R321-D403 IonicContact CZ-OD2 3.17Å; R321-D403 IonicContact NH1-OD2 3.01Å; R321-D403 PolarHBondContact NH1-OD2 3.47Å |
| 322 | L | 87.1 | Confident | 82.8 | Confident | 71 Ų | 71 | 29.1 Ų | 29.1 | 37% | 0.372 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -65.4 | -33.6 | 179.3 | -171.1 | 62 | 0 | 0 | 0 | 112.4 | I261 D318 L319 L320 L325 T326 | I261-L322 HydrophobicContact CD1-CB 4.19Å; I261-L322 HydrophobicContact CD1-CD2 3.9Å; I261-L322 HydrophobicContact CD1-CG 4.18Å; I261-L322 HydrophobicContact CG1-CD2 4.4Å; I261-L322 HydrophobicContact CG1-CG 4.29Å; I261-L322 HydrophobicContact CG2-CD2 3.99Å; I261-L322 HydrophobicContact CG2-CG 4.19Å; D318-L322 WeakPolarHBondContact O-CB 3.24Å; D318-L322 PolarHBondContact O-N 3.27Å; L319-L322 PolarHBondContact O-N 3.18Å; L320-L322 VanDerWaalsContact C-N 3.33Å; L320-L322 PolarHBondContact O-N 2.85Å; L322-L325 PolarHBondContact O-N 2.85Å; L322-T326 HydrophobicContact CD1-CG2 4.22Å; L322-T326 HydrophobicContact CG-CG2 4.34Å; L322-T326 WeakPolarHBondContact O-CB 3.48Å; L322-T326 WeakPolarHBondContact O-CG2 3.44Å; L322-T326 PolarHBondContact O-N 3.43Å; L322-T326 PolarHBondContact O-OG1 3.4Å |
| 323 | I | 88.3 | Confident | 83.8 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -59.4 | -47.9 | 170.8 | -67.6 | 164.7 | 0 | 0 | 0 | 110.3 | C257 L260 I261 F291 L319 L320 R321 T326 A327 | C257-I323 HydrophobicContact CB-CD1 3.75Å; L260-I323 HydrophobicContact CB-CD1 4.44Å; L260-I323 HydrophobicContact CB-CG1 4.43Å; L260-I323 HydrophobicContact CD1-CD1 4.39Å; I261-I323 HydrophobicContact CD1-CG1 4.14Å; I261-I323 HydrophobicContact CG1-CG1 3.57Å; F291-I323 HydrophobicContact CB-CG2 4.06Å; F291-I323 HydrophobicContact CD1-CG2 3.79Å; F291-I323 HydrophobicContact CG-CG2 4.37Å; L319-I323 PolarHBondContact O-N 3.39Å; L319-I323 VanDerWaalsContact O-N 3.15Å; L320-I323 HydrophobicContact CD2-CD1 4.32Å; L320-I323 WeakPolarHBondContact O-CB 3.31Å; L320-I323 PolarHBondContact O-N 3.39Å; R321-I323 VanDerWaalsContact C-N 3.32Å; R321-I323 PolarHBondContact O-N 3.16Å; I323-T326 PolarHBondContact O-N 3.32Å; I323-T326 PolarHBondContact O-OG1 2.78Å; I323-A327 WeakPolarHBondContact O-CB 3.38Å; I323-A327 PolarHBondContact O-N 3.4Å |
| 324 | G | 89 | Confident | 84.5 | Confident | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -65.4 | -41.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | F291 L320 R321 A327 L328 | F291-G324 WeakPolarHBondContact O-CA 3.31Å; L320-G324 PolarHBondContact O-N 2.94Å; R321-G324 PolarHBondContact O-N 3.26Å; R321-G324 VanDerWaalsContact O-N 3.14Å; G324-A327 PolarHBondContact O-N 2.86Å; G324-L328 WeakPolarHBondContact O-CG 3.5Å; G324-L328 PolarHBondContact O-N 2.97Å |
| 325 | L | 90.2 | Very high | 85 | Confident | 25 Ų | 25 | 23.6 Ų | 23.6 | 13% | 0.131 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -64.1 | -44.3 | 177 | -72.5 | 172.8 | 0 | 0 | 0 | 112.1 | R321 L322 L328 T329 D403 K407 | R321-L325 HydrophobicContact CG-CD1 4.1Å; R321-L325 HydrophobicContact CG-CG 4.49Å; R321-L325 WeakPolarHBondContact O-CG 3.21Å; R321-L325 PolarHBondContact O-N 2.86Å; L322-L325 PolarHBondContact O-N 2.85Å; L325-L328 CarbonylContact O-C 3.48Å; L325-L328 PolarHBondContact O-N 3.41Å; L325-T329 VanDerWaalsContact O-CG2 3.24Å; L325-T329 WeakPolarHBondContact O-CG2 3.39Å; L325-T329 PolarHBondContact O-N 3.13Å; L325-D403 HydrophobicContact CD1-CB 4.21Å; L325-D403 HydrophobicContact CD2-CB 4.32Å; L325-K407 HydrophobicContact CD2-CB 4.45Å |
| 326 | T | 90.2 | Very high | 85.3 | Confident | 8 Ų | 8 | 24.4 Ų | 24.4 | 5% | 0.049 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -66.9 | -37.8 | 178.2 | 50.1 | 0 | 0 | 0 | 0 | 112 | I261 E265 L322 I323 L328 T329 C330 | I261-T326 HydrophobicContact CG2-CG2 4.27Å; E265-T326 HydrophobicContact CG-CG2 3.9Å; L322-T326 HydrophobicContact CD1-CG2 4.22Å; L322-T326 HydrophobicContact CG-CG2 4.34Å; L322-T326 WeakPolarHBondContact O-CB 3.48Å; L322-T326 WeakPolarHBondContact O-CG2 3.44Å; L322-T326 PolarHBondContact O-N 3.43Å; L322-T326 PolarHBondContact O-OG1 3.4Å; I323-T326 PolarHBondContact O-N 3.32Å; I323-T326 PolarHBondContact O-OG1 2.78Å; T326-L328 PolarHBondContact O-N 3.47Å; T326-T329 WeakPolarHBondContact CA-OG1 3.42Å; T326-T329 PolarHBondContact O-N 3.04Å; T326-T329 PolarHBondContact O-OG1 2.99Å; T326-C330 PolarHBondContact O-N 3.33Å; T326-C330 PolarHBondContact O-SG 3.38Å; T326-C330 VanDerWaalsContact O-SG 3.38Å |
| 327 | A | 91.8 | Very high | 84.9 | Confident | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -60.5 | -43.7 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | F264 I288 F291 I323 G324 T329 C330 L331 | F264-A327 HydrophobicContact CD1-CB 4.31Å; F264-A327 HydrophobicContact CE1-CB 4.32Å; I288-A327 WeakPolarHBondContact CG2-O 3.36Å; F291-A327 HydrophobicContact CB-CB 4.06Å; I323-A327 WeakPolarHBondContact O-CB 3.38Å; I323-A327 PolarHBondContact O-N 3.4Å; G324-A327 PolarHBondContact O-N 2.86Å; A327-T329 VanDerWaalsContact C-N 3.33Å; A327-T329 PolarHBondContact O-N 3Å; A327-C330 WeakPolarHBondContact O-CB 3.4Å; A327-C330 PolarHBondContact O-N 3.15Å; A327-L331 PolarHBondContact O-N 2.68Å; A327-L331 VanDerWaalsContact O-N 3.14Å |
| 328 | L | 92 | Very high | 83.9 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -65.5 | -32.1 | 173.9 | -73 | 178.5 | 0 | 0 | 0 | 112.9 | G324 L325 T326 C330 L331 H332 Y404 K407 L408 I411 | G324-L328 WeakPolarHBondContact O-CG 3.5Å; G324-L328 PolarHBondContact O-N 2.97Å; L325-L328 CarbonylContact O-C 3.48Å; L325-L328 PolarHBondContact O-N 3.41Å; T326-L328 PolarHBondContact O-N 3.47Å; L328-C330 VanDerWaalsContact C-N 3.31Å; L328-C330 PolarHBondContact O-N 3.45Å; L328-L331 HydrophobicContact CD2-CD2 4.36Å; L328-L331 WeakPolarHBondContact O-CB 3.18Å; L328-L331 PolarHBondContact O-N 3.42Å; L328-H332 PolarHBondContact O-N 2.79Å; L328-Y404 HydrophobicContact CD1-CD2 3.69Å; L328-Y404 HydrophobicContact CD1-CE2 3.46Å; L328-Y404 VanDerWaalsContact CD1-CE2 3.46Å; L328-K407 HydrophobicContact CB-CG 3.99Å; L328-L408 HydrophobicContact CD1-CD2 4.18Å; L328-L408 HydrophobicContact CD2-CD2 4.17Å; L328-I411 HydrophobicContact CB-CD1 4.12Å; L328-I411 HydrophobicContact CD2-CD1 4.01Å |
| 329 | T | 90.9 | Very high | 82.8 | Confident | 35 Ų | 35 | 36.9 Ų | 36.9 | 22% | 0.215 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -66.9 | -33 | 173.4 | 64.5 | 0 | 0 | 0 | 0 | 112.3 | H268 L325 T326 A327 H332 E333 K407 | H268-T329 PolarHBondContact ND1-O 2.6Å; L325-T329 VanDerWaalsContact O-CG2 3.24Å; L325-T329 WeakPolarHBondContact O-CG2 3.39Å; L325-T329 PolarHBondContact O-N 3.13Å; T326-T329 WeakPolarHBondContact CA-OG1 3.42Å; T326-T329 PolarHBondContact O-N 3.04Å; T326-T329 PolarHBondContact O-OG1 2.99Å; A327-T329 VanDerWaalsContact C-N 3.33Å; A327-T329 PolarHBondContact O-N 3Å; T329-H332 PolarHBondContact O-N 3.28Å; T329-E333 PolarHBondContact O-N 3.49Å; T329-K407 HydrophobicContact CG2-CD 4.18Å |
| 330 | C | 89.7 | Confident | 81.8 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -64.3 | -42.3 | 170.1 | -64.1 | 0 | 0 | 0 | 0 | 111.4 | F264 L267 L271 I288 T326 A327 L328 E333 L334 | F264-C330 PolarHBondContact O-SG 2.95Å; L267-C330 HydrophobicContact CD2-CB 4.27Å; L271-C330 HydrophobicContact CD1-CB 3.77Å; I288-C330 HydrophobicContact CD1-CB 3.81Å; I288-C330 HydrophobicContact CG1-CB 4.19Å; T326-C330 PolarHBondContact O-N 3.33Å; T326-C330 PolarHBondContact O-SG 3.38Å; T326-C330 VanDerWaalsContact O-SG 3.38Å; A327-C330 WeakPolarHBondContact O-CB 3.4Å; A327-C330 PolarHBondContact O-N 3.15Å; L328-C330 VanDerWaalsContact C-N 3.31Å; L328-C330 PolarHBondContact O-N 3.45Å; C330-E333 PolarHBondContact O-N 3.27Å; C330-L334 PolarHBondContact O-N 3.37Å; C330-L334 VanDerWaalsContact O-N 3.1Å |
| 331 | L | 88.1 | Confident | 80.6 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -63 | -43.3 | 175.1 | -174 | 62.7 | 0 | 0 | 0 | 111.6 | L285 I288 A327 L328 L334 V335 L354 I355 I411 | L285-L331 HydrophobicContact CD2-CD1 4.02Å; I288-L331 HydrophobicContact CG2-CB 4Å; A327-L331 PolarHBondContact O-N 2.68Å; A327-L331 VanDerWaalsContact O-N 3.14Å; L328-L331 HydrophobicContact CD2-CD2 4.36Å; L328-L331 WeakPolarHBondContact O-CB 3.18Å; L328-L331 PolarHBondContact O-N 3.42Å; L331-L334 WeakPolarHBondContact O-CB 3.42Å; L331-L334 PolarHBondContact O-N 3.38Å; L331-V335 VanDerWaalsContact O-CG2 3.29Å; L331-V335 WeakPolarHBondContact O-CG2 3.48Å; L331-V335 PolarHBondContact O-N 2.71Å; L331-V335 VanDerWaalsContact O-N 3.13Å; L331-L354 HydrophobicContact CD1-CD1 4.37Å; L331-L354 HydrophobicContact CD2-CD1 4.31Å; L331-L354 HydrophobicContact CD2-CD2 3.53Å; L331-I355 HydrophobicContact CD2-CD1 4.48Å; L331-I355 HydrophobicContact CD2-CG1 4.16Å; L331-I411 HydrophobicContact CB-CD1 4.46Å; L331-I411 HydrophobicContact CD2-CD1 4.25Å; L331-I411 HydrophobicContact CD2-CG2 4.28Å; L331-I411 HydrophobicContact CG-CG2 4.4Å |
| 332 | H | 88.7 | Confident | 79.7 | Confident | 24 Ų | 24 | 40 Ų | 40 | 11% | 0.111 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -58.5 | -49 | 177.2 | -173.4 | -174 | 0 | 0 | 0 | 110.8 | L328 T329 L334 V335 E336 K407 E410 I411 C414 | L328-H332 PolarHBondContact O-N 2.79Å; T329-H332 PolarHBondContact O-N 3.28Å; H332-L334 VanDerWaalsContact C-N 3.33Å; H332-L334 PolarHBondContact O-N 2.84Å; H332-V335 WeakPolarHBondContact O-CB 3.22Å; H332-V335 PolarHBondContact O-N 2.91Å; H332-E336 IonicContact NE2-OE2 3.84Å; H332-E336 WeakPolarHBondContact O-CB 3.49Å; H332-E336 PolarHBondContact O-N 3.37Å; H332-K407 WeakPolarHBondContact ND1-CE 3.4Å; H332-K407 PolarHBondContact ND1-NZ 3.46Å; H332-K407 VanDerWaalsContact ND1-NZ 3.17Å; H332-E410 IonicContact CE1-OE2 2.59Å; H332-E410 PolarHBondContact CE1-OE2 3.28Å; H332-E410 IonicContact ND1-OE2 3.79Å; H332-E410 PolarHBondContact ND1-OE2 3.41Å; H332-I411 HydrophobicContact CB-CD1 4.4Å; H332-I411 HydrophobicContact CB-CG1 3.71Å; H332-C414 PolarHBondContact NE2-SG 3.42Å; H332-C414 VanDerWaalsContact NE2-SG 3.44Å |
| 333 | E | 86.7 | Confident | 78.6 | Confident | 30 Ų | 30 | 37.1 Ų | 37.1 | 14% | 0.14 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -60.7 | -39.4 | 178.4 | -175.5 | 63.8 | -141.7 | 0 | 0 | 112.8 | H268 L271 K272 T329 C330 V335 E336 | H268-E333 IonicContact CE1-OE2 2.63Å; H268-E333 PolarHBondContact CE1-OE2 3.02Å; H268-E333 WeakPolarHBondContact ND1-CB 3.12Å; H268-E333 IonicContact ND1-OE2 2.67Å; H268-E333 IonicContact NE2-OE2 3.74Å; L271-E333 HydrophobicContact CB-CG 4.16Å; K272-E333 HydrophobicContact CG-CG 4.13Å; K272-E333 WeakPolarHBondContact CG-OE1 3.43Å; T329-E333 PolarHBondContact O-N 3.49Å; C330-E333 PolarHBondContact O-N 3.27Å; E333-V335 PolarHBondContact O-N 3.47Å; E333-E336 PolarHBondContact O-N 2.82Å |
| 334 | L | 81.5 | Confident | 77.5 | Confident | 16 Ų | 16 | 37.1 Ų | 37.1 | 8% | 0.084 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -60.4 | -36.8 | 175.3 | -82.7 | 170 | 0 | 0 | 0 | 112.5 | L271 W274 L281 L285 I288 C330 L331 H332 | L271-L334 HydrophobicContact CD1-CD1 4.25Å; L271-L334 HydrophobicContact CD1-CD2 4.47Å; L271-L334 HydrophobicContact CD1-CG 3.95Å; L271-L334 HydrophobicContact CD2-CD1 4.46Å; L271-L334 HydrophobicContact CD2-CD2 3.61Å; L271-L334 HydrophobicContact CD2-CG 4.03Å; W274-L334 HydrophobicContact CE3-CD2 4.22Å; W274-L334 HydrophobicContact CZ3-CD2 4.07Å; L281-L334 HydrophobicContact CD1-CD2 4.34Å; L285-L334 HydrophobicContact CD2-CD1 4.19Å; I288-L334 HydrophobicContact CD1-CD1 3.83Å; C330-L334 PolarHBondContact O-N 3.37Å; C330-L334 VanDerWaalsContact O-N 3.1Å; L331-L334 WeakPolarHBondContact O-CB 3.42Å; L331-L334 PolarHBondContact O-N 3.38Å; H332-L334 VanDerWaalsContact C-N 3.33Å; H332-L334 PolarHBondContact O-N 2.84Å |
| 335 | V | 79.9 | Confident | 76.2 | Confident | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.006 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -81.5 | -38.2 | -177.9 | 164.5 | 0 | 0 | 0 | 0 | 112.1 | L331 H332 E333 K337 V340 L343 I411 C414 I415 | L331-V335 VanDerWaalsContact O-CG2 3.29Å; L331-V335 WeakPolarHBondContact O-CG2 3.48Å; L331-V335 PolarHBondContact O-N 2.71Å; L331-V335 VanDerWaalsContact O-N 3.13Å; H332-V335 WeakPolarHBondContact O-CB 3.22Å; H332-V335 PolarHBondContact O-N 2.91Å; E333-V335 PolarHBondContact O-N 3.47Å; V335-K337 VanDerWaalsContact C-N 3.27Å; V335-K337 PolarHBondContact O-N 3.42Å; V335-V340 WeakPolarHBondContact O-CG2 3.44Å; V335-L343 HydrophobicContact CG2-CD2 4.36Å; V335-I411 HydrophobicContact CG2-CG2 4.48Å; V335-C414 HydrophobicContact CG1-CB 3.43Å; V335-C414 VanDerWaalsContact CG1-CB 3.43Å; V335-I415 HydrophobicContact CB-CG1 4.12Å; V335-I415 HydrophobicContact CG1-CB 4.28Å; V335-I415 HydrophobicContact CG1-CD1 4.18Å; V335-I415 HydrophobicContact CG1-CG1 3.25Å; V335-I415 HydrophobicContact CG2-CD1 3.79Å; V335-I415 HydrophobicContact CG2-CG1 3.71Å |
| 336 | E | 77.9 | Confident | 75 | Confident | 117 Ų | 117 | 43.6 Ų | 43.6 | 55% | 0.547 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -68 | -28.8 | -174.5 | -170.7 | -179.8 | 169.1 | 0 | 0 | 112.2 | H332 E333 R338 | H332-E336 IonicContact NE2-OE2 3.84Å; H332-E336 WeakPolarHBondContact O-CB 3.49Å; H332-E336 PolarHBondContact O-N 3.37Å; E333-E336 PolarHBondContact O-N 2.82Å; E336-R338 PolarHBondContact O-N 3.29Å |
| 337 | K | 64.9 | Low | 74.2 | Confident | 48 Ų | 48 | 44.5 Ų | 44.5 | 21% | 0.209 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -54 | 132 | 178.2 | -81.4 | -173.1 | 161.1 | -164.2 | 0 | 112 | L271 K272 W274 V335 N339 V340 | L271-K337 WeakPolarHBondContact O-CE 3.15Å; L271-K337 PolarHBondContact O-NZ 3.3Å; K272-K337 VanDerWaalsContact C-NZ 3.28Å; K272-K337 WeakPolarHBondContact O-CE 3.32Å; K272-K337 PolarHBondContact O-NZ 3.22Å; W274-K337 PolarHBondContact O-NZ 2.87Å; V335-K337 VanDerWaalsContact C-N 3.27Å; V335-K337 PolarHBondContact O-N 3.42Å; K337-N339 CarbonylContact O-C 3.59Å; K337-N339 PolarHBondContact O-N 3.3Å; K337-V340 WeakPolarHBondContact O-CG2 3.42Å; K337-V340 PolarHBondContact O-N 2.91Å |
| 338 | R | 55.5 | Low | 73.3 | Confident | 240 Ų | 240 | 44.6 Ų | 44.6 | 91% | 0.906 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.4 | -4.4 | 171 | -66.6 | -175.8 | -178.6 | 179.8 | 0.4 | 115.5 | E336 V340 | E336-R338 PolarHBondContact O-N 3.29Å; R338-V340 VanDerWaalsContact C-N 3.28Å |
| 339 | N | 56.1 | Low | 72.4 | Confident | 96 Ų | 96 | 46.3 Ų | 46.3 | 51% | 0.513 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.2 | 21.7 | 169.8 | -65.9 | -2.2 | 0 | 0 | 0 | 112.7 | K337 D341 S342 | K337-N339 CarbonylContact O-C 3.59Å; K337-N339 PolarHBondContact O-N 3.3Å; N339-D341 PolarHBondContact O-N 2.95Å; N339-S342 PolarHBondContact O-N 3.32Å; N339-S342 PolarHBondContact O-OG 2.98Å |
| 340 | V | 59.9 | Low | 71.6 | Confident | 7 Ų | 7 | 45 Ų | 45 | 4% | 0.042 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -44.9 | -30.9 | 168.6 | -169.4 | 0 | 0 | 0 | 0 | 110.7 | V335 K337 R338 S342 L343 M344 S418 | V335-V340 WeakPolarHBondContact O-CG2 3.44Å; K337-V340 WeakPolarHBondContact O-CG2 3.42Å; K337-V340 PolarHBondContact O-N 2.91Å; R338-V340 VanDerWaalsContact C-N 3.28Å; V340-S342 PolarHBondContact O-N 2.98Å; V340-L343 PolarHBondContact O-N 3.35Å; V340-M344 HydrophobicContact CG1-CE 3.59Å; V340-M344 HydrophobicContact CG1-CG 3.49Å; V340-M344 VanDerWaalsContact CG1-CG 3.49Å; V340-M344 HydrophobicContact CG1-SD 4.44Å; V340-M344 VanDerWaalsContact O-CB 3.31Å; V340-M344 WeakPolarHBondContact O-CB 3.17Å; V340-M344 WeakPolarHBondContact O-CG 3.41Å; V340-M344 PolarHBondContact O-N 2.94Å; V340-S418 VanDerWaalsContact CG1-CB 3.41Å |
| 341 | D | 61 | Low | 71.3 | Confident | 74 Ų | 74 | 45 Ų | 45 | 40% | 0.396 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -54.1 | -49.5 | 176.9 | -63.2 | -1.1 | 0 | 0 | 0 | 114.1 | N339 L343 M344 T345 F422 | N339-D341 PolarHBondContact O-N 2.95Å; D341-L343 PolarHBondContact O-N 3.44Å; D341-M344 PolarHBondContact O-N 3.21Å; D341-T345 WeakPolarHBondContact O-CB 3.18Å; D341-T345 WeakPolarHBondContact O-CG2 3.46Å; D341-T345 PolarHBondContact O-N 3.2Å; D341-T345 PolarHBondContact O-OG1 3.01Å; D341-T345 VanDerWaalsContact O-OG1 3.06Å; D341-F422 VanDerWaalsContact CA-CE2 3.48Å; D341-F422 HydrophobicContact CB-CE2 4.03Å; D341-F422 HydrophobicContact CB-CZ 3.61Å; D341-F422 WeakPolarHBondContact OD1-CE2 3.33Å; D341-F422 WeakPolarHBondContact OD1-CZ 3.48Å |
| 342 | S | 63.8 | Low | 71 | Confident | 49 Ų | 49 | 45 Ų | 45 | 34% | 0.343 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -70.5 | -32.7 | 179.1 | 54.1 | 0 | 0 | 0 | 0 | 113.2 | N339 V340 T345 H346 | N339-S342 PolarHBondContact O-N 3.32Å; N339-S342 PolarHBondContact O-OG 2.98Å; V340-S342 PolarHBondContact O-N 2.98Å; S342-T345 WeakPolarHBondContact CA-OG1 3.34Å; S342-T345 PolarHBondContact O-OG1 2.97Å; S342-T345 VanDerWaalsContact O-OG1 3.08Å; S342-H346 PolarHBondContact O-CD2 3.46Å; S342-H346 VanDerWaalsContact O-CD2 3.3Å; S342-H346 PolarHBondContact O-N 3.14Å |
| 343 | L | 64 | Low | 70.7 | Confident | 9 Ų | 9 | 45.9 Ų | 45.9 | 5% | 0.047 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -69.2 | -45.6 | 177.9 | -176.3 | 68.1 | 0 | 0 | 0 | 110.1 | L281 V335 V340 D341 Q347 S348 V351 | L281-L343 HydrophobicContact CD1-CD1 4.05Å; L281-L343 HydrophobicContact CD2-CD1 3.87Å; L281-L343 HydrophobicContact CG-CD1 4.39Å; V335-L343 HydrophobicContact CG2-CD2 4.36Å; V340-L343 PolarHBondContact O-N 3.35Å; D341-L343 PolarHBondContact O-N 3.44Å; L343-Q347 CarbonylContact O-C 3.44Å; L343-Q347 PolarHBondContact O-N 3.26Å; L343-S348 PolarHBondContact O-N 3.02Å; L343-V351 HydrophobicContact CD1-CG2 4.22Å; L343-V351 HydrophobicContact CD2-CG2 4.24Å; L343-V351 HydrophobicContact CG-CG2 4.25Å |
| 344 | M | 65.8 | Low | 70.6 | Confident | 1 Ų | 1 | 44.5 Ų | 44.5 | 1% | 0.005 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -69.2 | -36.7 | -179 | -70.1 | -62.8 | 175.5 | 0 | 0 | 112.6 | V340 D341 S348 F352 I415 C419 F422 | V340-M344 HydrophobicContact CG1-CE 3.59Å; V340-M344 HydrophobicContact CG1-CG 3.49Å; V340-M344 VanDerWaalsContact CG1-CG 3.49Å; V340-M344 HydrophobicContact CG1-SD 4.44Å; V340-M344 VanDerWaalsContact O-CB 3.31Å; V340-M344 WeakPolarHBondContact O-CB 3.17Å; V340-M344 WeakPolarHBondContact O-CG 3.41Å; V340-M344 PolarHBondContact O-N 2.94Å; D341-M344 PolarHBondContact O-N 3.21Å; M344-S348 WeakPolarHBondContact O-CB 3.24Å; M344-S348 PolarHBondContact O-OG 3.44Å; M344-F352 HydrophobicContact SD-CZ 4.32Å; M344-I415 HydrophobicContact CE-CG2 3.95Å; M344-C419 WeakPolarHBondContact CE-SG 3.41Å; M344-F422 HydrophobicContact CB-CD1 4.5Å; M344-F422 HydrophobicContact CB-CD2 3.67Å; M344-F422 HydrophobicContact CB-CE2 3.71Å; M344-F422 HydrophobicContact CB-CG 4.12Å; M344-F422 HydrophobicContact CB-CZ 4.18Å; M344-F422 HydrophobicContact CG-CD2 3.92Å; M344-F422 HydrophobicContact CG-CE2 4.11Å |
| 345 | T | 61.6 | Low | 70.9 | Confident | 39 Ų | 39 | 43.7 Ų | 43.7 | 24% | 0.239 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -68.3 | -34.9 | 179.4 | 53.9 | 0 | 0 | 0 | 0 | 112.9 | D341 S342 F422 | D341-T345 WeakPolarHBondContact O-CB 3.18Å; D341-T345 WeakPolarHBondContact O-CG2 3.46Å; D341-T345 PolarHBondContact O-N 3.2Å; D341-T345 PolarHBondContact O-OG1 3.01Å; D341-T345 VanDerWaalsContact O-OG1 3.06Å; S342-T345 WeakPolarHBondContact CA-OG1 3.34Å; S342-T345 PolarHBondContact O-OG1 2.97Å; S342-T345 VanDerWaalsContact O-OG1 3.08Å; T345-F422 HydrophobicContact CG2-CE1 3.75Å; T345-F422 HydrophobicContact CG2-CZ 4.18Å |
| 346 | H | 65.1 | Low | 71.2 | Confident | 122 Ų | 122 | 44.4 Ų | 44.4 | 57% | 0.565 | 22% | 0.216 | S | C | * | . | H | α-helix | trans | -108.3 | -33.7 | -170.7 | -64 | -54.4 | 0 | 0 | 0 | 114.8 | S342 | S342-H346 PolarHBondContact O-CD2 3.46Å; S342-H346 VanDerWaalsContact O-CD2 3.3Å; S342-H346 PolarHBondContact O-N 3.14Å |
| 347 | Q | 72.7 | Confident | 71.5 | Confident | 26 Ų | 26 | 38.9 Ų | 38.9 | 12% | 0.121 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -135.2 | 21.2 | -169 | -61 | -60.4 | -22.4 | 0 | 0 | 113.6 | L281 V282 L285 L343 S349 F350 V351 | L281-Q347 HydrophobicContact CD2-CB 4.18Å; L281-Q347 HydrophobicContact CD2-CG 3.64Å; L281-Q347 HydrophobicContact CG-CG 4.31Å; V282-Q347 HydrophobicContact CG2-CG 4.46Å; V282-Q347 VanDerWaalsContact CG2-NE2 3.32Å; L285-Q347 HydrophobicContact CD1-CB 4.29Å; L343-Q347 CarbonylContact O-C 3.44Å; L343-Q347 PolarHBondContact O-N 3.26Å; Q347-S349 PolarHBondContact O-N 3.41Å; Q347-F350 PolarHBondContact O-N 3.17Å; Q347-F350 VanDerWaalsContact O-N 3.13Å; Q347-V351 PolarHBondContact O-N 3.07Å |
| 348 | S | 72.9 | Confident | 72.6 | Confident | 3 Ų | 3 | 36.6 Ų | 36.6 | 2% | 0.021 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -55.1 | -36.9 | 178.5 | 46.2 | 0 | 0 | 0 | 0 | 113 | L343 M344 F350 V351 F352 | L343-S348 PolarHBondContact O-N 3.02Å; M344-S348 WeakPolarHBondContact O-CB 3.24Å; M344-S348 PolarHBondContact O-OG 3.44Å; S348-F350 PolarHBondContact O-N 3.36Å; S348-V351 PolarHBondContact O-N 2.83Å; S348-F352 WeakPolarHBondContact O-CB 3.26Å; S348-F352 WeakPolarHBondContact O-CD2 3.49Å; S348-F352 VanDerWaalsContact O-CG 3.26Å; S348-F352 WeakPolarHBondContact O-CG 3.4Å; S348-F352 PolarHBondContact O-N 2.9Å |
| 349 | S | 72.6 | Confident | 74.1 | Confident | 35 Ų | 35 | 25.2 Ų | 25.2 | 25% | 0.245 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -59.4 | -43.3 | 177.7 | 61.9 | 0 | 0 | 0 | 0 | 112.9 | Q347 Q353 | Q347-S349 PolarHBondContact O-N 3.41Å; S349-Q353 WeakPolarHBondContact O-CB 3.19Å; S349-Q353 WeakPolarHBondContact O-CG 3.43Å; S349-Q353 PolarHBondContact O-N 3.21Å |
| 350 | F | 75.6 | Confident | 75.4 | Confident | 9 Ų | 9 | 21.5 Ų | 21.5 | 4% | 0.039 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -64.8 | -46.7 | 180 | -79.9 | -104.6 | 0 | 0 | 0 | 110.8 | L219 L220 V282 L285 Q347 S348 Q353 L354 | L219-F350 HydrophobicContact CB-CD1 3.49Å; L219-F350 VanDerWaalsContact CB-CD1 3.49Å; L219-F350 HydrophobicContact CB-CE1 3.8Å; L219-F350 HydrophobicContact CB-CG 4.27Å; L219-F350 HydrophobicContact CD1-CD1 3.89Å; L219-F350 HydrophobicContact CD1-CE1 4.47Å; L219-F350 HydrophobicContact CG-CD1 4.31Å; L220-F350 HydrophobicContact CD1-CZ 4.35Å; L220-F350 HydrophobicContact CD2-CE2 3.63Å; L220-F350 HydrophobicContact CD2-CZ 3.54Å; L220-F350 HydrophobicContact CG-CE1 4.29Å; L220-F350 HydrophobicContact CG-CE2 4.11Å; L220-F350 HydrophobicContact CG-CZ 3.53Å; V282-F350 HydrophobicContact CG1-CE1 3.84Å; V282-F350 HydrophobicContact CG1-CZ 3.96Å; L285-F350 HydrophobicContact CD1-CB 4.19Å; Q347-F350 PolarHBondContact O-N 3.17Å; Q347-F350 VanDerWaalsContact O-N 3.13Å; S348-F350 PolarHBondContact O-N 3.36Å; F350-Q353 PolarHBondContact O-N 3.18Å; F350-L354 WeakPolarHBondContact O-CB 3.5Å; F350-L354 PolarHBondContact O-N 3.1Å |
| 351 | V | 82.6 | Confident | 76.4 | Confident | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -64.7 | -43.8 | -179.1 | -179.2 | 0 | 0 | 0 | 0 | 111 | L285 L343 Q347 S348 L354 I355 I415 | L285-V351 HydrophobicContact CD1-CG2 4.4Å; L285-V351 HydrophobicContact CD2-CG2 4.43Å; L343-V351 HydrophobicContact CD1-CG2 4.22Å; L343-V351 HydrophobicContact CD2-CG2 4.24Å; L343-V351 HydrophobicContact CG-CG2 4.25Å; Q347-V351 PolarHBondContact O-N 3.07Å; S348-V351 PolarHBondContact O-N 2.83Å; V351-L354 PolarHBondContact O-N 3.34Å; V351-I355 HydrophobicContact CG1-CD1 3.85Å; V351-I355 WeakPolarHBondContact O-CG1 3.35Å; V351-I355 PolarHBondContact O-N 3.45Å; V351-I355 VanDerWaalsContact O-N 3.07Å; V351-I415 HydrophobicContact CG1-CD1 3.63Å |
| 352 | F | 82.6 | Confident | 77.3 | Confident | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -63.4 | -44.7 | 177.5 | -66.1 | -34.9 | 0 | 0 | 0 | 112.3 | M344 S348 I355 T356 I415 C419 F433 L438 F441 | M344-F352 HydrophobicContact SD-CZ 4.32Å; S348-F352 WeakPolarHBondContact O-CB 3.26Å; S348-F352 WeakPolarHBondContact O-CD2 3.49Å; S348-F352 VanDerWaalsContact O-CG 3.26Å; S348-F352 WeakPolarHBondContact O-CG 3.4Å; S348-F352 PolarHBondContact O-N 2.9Å; F352-I355 PolarHBondContact O-N 2.99Å; F352-T356 WeakPolarHBondContact O-CB 3.36Å; F352-T356 PolarHBondContact O-N 3.5Å; F352-T356 PolarHBondContact O-OG1 2.89Å; F352-I415 HydrophobicContact CE1-CG2 4.1Å; F352-C419 WeakPolarHBondContact CE1-SG 3.27Å; F352-C419 HydrophobicContact CZ-CB 4.35Å; F352-C419 WeakPolarHBondContact CZ-SG 3.36Å; F352-F433 AromaticContact CE2-CE2 3.74Å; F352-F433 HydrophobicContact CE2-CE2 3.74Å; F352-F433 AromaticContact CE2-CZ 3.77Å; F352-F433 HydrophobicContact CE2-CZ 3.77Å; F352-F433 AromaticContact CZ-CE2 3.79Å; F352-F433 HydrophobicContact CZ-CE2 3.79Å; F352-F433 AromaticContact CZ-CZ 3.81Å; F352-F433 HydrophobicContact CZ-CZ 3.81Å; F352-L438 HydrophobicContact CE2-CB 4.13Å; F352-L438 HydrophobicContact CZ-CB 4.35Å; F352-L438 HydrophobicContact CZ-CD1 4.35Å; F352-F441 HydrophobicContact CB-CB 4.38Å; F352-F441 HydrophobicContact CD1-CB 4.38Å; F352-F441 HydrophobicContact CD1-CD1 4.33Å; F352-F441 HydrophobicContact CD1-CG 4.24Å |
| 353 | Q | 81.8 | Confident | 77.9 | Confident | 42 Ų | 42 | 16 Ų | 16 | 20% | 0.196 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -68.3 | -38.6 | 179.6 | -71 | -171.1 | 6.6 | 0 | 0 | 112.4 | Y218 L219 G221 S349 F350 T356 C357 | Y218-Q353 PolarHBondContact O-OE1 2.88Å; L219-Q353 HydrophobicContact CD2-CB 4.13Å; L219-Q353 PolarHBondContact O-OE1 3.19Å; G221-Q353 PolarHBondContact O-NE2 3.17Å; S349-Q353 WeakPolarHBondContact O-CB 3.19Å; S349-Q353 WeakPolarHBondContact O-CG 3.43Å; S349-Q353 PolarHBondContact O-N 3.21Å; F350-Q353 PolarHBondContact O-N 3.18Å; Q353-T356 PolarHBondContact O-N 2.97Å; Q353-C357 WeakPolarHBondContact O-CB 3.18Å; Q353-C357 PolarHBondContact O-N 3.47Å |
| 354 | L | 84.9 | Confident | 78.2 | Confident | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -56.4 | -53.1 | 174.5 | -172.4 | 167 | 0 | 0 | 0 | 110.4 | L219 I288 F289 L331 F350 V351 C357 H358 | L219-L354 HydrophobicContact CD2-CB 3.94Å; I288-L354 HydrophobicContact CG2-CD1 4.46Å; F289-L354 HydrophobicContact CB-CD1 3.9Å; F289-L354 HydrophobicContact CB-CG 4.01Å; F289-L354 HydrophobicContact CD2-CB 4.39Å; F289-L354 HydrophobicContact CD2-CD2 4.44Å; F289-L354 HydrophobicContact CD2-CG 3.73Å; F289-L354 HydrophobicContact CG-CG 4.21Å; L331-L354 HydrophobicContact CD1-CD1 4.37Å; L331-L354 HydrophobicContact CD2-CD1 4.31Å; L331-L354 HydrophobicContact CD2-CD2 3.53Å; F350-L354 WeakPolarHBondContact O-CB 3.5Å; F350-L354 PolarHBondContact O-N 3.1Å; V351-L354 PolarHBondContact O-N 3.34Å; L354-C357 WeakPolarHBondContact O-CB 3.39Å; L354-C357 PolarHBondContact O-N 3.05Å; L354-H358 PolarHBondContact O-CD2 3.23Å; L354-H358 PolarHBondContact O-N 3.35Å |
| 355 | I | 87 | Confident | 78.3 | Confident | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -72.3 | -38.2 | -176.9 | -60 | 168.9 | 0 | 0 | 0 | 111.1 | L331 V351 F352 C357 H358 L359 I411 I412 I415 F441 | L331-I355 HydrophobicContact CD2-CD1 4.48Å; L331-I355 HydrophobicContact CD2-CG1 4.16Å; V351-I355 HydrophobicContact CG1-CD1 3.85Å; V351-I355 WeakPolarHBondContact O-CG1 3.35Å; V351-I355 PolarHBondContact O-N 3.45Å; V351-I355 VanDerWaalsContact O-N 3.07Å; F352-I355 PolarHBondContact O-N 2.99Å; I355-C357 PolarHBondContact O-N 3.04Å; I355-H358 PolarHBondContact O-N 3.43Å; I355-H358 VanDerWaalsContact O-N 3.14Å; I355-L359 HydrophobicContact CG2-CD1 3.95Å; I355-L359 HydrophobicContact CG2-CG 4.16Å; I355-L359 WeakPolarHBondContact O-CG 3.31Å; I355-L359 PolarHBondContact O-N 2.93Å; I355-I411 HydrophobicContact CD1-CG2 3.73Å; I355-I411 HydrophobicContact CG1-CG2 4.49Å; I355-I412 HydrophobicContact CG2-CD1 4.47Å; I355-I412 HydrophobicContact CG2-CG1 4.2Å; I355-I415 HydrophobicContact CD1-CD1 3.04Å; I355-F441 HydrophobicContact CB-CD2 4.44Å; I355-F441 HydrophobicContact CB-CE2 4.18Å; I355-F441 HydrophobicContact CG2-CD2 4.24Å; I355-F441 HydrophobicContact CG2-CE2 3.61Å |
| 356 | T | 86.3 | Confident | 78.7 | Confident | 16 Ų | 16 | 22.3 Ų | 22.3 | 10% | 0.098 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -57.9 | -37 | 173.9 | -61.7 | 0 | 0 | 0 | 0 | 111.3 | F352 Q353 N360 F441 A444 | F352-T356 WeakPolarHBondContact O-CB 3.36Å; F352-T356 PolarHBondContact O-N 3.5Å; F352-T356 PolarHBondContact O-OG1 2.89Å; Q353-T356 PolarHBondContact O-N 2.97Å; T356-N360 WeakPolarHBondContact CG2-ND2 3.37Å; T356-N360 VanDerWaalsContact O-CB 3.32Å; T356-N360 WeakPolarHBondContact O-CB 3.11Å; T356-N360 PolarHBondContact O-N 3.14Å; T356-N360 PolarHBondContact O-ND2 3.49Å; T356-F441 WeakPolarHBondContact OG1-CA 3.21Å; T356-A444 HydrophobicContact CG2-CB 3.91Å |
| 357 | C | 85.1 | Confident | 78.8 | Confident | 1 Ų | 1 | 21.6 Ų | 21.6 | 1% | 0.007 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -62.1 | -50.1 | 174.4 | -166.4 | 0 | 0 | 0 | 0 | 111.6 | Y218 F289 Q353 L354 I355 L359 N360 L361 | Y218-C357 HydrophobicContact CE1-CB 4.09Å; Y218-C357 PolarHBondContact OH-SG 2.82Å; F289-C357 HydrophobicContact CE2-CB 3.78Å; F289-C357 HydrophobicContact CZ-CB 4.17Å; Q353-C357 WeakPolarHBondContact O-CB 3.18Å; Q353-C357 PolarHBondContact O-N 3.47Å; L354-C357 WeakPolarHBondContact O-CB 3.39Å; L354-C357 PolarHBondContact O-N 3.05Å; I355-C357 PolarHBondContact O-N 3.04Å; C357-L359 VanDerWaalsContact C-N 3.35Å; C357-L359 PolarHBondContact O-N 3.13Å; C357-N360 PolarHBondContact O-N 3.19Å; C357-N360 VanDerWaalsContact O-N 3.15Å; C357-L361 WeakPolarHBondContact O-CG 3.25Å; C357-L361 PolarHBondContact O-N 2.87Å |
| 358 | H | 88.5 | Confident | 78.5 | Confident | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -62.5 | -38.7 | 177.9 | -71.1 | -47.8 | 0 | 0 | 0 | 113 | S292 L354 I355 N360 L361 T362 Y404 L408 | S292-H358 WeakPolarHBondContact CB-NE2 3.18Å; S292-H358 PolarHBondContact OG-CE1 2.87Å; S292-H358 VanDerWaalsContact OG-CE1 3.28Å; S292-H358 PolarHBondContact OG-NE2 3.32Å; L354-H358 PolarHBondContact O-CD2 3.23Å; L354-H358 PolarHBondContact O-N 3.35Å; I355-H358 PolarHBondContact O-N 3.43Å; I355-H358 VanDerWaalsContact O-N 3.14Å; H358-N360 VanDerWaalsContact C-N 3.35Å; H358-L361 PolarHBondContact O-N 3.4Å; H358-T362 WeakPolarHBondContact O-CG2 3.23Å; H358-T362 PolarHBondContact O-N 2.75Å; H358-T362 PolarHBondContact O-OG1 3.26Å; H358-Y404 VanDerWaalsContact CG-OH 3.28Å; H358-Y404 PolarHBondContact ND1-OH 3.27Å; H358-L408 HydrophobicContact CB-CD1 4.06Å; H358-L408 HydrophobicContact CB-CD2 3.81Å |
| 359 | L | 86.5 | Confident | 78 | Confident | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -65.1 | -37.7 | 173.9 | -68.8 | 172.3 | 0 | 0 | 0 | 112.1 | I355 C357 T362 S363 I412 F441 A444 F445 F448 | I355-L359 HydrophobicContact CG2-CD1 3.95Å; I355-L359 HydrophobicContact CG2-CG 4.16Å; I355-L359 WeakPolarHBondContact O-CG 3.31Å; I355-L359 PolarHBondContact O-N 2.93Å; C357-L359 VanDerWaalsContact C-N 3.35Å; C357-L359 PolarHBondContact O-N 3.13Å; L359-T362 VanDerWaalsContact CA-OG1 3.32Å; L359-T362 WeakPolarHBondContact CA-OG1 3.22Å; L359-T362 PolarHBondContact O-OG1 3.16Å; L359-S363 VanDerWaalsContact O-CB 3.28Å; L359-S363 WeakPolarHBondContact O-CB 3.36Å; L359-S363 PolarHBondContact O-N 3.3Å; L359-S363 PolarHBondContact O-OG 2.63Å; L359-I412 HydrophobicContact CD1-CD1 4.28Å; L359-I412 HydrophobicContact CD2-CD1 3.9Å; L359-F441 HydrophobicContact CD1-CD2 4.08Å; L359-F441 HydrophobicContact CD1-CE2 3.84Å; L359-A444 HydrophobicContact CB-CB 4.07Å; L359-A444 HydrophobicContact CD1-CB 4.23Å; L359-F445 HydrophobicContact CD1-CB 4.1Å; L359-F448 HydrophobicContact CB-CB 4.47Å; L359-F448 HydrophobicContact CD2-CB 3.58Å; L359-F448 HydrophobicContact CD2-CD1 3.63Å; L359-F448 HydrophobicContact CD2-CD2 3.86Å; L359-F448 HydrophobicContact CD2-CE1 4.25Å; L359-F448 HydrophobicContact CD2-CE2 4.47Å; L359-F448 HydrophobicContact CD2-CG 3.39Å |
| 360 | N | 83.4 | Confident | 77.3 | Confident | 19 Ų | 19 | 30.9 Ų | 30.9 | 10% | 0.102 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -73.8 | -29.5 | 177.2 | -75.1 | -38 | 0 | 0 | 0 | 113.2 | T356 C357 H358 S363 G364 R365 I366 | T356-N360 WeakPolarHBondContact CG2-ND2 3.37Å; T356-N360 VanDerWaalsContact O-CB 3.32Å; T356-N360 WeakPolarHBondContact O-CB 3.11Å; T356-N360 PolarHBondContact O-N 3.14Å; T356-N360 PolarHBondContact O-ND2 3.49Å; C357-N360 PolarHBondContact O-N 3.19Å; C357-N360 VanDerWaalsContact O-N 3.15Å; H358-N360 VanDerWaalsContact C-N 3.35Å; N360-S363 WeakPolarHBondContact CA-OG 3.34Å; N360-S363 PolarHBondContact O-OG 2.93Å; N360-G364 PolarHBondContact O-N 2.65Å; N360-R365 HydrophobicContact CB-CB 4.26Å; N360-R365 PolarHBondContact O-N 3Å; N360-R365 WeakPolarHBondContact OD1-CD 3.26Å; N360-I366 HydrophobicContact CB-CD1 3.61Å; N360-I366 HydrophobicContact CB-CG1 3.95Å; N360-I366 PolarHBondContact O-N 3.41Å; N360-I366 VanDerWaalsContact O-N 3.14Å |
| 361 | L | 80.6 | Confident | 76.1 | Confident | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -68.5 | -51.8 | 171.3 | -74.5 | 167.9 | 0 | 0 | 0 | 110.2 | W235 L293 Q298 C357 H358 S363 G364 I366 L368 | W235-L361 HydrophobicContact CH2-CD1 4.09Å; W235-L361 HydrophobicContact CH2-CD2 3.99Å; W235-L361 HydrophobicContact CH2-CG 4.36Å; W235-L361 HydrophobicContact CZ3-CD1 4.48Å; W235-L361 HydrophobicContact CZ3-CD2 4.41Å; L293-L361 HydrophobicContact CD2-CD1 3.34Å; Q298-L361 HydrophobicContact CB-CB 4.49Å; Q298-L361 HydrophobicContact CB-CD2 4.14Å; Q298-L361 HydrophobicContact CG-CB 4.28Å; Q298-L361 VanDerWaalsContact CG-O 3.23Å; Q298-L361 WeakPolarHBondContact CG-O 3.24Å; Q298-L361 PolarHBondContact NE2-O 3.28Å; C357-L361 WeakPolarHBondContact O-CG 3.25Å; C357-L361 PolarHBondContact O-N 2.87Å; H358-L361 PolarHBondContact O-N 3.4Å; L361-S363 PolarHBondContact O-N 2.94Å; L361-G364 PolarHBondContact O-N 3.03Å; L361-I366 HydrophobicContact CD2-CB 3.95Å; L361-I366 HydrophobicContact CD2-CG2 3.74Å; L361-L368 HydrophobicContact CD2-CD1 4.26Å; L361-L368 HydrophobicContact CD2-CD2 4.47Å; L361-L368 HydrophobicContact CD2-CG 4.31Å |
| 362 | T | 79.4 | Confident | 74.3 | Confident | 6 Ų | 6 | 37.6 Ų | 37.6 | 4% | 0.037 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60.8 | -41.9 | 179.9 | 47.4 | 0 | 0 | 0 | 0 | 113.2 | H358 L359 G364 Y404 L408 F448 F451 | H358-T362 WeakPolarHBondContact O-CG2 3.23Å; H358-T362 PolarHBondContact O-N 2.75Å; H358-T362 PolarHBondContact O-OG1 3.26Å; L359-T362 VanDerWaalsContact CA-OG1 3.32Å; L359-T362 WeakPolarHBondContact CA-OG1 3.22Å; L359-T362 PolarHBondContact O-OG1 3.16Å; T362-G364 PolarHBondContact O-N 2.92Å; T362-Y404 HydrophobicContact CG2-CD1 4.11Å; T362-Y404 HydrophobicContact CG2-CE1 3.6Å; T362-L408 HydrophobicContact CG2-CD1 4.03Å; T362-F448 HydrophobicContact CG2-CE2 4.32Å; T362-F448 VanDerWaalsContact OG1-CD2 3.22Å; T362-F448 WeakPolarHBondContact OG1-CD2 3.26Å; T362-F448 WeakPolarHBondContact OG1-CE2 3.39Å; T362-F451 WeakPolarHBondContact O-CD1 3.31Å; T362-F451 WeakPolarHBondContact O-CE1 3.38Å |
| 363 | S | 77 | Confident | 72.4 | Confident | 9 Ų | 9 | 43.1 Ų | 43.1 | 6% | 0.063 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -3.8 | 174.6 | 59.5 | 0 | 0 | 0 | 0 | 114.8 | L359 N360 L361 R365 F451 | L359-S363 VanDerWaalsContact O-CB 3.28Å; L359-S363 WeakPolarHBondContact O-CB 3.36Å; L359-S363 PolarHBondContact O-N 3.3Å; L359-S363 PolarHBondContact O-OG 2.63Å; N360-S363 WeakPolarHBondContact CA-OG 3.34Å; N360-S363 PolarHBondContact O-OG 2.93Å; L361-S363 PolarHBondContact O-N 2.94Å; S363-R365 VanDerWaalsContact C-N 3.26Å; S363-R365 PolarHBondContact O-N 3.38Å; S363-F451 VanDerWaalsContact CA-CD1 3.49Å; S363-F451 WeakPolarHBondContact O-CD2 3.31Å; S363-F451 VanDerWaalsContact O-CE2 3.32Å; S363-F451 WeakPolarHBondContact O-CE2 3.35Å; S363-F451 WeakPolarHBondContact O-CZ 3.28Å |
| 364 | G | 69.5 | Low | 70 | Confident | 33 Ų | 33 | 49.5 Ų | 49.5 | 34% | 0.34 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73 | 10.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | N360 L361 T362 I366 V367 | N360-G364 PolarHBondContact O-N 2.65Å; L361-G364 PolarHBondContact O-N 3.03Å; T362-G364 PolarHBondContact O-N 2.92Å; G364-I366 VanDerWaalsContact C-N 3.33Å; G364-V367 WeakPolarHBondContact O-CG2 3.3Å |
| 365 | R | 68 | Low | 67.6 | Low | 139 Ų | 139 | 57 Ų | 57 | 53% | 0.525 | 31% | 0.306 | S | S | . | . | S | Bend | trans | -64.8 | -39.1 | 174.1 | -83 | -169.4 | 145.4 | 172.8 | 9.1 | 112.6 | N360 S363 E447 | N360-R365 HydrophobicContact CB-CB 4.26Å; N360-R365 PolarHBondContact O-N 3Å; N360-R365 WeakPolarHBondContact OD1-CD 3.26Å; S363-R365 VanDerWaalsContact C-N 3.26Å; S363-R365 PolarHBondContact O-N 3.38Å; R365-E447 WeakPolarHBondContact CD-OE2 3.36Å; R365-E447 IonicContact CZ-OE1 2.92Å; R365-E447 IonicContact CZ-OE2 3.14Å; R365-E447 IonicContact NE-OE2 2.69Å; R365-E447 PolarHBondContact NE-OE2 3.31Å; R365-E447 VanDerWaalsContact NH1-CD 3.33Å; R365-E447 IonicContact NH1-OE1 3.94Å; R365-E447 PolarHBondContact NH1-OE1 3.48Å; R365-E447 IonicContact NH1-OE2 3.24Å; R365-E447 PolarHBondContact NH1-OE2 3.35Å; R365-E447 IonicContact NH2-OE1 2.68Å; R365-E447 PolarHBondContact NH2-OE1 3.03Å; R365-E447 IonicContact NH2-OE2 2.62Å; R365-E447 PolarHBondContact NH2-OE2 2.83Å |
| 366 | I | 70.2 | Confident | 64.9 | Low | 8 Ų | 8 | 60.7 Ų | 60.7 | 4% | 0.041 | 34% | 0.344 | C | S | . | . | S | Bend | trans | -97 | 101 | 174 | -63 | 170.1 | 0 | 0 | 0 | 106.6 | W235 N360 L361 G364 L368 | W235-I366 HydrophobicContact CH2-CG2 4.32Å; W235-I366 HydrophobicContact CZ2-CD1 4.25Å; W235-I366 HydrophobicContact CZ2-CG2 3.59Å; N360-I366 HydrophobicContact CB-CD1 3.61Å; N360-I366 HydrophobicContact CB-CG1 3.95Å; N360-I366 PolarHBondContact O-N 3.41Å; N360-I366 VanDerWaalsContact O-N 3.14Å; L361-I366 HydrophobicContact CD2-CB 3.95Å; L361-I366 HydrophobicContact CD2-CG2 3.74Å; G364-I366 VanDerWaalsContact C-N 3.33Å; I366-L368 HydrophobicContact CG2-CD2 4.06Å |
| 367 | V | 67 | Low | 62.3 | Low | 107 Ų | 107 | 63.7 Ų | 63.7 | 65% | 0.648 | 38% | 0.379 | S | S | * | . | P | Polyproline II helix | trans | -91.7 | 121.4 | 171.6 | -176.4 | 0 | 0 | 0 | 0 | 108.1 | G364 | G364-V367 WeakPolarHBondContact O-CG2 3.3Š|
| 368 | L | 67.3 | Low | 59.9 | Low | 22 Ų | 22 | 69.7 Ų | 69.7 | 12% | 0.115 | 41% | 0.411 | C | S | . | . | P | Polyproline II helix | trans | -82.8 | 119.3 | 177.1 | -60.4 | 177 | 0 | 0 | 0 | 109.1 | W235 Q298 C299 A302 L361 I366 | W235-L368 HydrophobicContact CB-CD2 4.16Å; W235-L368 HydrophobicContact CD2-CD2 3.22Å; W235-L368 HydrophobicContact CE3-CD1 4.38Å; W235-L368 HydrophobicContact CE3-CD2 3.37Å; W235-L368 HydrophobicContact CG-CD2 3.56Å; W235-L368 HydrophobicContact CH2-CD2 4.33Å; W235-L368 HydrophobicContact CZ2-CD2 4.22Å; W235-L368 HydrophobicContact CZ3-CD2 3.92Å; Q298-L368 HydrophobicContact CB-CD1 4.37Å; C299-L368 HydrophobicContact CB-CD1 4.27Å; C299-L368 WeakPolarHBondContact SG-CD1 3.47Å; A302-L368 HydrophobicContact CB-CB 3.84Å; A302-L368 HydrophobicContact CB-CD1 4.33Å; L361-L368 HydrophobicContact CD2-CD1 4.26Å; L361-L368 HydrophobicContact CD2-CD2 4.47Å; L361-L368 HydrophobicContact CD2-CG 4.31Å; I366-L368 HydrophobicContact CG2-CD2 4.06Å |
| 369 | N | 61.3 | Low | 57.4 | Low | 107 Ų | 107 | 80 Ų | 80 | 57% | 0.572 | 46% | 0.456 | S | S | * | . | P | Polyproline II helix | trans | -73.7 | 147.9 | 177.2 | -76.7 | -15.4 | 0 | 0 | 0 | 111.3 | ||
| 370 | K | 57.9 | Low | 55 | Low | 130 Ų | 130 | 87.7 Ų | 87.7 | 57% | 0.565 | 49% | 0.489 | S | S | * | . | P | Polyproline II helix | trans | -52.3 | 145.2 | 175.2 | -52.6 | -171.9 | -172.7 | -117.7 | 0 | 111.4 | E305 S372 | E305-K370 IonicContact OE1-NZ 3.84Å; E305-K370 PolarHBondContact OE1-NZ 3.38Å; E305-K370 WeakPolarHBondContact OE2-CD 3.49Å; E305-K370 WeakPolarHBondContact OE2-CE 3.13Å; E305-K370 WeakPolarHBondContact OE2-CG 3.43Å; E305-K370 IonicContact OE2-NZ 3.85Å; E305-K370 PolarHBondContact OE2-NZ 3.25Å; K370-S372 PolarHBondContact O-N 3.49Å |
| 371 | I | 50.6 | Low | 52.9 | Low | 59 Ų | 59 | 93.2 Ų | 93.2 | 30% | 0.303 | 52% | 0.519 | S | S | . | . | trans | -70.6 | 84.1 | 164.3 | -51.1 | 171.5 | 0 | 0 | 0 | 107.3 | L239 T373 | L239-I371 HydrophobicContact CB-CD1 3.98Å; L239-I371 HydrophobicContact CB-CG1 4.26Å; L239-I371 HydrophobicContact CD1-CG1 4.24Å; I371-T373 HydrophobicContact CG2-CG2 4.48Å; I371-T373 PolarHBondContact O-N 3.09Å; I371-T373 VanDerWaalsContact O-N 3.12Å | ||
| 372 | S | 46.5 | Very low | 51.3 | Low | 91 Ų | 91 | 99.5 Ų | 99.5 | 64% | 0.636 | 55% | 0.552 | S | S | * | * | trans | -75.8 | 98.8 | 167.1 | 67.8 | 0 | 0 | 0 | 0 | 107.6 | K370 Q374 | K370-S372 PolarHBondContact O-N 3.49Å; S372-Q374 VanDerWaalsContact C-N 3.25Å; S372-Q374 PolarHBondContact O-N 2.95Å | ||
| 373 | T | 42 | Very low | 49.6 | Very low | 117 Ų | 117 | 105.2 Ų | 105.2 | 72% | 0.718 | 58% | 0.583 | S | S | * | * | trans | -62.3 | 96.1 | 159.5 | 49.5 | 0 | 0 | 0 | 0 | 106.9 | I371 N375 | I371-T373 HydrophobicContact CG2-CG2 4.48Å; I371-T373 PolarHBondContact O-N 3.09Å; I371-T373 VanDerWaalsContact O-N 3.12Å; T373-N375 PolarHBondContact O-N 2.89Å | ||
| 374 | Q | 31.9 | Very low | 48.1 | Very low | 175 Ų | 175 | 110.9 Ų | 110.9 | 82% | 0.818 | 61% | 0.612 | S | S | * | * | trans | -65.7 | 84.5 | 166.3 | -75.8 | -172.4 | -1.2 | 0 | 0 | 107.8 | S372 | S372-Q374 VanDerWaalsContact C-N 3.25Å; S372-Q374 PolarHBondContact O-N 2.95Å | ||
| 375 | N | 32.7 | Very low | 47 | Very low | 158 Ų | 158 | 114.8 Ų | 114.8 | 85% | 0.845 | 62% | 0.622 | S | S | * | * | trans | -159.6 | 114.2 | 160.7 | -91.4 | -26.3 | 0 | 0 | 0 | 108.7 | T373 | T373-N375 PolarHBondContact O-N 2.89Š| ||
| 376 | G | 31.2 | Very low | 46.3 | Very low | 77 Ų | 77 | 113.6 Ų | 113.6 | 79% | 0.794 | 63% | 0.626 | S | S | * | * | trans | 101.5 | 89.3 | 169.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | N378 | G376-N378 PolarHBondContact O-N 3.27Å; G376-N378 VanDerWaalsContact O-N 3.09Å | ||
| 377 | G | 31.2 | Very low | 45.5 | Very low | 80 Ų | 80 | 118.5 Ų | 118.5 | 83% | 0.825 | 65% | 0.651 | S | S | * | * | trans | -60 | 112.7 | 169.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 378 | N | 35.7 | Very low | 44.7 | Very low | 127 Ų | 127 | 115.3 Ų | 115.3 | 68% | 0.679 | 63% | 0.633 | S | S | * | * | trans | -140.3 | 111.4 | 153.8 | -91 | -28.9 | 0 | 0 | 0 | 107.7 | G376 F380 | G376-N378 PolarHBondContact O-N 3.27Å; G376-N378 VanDerWaalsContact O-N 3.09Å; N378-F380 HydrophobicContact CB-CD2 3.59Å; N378-F380 HydrophobicContact CB-CE2 3.49Å; N378-F380 VanDerWaalsContact CB-CE2 3.49Å; N378-F380 PolarHBondContact O-N 3.42Å | ||
| 379 | K | 35.7 | Very low | 44 | Very low | 217 Ų | 217 | 116.3 Ų | 116.3 | 94% | 0.943 | 64% | 0.642 | S | S | * | * | trans | -61.9 | 87 | 167 | -76.8 | 176.1 | 172.9 | 177.5 | 0 | 108.1 | ||||
| 380 | F | 36 | Very low | 43.5 | Very low | 160 Ų | 160 | 113.9 Ų | 113.9 | 70% | 0.702 | 64% | 0.636 | S | S | * | * | trans | -88.6 | 139.3 | 168.6 | -84.1 | -75.2 | 0 | 0 | 0 | 110 | N378 | N378-F380 HydrophobicContact CB-CD2 3.59Å; N378-F380 HydrophobicContact CB-CE2 3.49Å; N378-F380 VanDerWaalsContact CB-CE2 3.49Å; N378-F380 PolarHBondContact O-N 3.42Å | ||
| 381 | N | 38.7 | Very low | 43.1 | Very low | 135 Ų | 135 | 112 Ų | 112 | 72% | 0.722 | 63% | 0.632 | S | S | * | * | trans | -55 | 128.7 | -166.6 | -69 | -34.7 | 0 | 0 | 0 | 114 | N383 | N381-N383 PolarHBondContact O-N 2.69Š| ||
| 382 | N | 47.9 | Very low | 43.3 | Very low | 132 Ų | 132 | 110 Ų | 110 | 71% | 0.706 | 63% | 0.625 | S | S | * | * | G | 310 helix | trans | -54.8 | -18.1 | -179.9 | -90.7 | -2.8 | 0 | 0 | 0 | 115.7 | N384 | N382-N384 PolarHBondContact O-N 3.14Š|
| 383 | N | 43.7 | Very low | 43.4 | Very low | 127 Ų | 127 | 111.1 Ų | 111.1 | 68% | 0.679 | 62% | 0.621 | S | S | * | * | G | 310 helix | trans | -80 | -19 | -168.1 | -64.8 | 6.9 | 0 | 0 | 0 | 114.5 | N381 | N381-N383 PolarHBondContact O-N 2.69Š|
| 384 | N | 45.1 | Very low | 43.8 | Very low | 128 Ų | 128 | 110 Ų | 110 | 68% | 0.684 | 61% | 0.611 | S | S | * | * | G | 310 helix | trans | -88 | -15.2 | 179 | -74.9 | 0.1 | 0 | 0 | 0 | 113.1 | N382 | N382-N384 PolarHBondContact O-N 3.14Š|
| 385 | H | 45.9 | Very low | 44.8 | Very low | 115 Ų | 115 | 107.1 Ų | 107.1 | 53% | 0.532 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -74.4 | -25.1 | 178.6 | -84.7 | -62.9 | 0 | 0 | 0 | 113.2 | I387 S388 S389 | H385-I387 VanDerWaalsContact C-N 3.34Å; H385-I387 PolarHBondContact O-N 2.93Å; H385-S388 PolarHBondContact O-OG 2.86Å; H385-S389 WeakPolarHBondContact O-CB 3.43Å; H385-S389 PolarHBondContact O-N 3.37Å; H385-S389 PolarHBondContact O-OG 3.09Å |
| 386 | D | 54 | Low | 45.6 | Very low | 114 Ų | 114 | 102.4 Ų | 102.4 | 61% | 0.61 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -68.3 | -34.4 | 178.1 | -69.9 | -15.6 | 0 | 0 | 0 | 111.8 | S389 A390 | D386-S389 PolarHBondContact O-OG 2.65Å; D386-S389 VanDerWaalsContact O-OG 3.12Å; D386-A390 WeakPolarHBondContact O-CB 3.27Å; D386-A390 PolarHBondContact O-N 3.41Å; D386-A390 VanDerWaalsContact O-N 3.09Å |
| 387 | I | 52.7 | Low | 46.4 | Very low | 111 Ų | 111 | 106.9 Ų | 106.9 | 57% | 0.569 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -77.6 | -40 | 179.1 | -59.8 | 170.5 | 0 | 0 | 0 | 111.1 | H385 A390 L391 | H385-I387 VanDerWaalsContact C-N 3.34Å; H385-I387 PolarHBondContact O-N 2.93Å; I387-A390 PolarHBondContact O-N 3.45Å; I387-L391 HydrophobicContact CG2-CD1 3.94Å; I387-L391 WeakPolarHBondContact O-CB 3.47Å; I387-L391 PolarHBondContact O-N 3.01Å |
| 388 | S | 50.9 | Low | 47.1 | Very low | 40 Ų | 40 | 110.1 Ų | 110.1 | 28% | 0.28 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -69.7 | -39.3 | 179.4 | 62.2 | 0 | 0 | 0 | 0 | 112.3 | H385 L391 A392 | H385-S388 PolarHBondContact O-OG 2.86Å; S388-L391 PolarHBondContact O-N 3.01Å; S388-A392 WeakPolarHBondContact O-CB 3.4Å; S388-A392 PolarHBondContact O-N 2.83Å |
| 389 | S | 51.6 | Low | 47.8 | Very low | 43 Ų | 43 | 105.8 Ų | 105.8 | 30% | 0.301 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -65.8 | -40 | 172.2 | 57.1 | 0 | 0 | 0 | 0 | 111.9 | H385 D386 A392 M393 | H385-S389 WeakPolarHBondContact O-CB 3.43Å; H385-S389 PolarHBondContact O-N 3.37Å; H385-S389 PolarHBondContact O-OG 3.09Å; D386-S389 PolarHBondContact O-OG 2.65Å; D386-S389 VanDerWaalsContact O-OG 3.12Å; S389-A392 PolarHBondContact O-N 3.29Å; S389-M393 WeakPolarHBondContact O-CB 3.45Å; S389-M393 VanDerWaalsContact O-CG 3.27Å; S389-M393 WeakPolarHBondContact O-CG 3.36Å; S389-M393 PolarHBondContact O-N 3.32Å |
| 390 | A | 51.4 | Low | 48.8 | Very low | 55 Ų | 55 | 102 Ų | 102 | 46% | 0.455 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.8 | -42.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | D386 I387 M393 D394 | D386-A390 WeakPolarHBondContact O-CB 3.27Å; D386-A390 PolarHBondContact O-N 3.41Å; D386-A390 VanDerWaalsContact O-N 3.09Å; I387-A390 PolarHBondContact O-N 3.45Å; A390-M393 WeakPolarHBondContact O-CB 3.43Å; A390-M393 PolarHBondContact O-N 3.47Å; A390-D394 PolarHBondContact O-N 3.35Å |
| 391 | L | 50.6 | Low | 50.3 | Low | 90 Ų | 90 | 95.9 Ų | 95.9 | 47% | 0.471 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65.1 | -37.5 | 175.1 | -88.7 | 157.3 | 0 | 0 | 0 | 112.7 | I387 S388 D394 R395 | I387-L391 HydrophobicContact CG2-CD1 3.94Å; I387-L391 WeakPolarHBondContact O-CB 3.47Å; I387-L391 PolarHBondContact O-N 3.01Å; S388-L391 PolarHBondContact O-N 3.01Å; L391-D394 PolarHBondContact O-N 3.16Å; L391-R395 WeakPolarHBondContact O-CB 3.24Å; L391-R395 WeakPolarHBondContact O-CG 3.43Å; L391-R395 PolarHBondContact O-N 3.27Å |
| 392 | A | 53.3 | Low | 52 | Low | 18 Ų | 18 | 92.5 Ų | 92.5 | 15% | 0.149 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -64.6 | -43.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | V304 S388 S389 R395 Q396 | V304-A392 HydrophobicContact CG1-CB 4.03Å; S388-A392 WeakPolarHBondContact O-CB 3.4Å; S388-A392 PolarHBondContact O-N 2.83Å; S389-A392 PolarHBondContact O-N 3.29Å; A392-R395 PolarHBondContact O-N 3.3Å; A392-Q396 WeakPolarHBondContact O-CB 3.11Å; A392-Q396 PolarHBondContact O-N 3.43Å |
| 393 | M | 48.8 | Very low | 53.6 | Low | 114 Ų | 114 | 90.1 Ų | 90.1 | 56% | 0.562 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -63 | -40.5 | 174.1 | -72.4 | -78.9 | -70.7 | 0 | 0 | 112.4 | S389 A390 Q396 K397 | S389-M393 WeakPolarHBondContact O-CB 3.45Å; S389-M393 VanDerWaalsContact O-CG 3.27Å; S389-M393 WeakPolarHBondContact O-CG 3.36Å; S389-M393 PolarHBondContact O-N 3.32Å; A390-M393 WeakPolarHBondContact O-CB 3.43Å; A390-M393 PolarHBondContact O-N 3.47Å; M393-Q396 PolarHBondContact O-N 3.23Å; M393-K397 PolarHBondContact O-N 3.39Å |
| 394 | D | 51.9 | Low | 55.6 | Low | 93 Ų | 93 | 84.3 Ų | 84.3 | 50% | 0.497 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -69.5 | -39.7 | 177.6 | -115.8 | 11.9 | 0 | 0 | 0 | 111.8 | A390 L391 Q396 K397 Q398 | A390-D394 PolarHBondContact O-N 3.35Å; L391-D394 PolarHBondContact O-N 3.16Å; D394-Q396 VanDerWaalsContact C-N 3.3Å; D394-Q396 PolarHBondContact O-N 3.34Å; D394-K397 PolarHBondContact O-N 3.33Å; D394-Q398 WeakPolarHBondContact O-CG 3.24Å; D394-Q398 PolarHBondContact O-N 3.39Å |
| 395 | R | 52.2 | Low | 57.5 | Low | 116 Ų | 116 | 79.4 Ų | 79.4 | 44% | 0.438 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -64.8 | -34.6 | 172.7 | -75.2 | -179.8 | -178.2 | 178.4 | 0.7 | 111.8 | L391 A392 Q398 A399 | L391-R395 WeakPolarHBondContact O-CB 3.24Å; L391-R395 WeakPolarHBondContact O-CG 3.43Å; L391-R395 PolarHBondContact O-N 3.27Å; A392-R395 PolarHBondContact O-N 3.3Å; R395-Q398 PolarHBondContact O-N 3.19Å; R395-A399 WeakPolarHBondContact O-CB 3.41Å; R395-A399 PolarHBondContact O-N 2.93Å |
| 396 | Q | 49.3 | Very low | 59.5 | Low | 59 Ų | 59 | 75.8 Ų | 75.8 | 28% | 0.276 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -67.6 | -42 | 172.8 | -172.8 | -179.4 | -0.6 | 0 | 0 | 112 | A392 M393 D394 Q398 A399 | A392-Q396 WeakPolarHBondContact O-CB 3.11Å; A392-Q396 PolarHBondContact O-N 3.43Å; M393-Q396 PolarHBondContact O-N 3.23Å; D394-Q396 VanDerWaalsContact C-N 3.3Å; D394-Q396 PolarHBondContact O-N 3.34Å; Q396-Q398 VanDerWaalsContact C-N 3.26Å; Q396-Q398 PolarHBondContact O-N 3.38Å; Q396-A399 CarbonylContact O-C 3.32Å; Q396-A399 PolarHBondContact O-N 3.28Å; Q396-A399 VanDerWaalsContact O-O 3.12Å |
| 397 | K | 48.5 | Very low | 61.2 | Low | 171 Ų | 171 | 72.2 Ų | 72.2 | 74% | 0.743 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -62.7 | -33.2 | 171.9 | -80 | -174.5 | 176.1 | -178 | 0 | 112.5 | M393 D394 | M393-K397 PolarHBondContact O-N 3.39Å; D394-K397 PolarHBondContact O-N 3.33Å |
| 398 | Q | 45.9 | Very low | 63 | Low | 148 Ų | 148 | 67 Ų | 67 | 69% | 0.692 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -74.9 | -32.8 | 175.2 | -73.1 | 175.2 | 0.3 | 0 | 0 | 112.6 | D394 R395 Q396 K400 | D394-Q398 WeakPolarHBondContact O-CG 3.24Å; D394-Q398 PolarHBondContact O-N 3.39Å; R395-Q398 PolarHBondContact O-N 3.19Å; Q396-Q398 VanDerWaalsContact C-N 3.26Å; Q396-Q398 PolarHBondContact O-N 3.38Å; Q398-K400 PolarHBondContact O-N 3.48Å |
| 399 | A | 50.5 | Low | 64.9 | Low | 35 Ų | 35 | 65 Ų | 65 | 29% | 0.289 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -78.2 | 74.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | R395 Q396 C401 | R395-A399 WeakPolarHBondContact O-CB 3.41Å; R395-A399 PolarHBondContact O-N 2.93Å; Q396-A399 CarbonylContact O-C 3.32Å; Q396-A399 PolarHBondContact O-N 3.28Å; Q396-A399 VanDerWaalsContact O-O 3.12Å; A399-C401 PolarHBondContact O-N 3.17Å |
| 400 | K | 56.9 | Low | 66.7 | Low | 138 Ų | 138 | 66 Ų | 66 | 60% | 0.6 | 33% | 0.331 | S | S | * | . | trans | -28.5 | 94.2 | 177.1 | -61.4 | -179.6 | 178.5 | -174.8 | 0 | 112.9 | Q398 D402 | Q398-K400 PolarHBondContact O-N 3.48Å; K400-D402 PolarHBondContact O-N 2.9Å | ||
| 401 | C | 66.8 | Low | 68.5 | Low | 32 Ų | 32 | 63.4 Ų | 63.4 | 22% | 0.216 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -15.4 | 176 | -67.8 | 0 | 0 | 0 | 0 | 111.9 | A399 D403 Y404 E405 | A399-C401 PolarHBondContact O-N 3.17Å; C401-D403 VanDerWaalsContact C-N 3.32Å; C401-D403 PolarHBondContact O-N 3.4Å; C401-Y404 PolarHBondContact O-N 3.26Å; C401-Y404 VanDerWaalsContact O-N 3.11Å; C401-E405 PolarHBondContact O-N 3.17Å; C401-E405 VanDerWaalsContact O-N 3.08Å |
| 402 | D | 74.6 | Confident | 70.3 | Confident | 64 Ų | 64 | 59.1 Ų | 59.1 | 34% | 0.342 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -55.8 | -42.7 | -174.8 | -51.8 | -38.2 | 0 | 0 | 0 | 112.3 | K400 Y404 E405 M406 N454 | K400-D402 PolarHBondContact O-N 2.9Å; D402-Y404 VanDerWaalsContact C-N 3.28Å; D402-Y404 PolarHBondContact O-N 3.37Å; D402-E405 PolarHBondContact O-N 3.36Å; D402-M406 VanDerWaalsContact O-CB 3.23Å; D402-M406 WeakPolarHBondContact O-CB 3.41Å; D402-M406 WeakPolarHBondContact O-CG 3.07Å; D402-M406 PolarHBondContact O-N 3.44Å; D402-N454 PolarHBondContact OD1-ND2 3.13Å |
| 403 | D | 81.6 | Confident | 72 | Confident | 81 Ų | 81 | 63.5 Ų | 63.5 | 43% | 0.433 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -61.4 | -38.9 | -179.5 | -63.6 | -25.2 | 0 | 0 | 0 | 111.7 | R321 L325 C401 K407 | R321-D403 IonicContact CZ-OD2 3.17Å; R321-D403 IonicContact NH1-OD2 3.01Å; R321-D403 PolarHBondContact NH1-OD2 3.47Å; L325-D403 HydrophobicContact CD1-CB 4.21Å; L325-D403 HydrophobicContact CD2-CB 4.32Å; C401-D403 VanDerWaalsContact C-N 3.32Å; C401-D403 PolarHBondContact O-N 3.4Å; D403-K407 VanDerWaalsContact O-CB 3.32Å; D403-K407 WeakPolarHBondContact O-CB 3.16Å; D403-K407 PolarHBondContact O-N 3.29Å |
| 404 | Y | 84.7 | Confident | 73.6 | Confident | 5 Ų | 5 | 59.8 Ų | 59.8 | 2% | 0.02 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -73.8 | -46.1 | -178.9 | 177.8 | -88.1 | 0 | 0 | 0 | 111.1 | P297 L328 H358 T362 C401 D402 K407 L408 | P297-Y404 HydrophobicContact CG-CD1 4.48Å; L328-Y404 HydrophobicContact CD1-CD2 3.69Å; L328-Y404 HydrophobicContact CD1-CE2 3.46Å; L328-Y404 VanDerWaalsContact CD1-CE2 3.46Å; H358-Y404 VanDerWaalsContact CG-OH 3.28Å; H358-Y404 PolarHBondContact ND1-OH 3.27Å; T362-Y404 HydrophobicContact CG2-CD1 4.11Å; T362-Y404 HydrophobicContact CG2-CE1 3.6Å; C401-Y404 PolarHBondContact O-N 3.26Å; C401-Y404 VanDerWaalsContact O-N 3.11Å; D402-Y404 VanDerWaalsContact C-N 3.28Å; D402-Y404 PolarHBondContact O-N 3.37Å; Y404-K407 PolarHBondContact O-N 3.23Å; Y404-L408 HydrophobicContact CD1-CD1 4.03Å; Y404-L408 HydrophobicContact CE1-CD1 3.5Å; Y404-L408 VanDerWaalsContact CE1-CD1 3.5Å; Y404-L408 HydrophobicContact CE1-CG 4.22Å; Y404-L408 WeakPolarHBondContact O-CG 3.37Å; Y404-L408 PolarHBondContact O-N 2.8Å |
| 405 | E | 85.8 | Confident | 75.1 | Confident | 25 Ų | 25 | 55.4 Ų | 55.4 | 12% | 0.117 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -61.4 | -46.3 | 175.5 | -69.7 | -174.7 | -177 | 0 | 0 | 111.4 | C401 D402 K407 L408 V409 F448 T457 | C401-E405 PolarHBondContact O-N 3.17Å; C401-E405 VanDerWaalsContact O-N 3.08Å; D402-E405 PolarHBondContact O-N 3.36Å; E405-K407 VanDerWaalsContact C-N 3.33Å; E405-K407 PolarHBondContact O-N 3.41Å; E405-L408 WeakPolarHBondContact O-CB 3.46Å; E405-L408 PolarHBondContact O-N 3.02Å; E405-V409 WeakPolarHBondContact O-CG2 3.39Å; E405-V409 PolarHBondContact O-N 3.18Å; E405-F448 HydrophobicContact CB-CZ 4.23Å; E405-F448 HydrophobicContact CG-CE2 4.29Å; E405-F448 HydrophobicContact CG-CZ 4.34Å; E405-T457 HydrophobicContact CB-CG2 3.73Å; E405-T457 PolarHBondContact OE2-OG1 2.8Å |
| 406 | M | 88.3 | Confident | 76.4 | Confident | 39 Ų | 39 | 49.9 Ų | 49.9 | 19% | 0.192 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.8 | -38.3 | 177.3 | -71.8 | -61.2 | -75.8 | 0 | 0 | 112 | D402 L408 V409 E410 E456 T457 | D402-M406 VanDerWaalsContact O-CB 3.23Å; D402-M406 WeakPolarHBondContact O-CB 3.41Å; D402-M406 WeakPolarHBondContact O-CG 3.07Å; D402-M406 PolarHBondContact O-N 3.44Å; M406-L408 VanDerWaalsContact C-N 3.35Å; M406-L408 PolarHBondContact O-N 3.47Å; M406-V409 WeakPolarHBondContact O-CB 3Å; M406-V409 PolarHBondContact O-N 3.19Å; M406-E410 WeakPolarHBondContact O-CG 2.98Å; M406-E410 PolarHBondContact O-N 2.8Å; M406-E456 HydrophobicContact CE-CG 4.03Å; M406-E456 HydrophobicContact SD-CG 4.31Å; M406-T457 HydrophobicContact CG-CG2 3.85Å; M406-T457 HydrophobicContact SD-CG2 3.53Å; M406-T457 VanDerWaalsContact SD-CG2 3.53Å |
| 407 | K | 89.8 | Confident | 77.6 | Confident | 39 Ų | 39 | 50.9 Ų | 50.9 | 17% | 0.17 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64.2 | -39.3 | 174.8 | -161.6 | 74.6 | -162.7 | 169.8 | 0 | 112.3 | L325 L328 T329 H332 D403 Y404 E405 V409 E410 I411 | L325-K407 HydrophobicContact CD2-CB 4.45Å; L328-K407 HydrophobicContact CB-CG 3.99Å; T329-K407 HydrophobicContact CG2-CD 4.18Å; H332-K407 WeakPolarHBondContact ND1-CE 3.4Å; H332-K407 PolarHBondContact ND1-NZ 3.46Å; H332-K407 VanDerWaalsContact ND1-NZ 3.17Å; D403-K407 VanDerWaalsContact O-CB 3.32Å; D403-K407 WeakPolarHBondContact O-CB 3.16Å; D403-K407 PolarHBondContact O-N 3.29Å; Y404-K407 PolarHBondContact O-N 3.23Å; E405-K407 VanDerWaalsContact C-N 3.33Å; E405-K407 PolarHBondContact O-N 3.41Å; K407-V409 VanDerWaalsContact C-N 3.33Å; K407-E410 WeakPolarHBondContact CD-OE2 3.25Å; K407-E410 WeakPolarHBondContact CE-OE2 3.43Å; K407-E410 IonicContact NZ-OE2 3.22Å; K407-E410 PolarHBondContact NZ-OE2 2.81Å; K407-E410 PolarHBondContact O-N 3.01Å; K407-I411 HydrophobicContact CG-CD1 4.4Å; K407-I411 WeakPolarHBondContact O-CD1 3.47Å; K407-I411 VanDerWaalsContact O-CG1 3.29Å; K407-I411 WeakPolarHBondContact O-CG1 3.28Å; K407-I411 PolarHBondContact O-N 3.08Å; K407-I411 VanDerWaalsContact O-N 3.09Å |
| 408 | L | 90.1 | Very high | 78.6 | Confident | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.005 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -62.2 | -42.8 | 173 | -69.8 | 175.8 | 0 | 0 | 0 | 111.2 | L328 H358 T362 Y404 E405 M406 E410 I411 I412 | L328-L408 HydrophobicContact CD1-CD2 4.18Å; L328-L408 HydrophobicContact CD2-CD2 4.17Å; H358-L408 HydrophobicContact CB-CD1 4.06Å; H358-L408 HydrophobicContact CB-CD2 3.81Å; T362-L408 HydrophobicContact CG2-CD1 4.03Å; Y404-L408 HydrophobicContact CD1-CD1 4.03Å; Y404-L408 HydrophobicContact CE1-CD1 3.5Å; Y404-L408 VanDerWaalsContact CE1-CD1 3.5Å; Y404-L408 HydrophobicContact CE1-CG 4.22Å; Y404-L408 WeakPolarHBondContact O-CG 3.37Å; Y404-L408 PolarHBondContact O-N 2.8Å; E405-L408 WeakPolarHBondContact O-CB 3.46Å; E405-L408 PolarHBondContact O-N 3.02Å; M406-L408 VanDerWaalsContact C-N 3.35Å; M406-L408 PolarHBondContact O-N 3.47Å; L408-E410 PolarHBondContact O-N 2.87Å; L408-I411 PolarHBondContact O-N 2.96Å; L408-I412 WeakPolarHBondContact O-CD1 3.23Å; L408-I412 WeakPolarHBondContact O-CG1 3.4Å; L408-I412 PolarHBondContact O-N 3.35Å |
| 409 | V | 90 | Very high | 79.8 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -61 | -42.3 | 176.5 | 174.7 | 0 | 0 | 0 | 0 | 111.7 | E405 M406 K407 I412 R413 F448 I464 | E405-V409 WeakPolarHBondContact O-CG2 3.39Å; E405-V409 PolarHBondContact O-N 3.18Å; M406-V409 WeakPolarHBondContact O-CB 3Å; M406-V409 PolarHBondContact O-N 3.19Å; K407-V409 VanDerWaalsContact C-N 3.33Å; V409-I412 PolarHBondContact O-N 3.36Å; V409-R413 WeakPolarHBondContact O-CB 3.3Å; V409-R413 PolarHBondContact O-N 3.33Å; V409-F448 HydrophobicContact CG2-CE1 3.96Å; V409-F448 HydrophobicContact CG2-CZ 4.44Å; V409-I464 HydrophobicContact CG1-CD1 3.61Å; V409-I464 WeakPolarHBondContact O-CD1 3.46Å |
| 410 | E | 89.3 | Confident | 80.7 | Confident | 63 Ų | 63 | 36 Ų | 36 | 29% | 0.294 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -58.6 | -46.9 | 173.9 | -73 | 179.3 | 178.6 | 0 | 0 | 112.1 | H332 M406 K407 L408 I412 R413 C414 | H332-E410 IonicContact CE1-OE2 2.59Å; H332-E410 PolarHBondContact CE1-OE2 3.28Å; H332-E410 IonicContact ND1-OE2 3.79Å; H332-E410 PolarHBondContact ND1-OE2 3.41Å; M406-E410 WeakPolarHBondContact O-CG 2.98Å; M406-E410 PolarHBondContact O-N 2.8Å; K407-E410 WeakPolarHBondContact CD-OE2 3.25Å; K407-E410 WeakPolarHBondContact CE-OE2 3.43Å; K407-E410 IonicContact NZ-OE2 3.22Å; K407-E410 PolarHBondContact NZ-OE2 2.81Å; K407-E410 PolarHBondContact O-N 3.01Å; L408-E410 PolarHBondContact O-N 2.87Å; E410-I412 VanDerWaalsContact C-N 3.35Å; E410-I412 PolarHBondContact O-N 3.26Å; E410-R413 WeakPolarHBondContact O-CB 3.46Å; E410-R413 PolarHBondContact O-N 2.82Å; E410-C414 PolarHBondContact O-N 3.19Å; E410-C414 PolarHBondContact O-SG 3.09Å |
| 411 | I | 89.1 | Confident | 81.1 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -61.7 | -45.2 | 178.8 | -65.9 | 161.8 | 0 | 0 | 0 | 110.4 | L328 L331 H332 V335 I355 K407 L408 R413 C414 I415 | L328-I411 HydrophobicContact CB-CD1 4.12Å; L328-I411 HydrophobicContact CD2-CD1 4.01Å; L331-I411 HydrophobicContact CB-CD1 4.46Å; L331-I411 HydrophobicContact CD2-CD1 4.25Å; L331-I411 HydrophobicContact CD2-CG2 4.28Å; L331-I411 HydrophobicContact CG-CG2 4.4Å; H332-I411 HydrophobicContact CB-CD1 4.4Å; H332-I411 HydrophobicContact CB-CG1 3.71Å; V335-I411 HydrophobicContact CG2-CG2 4.48Å; I355-I411 HydrophobicContact CD1-CG2 3.73Å; I355-I411 HydrophobicContact CG1-CG2 4.49Å; K407-I411 HydrophobicContact CG-CD1 4.4Å; K407-I411 WeakPolarHBondContact O-CD1 3.47Å; K407-I411 VanDerWaalsContact O-CG1 3.29Å; K407-I411 WeakPolarHBondContact O-CG1 3.28Å; K407-I411 PolarHBondContact O-N 3.08Å; K407-I411 VanDerWaalsContact O-N 3.09Å; L408-I411 PolarHBondContact O-N 2.96Å; I411-R413 VanDerWaalsContact C-N 3.32Å; I411-R413 PolarHBondContact O-N 3.49Å; I411-C414 PolarHBondContact O-N 2.93Å; I411-I415 HydrophobicContact CG2-CD1 3.78Å; I411-I415 HydrophobicContact CG2-CG1 4.43Å; I411-I415 WeakPolarHBondContact O-CG1 3.27Å; I411-I415 PolarHBondContact O-N 2.73Å |
| 412 | I | 89.5 | Confident | 81 | Confident | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -62.4 | -41.3 | 178.9 | -67.1 | 164.5 | 0 | 0 | 0 | 110.9 | I355 L359 L408 V409 E410 C414 I415 L416 F441 F445 I464 | I355-I412 HydrophobicContact CG2-CD1 4.47Å; I355-I412 HydrophobicContact CG2-CG1 4.2Å; L359-I412 HydrophobicContact CD1-CD1 4.28Å; L359-I412 HydrophobicContact CD2-CD1 3.9Å; L408-I412 WeakPolarHBondContact O-CD1 3.23Å; L408-I412 WeakPolarHBondContact O-CG1 3.4Å; L408-I412 PolarHBondContact O-N 3.35Å; V409-I412 PolarHBondContact O-N 3.36Å; E410-I412 VanDerWaalsContact C-N 3.35Å; E410-I412 PolarHBondContact O-N 3.26Å; I412-C414 PolarHBondContact O-N 3.17Å; I412-I415 PolarHBondContact O-N 2.97Å; I412-L416 HydrophobicContact CG2-CD2 4.48Å; I412-L416 VanDerWaalsContact O-CB 3.3Å; I412-L416 WeakPolarHBondContact O-CB 3.42Å; I412-L416 PolarHBondContact O-N 3.45Å; I412-F441 HydrophobicContact CG1-CE2 4.28Å; I412-F441 HydrophobicContact CG1-CZ 4.08Å; I412-F441 HydrophobicContact CG2-CZ 4.13Å; I412-F445 HydrophobicContact CD1-CD2 3.72Å; I412-F445 HydrophobicContact CD1-CE2 3.87Å; I412-F445 HydrophobicContact CG2-CD1 4.41Å; I412-F445 HydrophobicContact CG2-CD2 4.21Å; I412-F445 HydrophobicContact CG2-CE1 4.14Å; I412-F445 HydrophobicContact CG2-CE2 3.93Å; I412-F445 HydrophobicContact CG2-CG 4.45Å; I412-F445 HydrophobicContact CG2-CZ 3.9Å; I412-I464 HydrophobicContact CG2-CD1 4.27Å; I412-I464 HydrophobicContact CG2-CG2 4.23Å |
| 413 | R | 89.1 | Confident | 80.5 | Confident | 111 Ų | 111 | 32.7 Ų | 32.7 | 42% | 0.419 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -57.9 | -37 | 177.1 | -171.1 | -177.6 | -63.8 | 132.1 | 1.9 | 112.2 | V409 E410 I411 P417 I464 | V409-R413 WeakPolarHBondContact O-CB 3.3Å; V409-R413 PolarHBondContact O-N 3.33Å; E410-R413 WeakPolarHBondContact O-CB 3.46Å; E410-R413 PolarHBondContact O-N 2.82Å; I411-R413 VanDerWaalsContact C-N 3.32Å; I411-R413 PolarHBondContact O-N 3.49Å; R413-P417 WeakPolarHBondContact O-CD 3.41Å; R413-P417 WeakPolarHBondContact O-CG 3.49Å; R413-I464 HydrophobicContact CB-CD1 3.86Å; R413-I464 HydrophobicContact CB-CG1 4.1Å; R413-I464 HydrophobicContact CG-CD1 4.5Å; R413-I464 HydrophobicContact CG-CG1 4.23Å |
| 414 | C | 82.8 | Confident | 79.5 | Confident | 36 Ų | 36 | 31.8 Ų | 31.8 | 24% | 0.243 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -80.6 | -35 | 179.4 | -64.1 | 0 | 0 | 0 | 0 | 112.9 | H332 V335 E410 I411 I412 S418 | H332-C414 PolarHBondContact NE2-SG 3.42Å; H332-C414 VanDerWaalsContact NE2-SG 3.44Å; V335-C414 HydrophobicContact CG1-CB 3.43Å; V335-C414 VanDerWaalsContact CG1-CB 3.43Å; E410-C414 PolarHBondContact O-N 3.19Å; E410-C414 PolarHBondContact O-SG 3.09Å; I411-C414 PolarHBondContact O-N 2.93Å; I412-C414 PolarHBondContact O-N 3.17Å; C414-S418 PolarHBondContact O-OG 3.39Å |
| 415 | I | 81.6 | Confident | 78.1 | Confident | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -72.2 | -51.8 | -179.6 | -74.2 | 178.9 | 0 | 0 | 0 | 112.2 | V335 M344 V351 F352 I355 I411 I412 S418 C419 | V335-I415 HydrophobicContact CB-CG1 4.12Å; V335-I415 HydrophobicContact CG1-CB 4.28Å; V335-I415 HydrophobicContact CG1-CD1 4.18Å; V335-I415 HydrophobicContact CG1-CG1 3.25Å; V335-I415 HydrophobicContact CG2-CD1 3.79Å; V335-I415 HydrophobicContact CG2-CG1 3.71Å; M344-I415 HydrophobicContact CE-CG2 3.95Å; V351-I415 HydrophobicContact CG1-CD1 3.63Å; F352-I415 HydrophobicContact CE1-CG2 4.1Å; I355-I415 HydrophobicContact CD1-CD1 3.04Å; I411-I415 HydrophobicContact CG2-CD1 3.78Å; I411-I415 HydrophobicContact CG2-CG1 4.43Å; I411-I415 WeakPolarHBondContact O-CG1 3.27Å; I411-I415 PolarHBondContact O-N 2.73Å; I412-I415 PolarHBondContact O-N 2.97Å; I415-S418 WeakPolarHBondContact O-CB 3.44Å; I415-S418 PolarHBondContact O-N 2.98Å; I415-C419 WeakPolarHBondContact CG2-SG 3.45Å; I415-C419 PolarHBondContact O-N 2.81Å; I415-C419 PolarHBondContact O-SG 3.49Å |
| 416 | L | 81.1 | Confident | 76.5 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -64.4 | -42.5 | -159.8 | -173.5 | 57.4 | 0 | 0 | 0 | 113.8 | I412 S418 C419 L420 F441 L442 F445 I464 V468 | I412-L416 HydrophobicContact CG2-CD2 4.48Å; I412-L416 VanDerWaalsContact O-CB 3.3Å; I412-L416 WeakPolarHBondContact O-CB 3.42Å; I412-L416 PolarHBondContact O-N 3.45Å; L416-S418 VanDerWaalsContact C-N 3.29Å; L416-S418 PolarHBondContact O-N 3.4Å; L416-C419 PolarHBondContact O-N 3.05Å; L416-L420 WeakPolarHBondContact O-CG 3.46Å; L416-L420 PolarHBondContact O-N 3.13Å; L416-L420 VanDerWaalsContact O-N 3.12Å; L416-F441 HydrophobicContact CD1-CE1 4.21Å; L416-L442 HydrophobicContact CD1-CD2 3.78Å; L416-F445 HydrophobicContact CD2-CE1 4.3Å; L416-I464 HydrophobicContact CD2-CG2 3.63Å; L416-V468 HydrophobicContact CD1-CG2 4.45Å; L416-V468 HydrophobicContact CD2-CG2 3.19Å; L416-V468 HydrophobicContact CG-CG2 3.59Å |
| 417 | P | 72.6 | Confident | 74.7 | Confident | 80 Ų | 80 | 41.2 Ų | 41.2 | 52% | 0.519 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -60.1 | -38.6 | 173.6 | -23.4 | 34.6 | 0 | 0 | 0 | 112.9 | R413 L420 K421 | R413-P417 WeakPolarHBondContact O-CD 3.41Å; R413-P417 WeakPolarHBondContact O-CG 3.49Å; P417-L420 PolarHBondContact O-N 3.11Å; P417-K421 PolarHBondContact O-N 3.31Å; P417-K421 VanDerWaalsContact O-N 3.11Å |
| 418 | S | 69.6 | Low | 72.4 | Confident | 27 Ų | 27 | 45.2 Ų | 45.2 | 19% | 0.189 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -68.9 | -41.2 | 179.7 | -56.2 | 0 | 0 | 0 | 0 | 111.6 | V340 C414 I415 L416 L420 K421 F422 | V340-S418 VanDerWaalsContact CG1-CB 3.41Å; C414-S418 PolarHBondContact O-OG 3.39Å; I415-S418 WeakPolarHBondContact O-CB 3.44Å; I415-S418 PolarHBondContact O-N 2.98Å; L416-S418 VanDerWaalsContact C-N 3.29Å; L416-S418 PolarHBondContact O-N 3.4Å; S418-L420 PolarHBondContact O-N 3.01Å; S418-K421 WeakPolarHBondContact O-CB 3.07Å; S418-K421 PolarHBondContact O-N 2.97Å; S418-F422 WeakPolarHBondContact O-CD2 3.09Å; S418-F422 PolarHBondContact O-N 2.91Å |
| 419 | C | 71.5 | Confident | 70.5 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -60.6 | -43.9 | 175.1 | -64.1 | 0 | 0 | 0 | 0 | 112.4 | M344 F352 I415 L416 F422 V423 L438 | M344-C419 WeakPolarHBondContact CE-SG 3.41Å; F352-C419 WeakPolarHBondContact CE1-SG 3.27Å; F352-C419 HydrophobicContact CZ-CB 4.35Å; F352-C419 WeakPolarHBondContact CZ-SG 3.36Å; I415-C419 WeakPolarHBondContact CG2-SG 3.45Å; I415-C419 PolarHBondContact O-N 2.81Å; I415-C419 PolarHBondContact O-SG 3.49Å; L416-C419 PolarHBondContact O-N 3.05Å; C419-F422 WeakPolarHBondContact O-CB 3.46Å; C419-F422 PolarHBondContact O-N 3.26Å; C419-F422 VanDerWaalsContact O-N 3.16Å; C419-V423 WeakPolarHBondContact O-CG2 3.31Å; C419-V423 PolarHBondContact O-N 3.41Å; C419-L438 HydrophobicContact CB-CD1 3.79Å |
| 420 | L | 68.8 | Low | 68.5 | Low | 14 Ų | 14 | 57.6 Ų | 57.6 | 7% | 0.073 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -61.6 | -46.4 | 177.9 | -68.6 | 171.8 | 0 | 0 | 0 | 110.4 | L416 P417 S418 F422 V423 Y424 V468 S471 | L416-L420 WeakPolarHBondContact O-CG 3.46Å; L416-L420 PolarHBondContact O-N 3.13Å; L416-L420 VanDerWaalsContact O-N 3.12Å; P417-L420 PolarHBondContact O-N 3.11Å; S418-L420 PolarHBondContact O-N 3.01Å; L420-F422 VanDerWaalsContact C-N 3.26Å; L420-F422 PolarHBondContact O-N 2.73Å; L420-V423 PolarHBondContact O-N 2.77Å; L420-V423 VanDerWaalsContact O-N 3.15Å; L420-Y424 VanDerWaalsContact C-CD2 3.42Å; L420-Y424 HydrophobicContact CB-CD2 4.47Å; L420-Y424 HydrophobicContact CB-CE2 3.88Å; L420-Y424 WeakPolarHBondContact O-CD2 3.42Å; L420-Y424 WeakPolarHBondContact O-CE2 3.48Å; L420-Y424 PolarHBondContact O-N 3.49Å; L420-V468 HydrophobicContact CD1-CB 4.29Å; L420-V468 HydrophobicContact CD1-CG1 3.92Å; L420-V468 HydrophobicContact CD1-CG2 4.11Å; L420-S471 WeakPolarHBondContact CD1-OG 3.39Å |
| 421 | K | 67.1 | Low | 66.8 | Low | 117 Ų | 117 | 56.3 Ų | 56.3 | 51% | 0.509 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -54.4 | -41.2 | 173.2 | -173.6 | -170.7 | 173.4 | -158.3 | 0 | 112.5 | P417 S418 Y424 T425 | P417-K421 PolarHBondContact O-N 3.31Å; P417-K421 VanDerWaalsContact O-N 3.11Å; S418-K421 WeakPolarHBondContact O-CB 3.07Å; S418-K421 PolarHBondContact O-N 2.97Å; K421-Y424 PolarHBondContact O-N 3.47Å; K421-T425 HydrophobicContact CG-CG2 4.34Å; K421-T425 WeakPolarHBondContact O-CB 3.23Å; K421-T425 WeakPolarHBondContact O-CG2 3.47Å; K421-T425 PolarHBondContact O-N 3.2Å; K421-T425 PolarHBondContact O-OG1 3.18Å |
| 422 | F | 63.2 | Low | 65.3 | Low | 19 Ų | 19 | 63.3 Ų | 63.3 | 8% | 0.083 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -61.7 | -50 | 176 | -98.9 | -77 | 0 | 0 | 0 | 112.5 | D341 M344 T345 S418 C419 L420 Y424 T425 S426 F433 | D341-F422 VanDerWaalsContact CA-CE2 3.48Å; D341-F422 HydrophobicContact CB-CE2 4.03Å; D341-F422 HydrophobicContact CB-CZ 3.61Å; D341-F422 WeakPolarHBondContact OD1-CE2 3.33Å; D341-F422 WeakPolarHBondContact OD1-CZ 3.48Å; M344-F422 HydrophobicContact CB-CD1 4.5Å; M344-F422 HydrophobicContact CB-CD2 3.67Å; M344-F422 HydrophobicContact CB-CE2 3.71Å; M344-F422 HydrophobicContact CB-CG 4.12Å; M344-F422 HydrophobicContact CB-CZ 4.18Å; M344-F422 HydrophobicContact CG-CD2 3.92Å; M344-F422 HydrophobicContact CG-CE2 4.11Å; T345-F422 HydrophobicContact CG2-CE1 3.75Å; T345-F422 HydrophobicContact CG2-CZ 4.18Å; S418-F422 WeakPolarHBondContact O-CD2 3.09Å; S418-F422 PolarHBondContact O-N 2.91Å; C419-F422 WeakPolarHBondContact O-CB 3.46Å; C419-F422 PolarHBondContact O-N 3.26Å; C419-F422 VanDerWaalsContact O-N 3.16Å; L420-F422 VanDerWaalsContact C-N 3.26Å; L420-F422 PolarHBondContact O-N 2.73Å; F422-Y424 PolarHBondContact O-N 2.89Å; F422-T425 WeakPolarHBondContact CA-OG1 3.44Å; F422-T425 PolarHBondContact O-N 3.27Å; F422-T425 VanDerWaalsContact O-N 3.13Å; F422-T425 PolarHBondContact O-OG1 3.24Å; F422-S426 VanDerWaalsContact O-CB 3.31Å; F422-S426 WeakPolarHBondContact O-CB 3.34Å; F422-S426 PolarHBondContact O-N 3.5Å; F422-S426 PolarHBondContact O-OG 2.85Å; F422-F433 HydrophobicContact CB-CE2 4.48Å |
| 423 | V | 63.8 | Low | 63.9 | Low | 29 Ų | 29 | 64.3 Ų | 64.3 | 18% | 0.176 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -57.7 | -35.5 | 178.7 | 174.4 | 0 | 0 | 0 | 0 | 111.7 | C419 L420 F433 L438 L483 | C419-V423 WeakPolarHBondContact O-CG2 3.31Å; C419-V423 PolarHBondContact O-N 3.41Å; L420-V423 PolarHBondContact O-N 2.77Å; L420-V423 VanDerWaalsContact O-N 3.15Å; V423-F433 HydrophobicContact CG2-CD1 4.26Å; V423-F433 HydrophobicContact CG2-CE1 3.5Å; V423-F433 HydrophobicContact CG2-CZ 4Å; V423-L438 HydrophobicContact CG2-CD1 4.16Å; V423-L483 HydrophobicContact CG1-CD1 4.01Å; V423-L483 HydrophobicContact CG1-CD2 3.6Å; V423-L483 HydrophobicContact CG1-CG 4.35Å |
| 424 | Y | 60.7 | Low | 62.8 | Low | 62 Ų | 62 | 60.9 Ų | 60.9 | 24% | 0.243 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -77.6 | -34.5 | 176.8 | -61.9 | -60 | 0 | 0 | 0 | 114.3 | L420 K421 F422 L472 S475 L483 | L420-Y424 VanDerWaalsContact C-CD2 3.42Å; L420-Y424 HydrophobicContact CB-CD2 4.47Å; L420-Y424 HydrophobicContact CB-CE2 3.88Å; L420-Y424 WeakPolarHBondContact O-CD2 3.42Å; L420-Y424 WeakPolarHBondContact O-CE2 3.48Å; L420-Y424 PolarHBondContact O-N 3.49Å; K421-Y424 PolarHBondContact O-N 3.47Å; F422-Y424 PolarHBondContact O-N 2.89Å; Y424-L472 WeakPolarHBondContact OH-CD2 3.46Å; Y424-S475 VanDerWaalsContact CE1-CB 3.46Å; Y424-S475 VanDerWaalsContact CE1-OG 3.29Å; Y424-S475 WeakPolarHBondContact CE1-OG 3.24Å; Y424-S475 PolarHBondContact OH-OG 3.3Å; Y424-L483 HydrophobicContact CD1-CD1 3.94Å; Y424-L483 HydrophobicContact CE1-CD1 3.23Å; Y424-L483 HydrophobicContact CE1-CG 4.35Å |
| 425 | T | 57.2 | Low | 62.1 | Low | 84 Ų | 84 | 62.1 Ų | 62.1 | 52% | 0.515 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -84.1 | -28.1 | -177 | 49.8 | 0 | 0 | 0 | 0 | 112.5 | K421 F422 N427 | K421-T425 HydrophobicContact CG-CG2 4.34Å; K421-T425 WeakPolarHBondContact O-CB 3.23Å; K421-T425 WeakPolarHBondContact O-CG2 3.47Å; K421-T425 PolarHBondContact O-N 3.2Å; K421-T425 PolarHBondContact O-OG1 3.18Å; F422-T425 WeakPolarHBondContact CA-OG1 3.44Å; F422-T425 PolarHBondContact O-N 3.27Å; F422-T425 VanDerWaalsContact O-N 3.13Å; F422-T425 PolarHBondContact O-OG1 3.24Å; T425-N427 PolarHBondContact O-N 3.32Å |
| 426 | S | 51.2 | Low | 61.5 | Low | 38 Ų | 38 | 67.9 Ų | 67.9 | 27% | 0.266 | 38% | 0.382 | S | S | . | . | trans | -78.1 | 59.7 | 178.7 | 70 | 0 | 0 | 0 | 0 | 112.2 | F422 S431 | F422-S426 VanDerWaalsContact O-CB 3.31Å; F422-S426 WeakPolarHBondContact O-CB 3.34Å; F422-S426 PolarHBondContact O-N 3.5Å; F422-S426 PolarHBondContact O-OG 2.85Å; S426-S431 WeakPolarHBondContact CB-OG 3.36Å | ||
| 427 | N | 50 | Low | 61.1 | Low | 146 Ų | 146 | 68.3 Ų | 68.3 | 78% | 0.781 | 39% | 0.387 | S | S | * | . | trans | -75.6 | -1.8 | 154.3 | -80.6 | -20.4 | 0 | 0 | 0 | 111.6 | T425 | T425-N427 PolarHBondContact O-N 3.32Š| ||
| 428 | N | 42.8 | Very low | 61.3 | Low | 123 Ų | 123 | 65 Ų | 65 | 66% | 0.658 | 37% | 0.365 | S | S | * | . | S | Bend | trans | -98.3 | 119.2 | 176.8 | -65.2 | -16.3 | 0 | 0 | 0 | 109.2 | D430 | N428-D430 PolarHBondContact O-N 2.86Š|
| 429 | S | 49.9 | Very low | 61.8 | Low | 117 Ų | 117 | 64.3 Ų | 64.3 | 82% | 0.818 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | 0.1 | -178.8 | 49.2 | 0 | 0 | 0 | 0 | 116.8 | ||
| 430 | D | 48.4 | Very low | 62.2 | Low | 143 Ų | 143 | 67.8 Ų | 67.8 | 77% | 0.765 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.1 | -0.8 | -163.8 | -62.9 | -5.1 | 0 | 0 | 0 | 113.3 | N428 | N428-D430 PolarHBondContact O-N 2.86Š|
| 431 | S | 52 | Low | 63 | Low | 36 Ų | 36 | 67.1 Ų | 67.1 | 25% | 0.252 | 38% | 0.377 | S | S | . | . | trans | -94.8 | 119.9 | 171.6 | 59.5 | 0 | 0 | 0 | 0 | 111 | S426 F433 | S426-S431 WeakPolarHBondContact CB-OG 3.36Å; S431-F433 PolarHBondContact O-N 3.42Å | ||
| 432 | N | 57.5 | Low | 63.9 | Low | 148 Ų | 148 | 62.4 Ų | 62.4 | 79% | 0.791 | 36% | 0.357 | S | S | * | . | trans | -66.8 | 35.8 | 173 | -71.6 | -16.1 | 0 | 0 | 0 | 113.3 | S434 | N432-S434 PolarHBondContact O-N 2.98Š| ||
| 433 | F | 60.3 | Low | 65 | Low | 20 Ų | 20 | 63.7 Ų | 63.7 | 9% | 0.088 | 36% | 0.363 | C | S | . | . | trans | -73.6 | 113.7 | 177.9 | -174.1 | -95.1 | 0 | 0 | 0 | 109.6 | F352 F422 V423 S431 V435 L438 | F352-F433 AromaticContact CE2-CE2 3.74Å; F352-F433 HydrophobicContact CE2-CE2 3.74Å; F352-F433 AromaticContact CE2-CZ 3.77Å; F352-F433 HydrophobicContact CE2-CZ 3.77Å; F352-F433 AromaticContact CZ-CE2 3.79Å; F352-F433 HydrophobicContact CZ-CE2 3.79Å; F352-F433 AromaticContact CZ-CZ 3.81Å; F352-F433 HydrophobicContact CZ-CZ 3.81Å; F422-F433 HydrophobicContact CB-CE2 4.48Å; V423-F433 HydrophobicContact CG2-CD1 4.26Å; V423-F433 HydrophobicContact CG2-CE1 3.5Å; V423-F433 HydrophobicContact CG2-CZ 4Å; S431-F433 PolarHBondContact O-N 3.42Å; F433-V435 HydrophobicContact CD1-CG2 4.26Å; F433-V435 PolarHBondContact O-N 2.96Å; F433-V435 VanDerWaalsContact O-N 3.11Å; F433-L438 HydrophobicContact CE1-CB 4.31Å; F433-L438 HydrophobicContact CE1-CD1 4.09Å; F433-L438 HydrophobicContact CZ-CB 4.26Å; F433-L438 HydrophobicContact CZ-CD1 3.69Å | ||
| 434 | S | 66.6 | Low | 66.1 | Low | 39 Ų | 39 | 62.4 Ų | 62.4 | 27% | 0.273 | 36% | 0.355 | S | S | . | . | trans | -80.3 | 95 | -179.7 | 55.3 | 0 | 0 | 0 | 0 | 110.7 | N432 D436 G437 L438 | N432-S434 PolarHBondContact O-N 2.98Å; S434-D436 PolarHBondContact O-N 3.44Å; S434-G437 PolarHBondContact O-N 3.48Å; S434-L438 PolarHBondContact O-N 3.32Å | ||
| 435 | V | 68 | Low | 67.5 | Low | 63 Ų | 63 | 59.5 Ų | 59.5 | 38% | 0.382 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -52.2 | -40.7 | 174.2 | 179 | 0 | 0 | 0 | 0 | 110.9 | F433 G437 L438 M439 | F433-V435 HydrophobicContact CD1-CG2 4.26Å; F433-V435 PolarHBondContact O-N 2.96Å; F433-V435 VanDerWaalsContact O-N 3.11Å; V435-G437 VanDerWaalsContact C-N 3.27Å; V435-G437 PolarHBondContact O-N 2.9Å; V435-L438 WeakPolarHBondContact O-CB 3.37Å; V435-L438 PolarHBondContact O-N 3.3Å; V435-L438 VanDerWaalsContact O-N 3.09Å; V435-M439 HydrophobicContact CG1-CG 4.42Å; V435-M439 WeakPolarHBondContact O-CG 3.32Å; V435-M439 PolarHBondContact O-N 3.21Å |
| 436 | D | 68.5 | Low | 69.1 | Low | 120 Ų | 120 | 56.5 Ų | 56.5 | 64% | 0.642 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -58.5 | -36.3 | 177.1 | -68.4 | -19.2 | 0 | 0 | 0 | 113.3 | S434 M439 T440 | S434-D436 PolarHBondContact O-N 3.44Å; D436-M439 PolarHBondContact O-N 3.42Å; D436-T440 PolarHBondContact O-N 3.46Å; D436-T440 VanDerWaalsContact O-N 3.12Å; D436-T440 PolarHBondContact O-OG1 3.15Å |
| 437 | G | 72.5 | Confident | 70.7 | Confident | 10 Ų | 10 | 56.2 Ų | 56.2 | 10% | 0.103 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -69.2 | -35 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | S434 V435 T440 F441 | S434-G437 PolarHBondContact O-N 3.48Å; V435-G437 VanDerWaalsContact C-N 3.27Å; V435-G437 PolarHBondContact O-N 2.9Å; G437-T440 PolarHBondContact O-OG1 3.25Å; G437-F441 WeakPolarHBondContact O-CB 3.42Å; G437-F441 PolarHBondContact O-N 2.98Å; G437-F441 VanDerWaalsContact O-N 3.12Å |
| 438 | L | 78.7 | Confident | 72.6 | Confident | 10 Ų | 10 | 49.3 Ų | 49.3 | 5% | 0.052 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -67.3 | -37.8 | 172.4 | 179.4 | 142.1 | 0 | 0 | 0 | 111.4 | F352 C419 V423 F433 S434 V435 F441 L442 | F352-L438 HydrophobicContact CE2-CB 4.13Å; F352-L438 HydrophobicContact CZ-CB 4.35Å; F352-L438 HydrophobicContact CZ-CD1 4.35Å; C419-L438 HydrophobicContact CB-CD1 3.79Å; V423-L438 HydrophobicContact CG2-CD1 4.16Å; F433-L438 HydrophobicContact CE1-CB 4.31Å; F433-L438 HydrophobicContact CE1-CD1 4.09Å; F433-L438 HydrophobicContact CZ-CB 4.26Å; F433-L438 HydrophobicContact CZ-CD1 3.69Å; S434-L438 PolarHBondContact O-N 3.32Å; V435-L438 WeakPolarHBondContact O-CB 3.37Å; V435-L438 PolarHBondContact O-N 3.3Å; V435-L438 VanDerWaalsContact O-N 3.09Å; L438-F441 PolarHBondContact O-N 3.06Å; L438-L442 HydrophobicContact CD2-CD1 3.58Å; L438-L442 HydrophobicContact CD2-CG 4.15Å; L438-L442 HydrophobicContact CG-CD1 4.41Å; L438-L442 HydrophobicContact CG-CG 4.49Å; L438-L442 WeakPolarHBondContact O-CG 3.32Å; L438-L442 PolarHBondContact O-N 3.47Å |
| 439 | M | 79.9 | Confident | 74.8 | Confident | 13 Ų | 13 | 43.5 Ų | 43.5 | 6% | 0.064 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -66.8 | -42.4 | 179 | -59.5 | -45.4 | -79.8 | 0 | 0 | 112.5 | V435 D436 F441 L442 Q443 N488 V489 I492 | V435-M439 HydrophobicContact CG1-CG 4.42Å; V435-M439 WeakPolarHBondContact O-CG 3.32Å; V435-M439 PolarHBondContact O-N 3.21Å; D436-M439 PolarHBondContact O-N 3.42Å; M439-F441 VanDerWaalsContact C-N 3.33Å; M439-L442 PolarHBondContact O-N 2.77Å; M439-Q443 WeakPolarHBondContact O-CB 3.39Å; M439-Q443 PolarHBondContact O-N 3.42Å; M439-N488 HydrophobicContact CE-CB 3.4Å; M439-N488 WeakPolarHBondContact CE-O 3.18Å; M439-N488 HydrophobicContact CG-CB 4.45Å; M439-V489 VanDerWaalsContact CE-CA 3.45Å; M439-V489 HydrophobicContact CE-CB 4.05Å; M439-V489 HydrophobicContact CE-CG2 3.43Å; M439-V489 VanDerWaalsContact CE-CG2 3.43Å; M439-V489 HydrophobicContact SD-CG2 3.87Å; M439-I492 HydrophobicContact CB-CD1 4.31Å; M439-I492 HydrophobicContact CE-CD1 3.51Å; M439-I492 HydrophobicContact CE-CG1 4.36Å; M439-I492 WeakPolarHBondContact O-CD1 3.16Å; M439-I492 HydrophobicContact SD-CD1 4.39Å |
| 440 | T | 79.6 | Confident | 76.6 | Confident | 73 Ų | 73 | 39.4 Ų | 39.4 | 45% | 0.448 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -65.6 | -38.9 | 175.6 | 54.2 | 0 | 0 | 0 | 0 | 111.6 | D436 G437 Q443 A444 | D436-T440 PolarHBondContact O-N 3.46Å; D436-T440 VanDerWaalsContact O-N 3.12Å; D436-T440 PolarHBondContact O-OG1 3.15Å; G437-T440 PolarHBondContact O-OG1 3.25Å; T440-Q443 PolarHBondContact O-N 2.85Å; T440-A444 PolarHBondContact O-N 2.8Å |
| 441 | F | 85.3 | Confident | 78.3 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -61.2 | -49.8 | 174.1 | 168.9 | -109.4 | 0 | 0 | 0 | 112.5 | F352 I355 T356 L359 I412 L416 G437 L438 M439 Q443 A444 F445 | F352-F441 HydrophobicContact CB-CB 4.38Å; F352-F441 HydrophobicContact CD1-CB 4.38Å; F352-F441 HydrophobicContact CD1-CD1 4.33Å; F352-F441 HydrophobicContact CD1-CG 4.24Å; I355-F441 HydrophobicContact CB-CD2 4.44Å; I355-F441 HydrophobicContact CB-CE2 4.18Å; I355-F441 HydrophobicContact CG2-CD2 4.24Å; I355-F441 HydrophobicContact CG2-CE2 3.61Å; T356-F441 WeakPolarHBondContact OG1-CA 3.21Å; L359-F441 HydrophobicContact CD1-CD2 4.08Å; L359-F441 HydrophobicContact CD1-CE2 3.84Å; I412-F441 HydrophobicContact CG1-CE2 4.28Å; I412-F441 HydrophobicContact CG1-CZ 4.08Å; I412-F441 HydrophobicContact CG2-CZ 4.13Å; L416-F441 HydrophobicContact CD1-CE1 4.21Å; G437-F441 WeakPolarHBondContact O-CB 3.42Å; G437-F441 PolarHBondContact O-N 2.98Å; G437-F441 VanDerWaalsContact O-N 3.12Å; L438-F441 PolarHBondContact O-N 3.06Å; M439-F441 VanDerWaalsContact C-N 3.33Å; F441-Q443 VanDerWaalsContact C-N 3.28Å; F441-Q443 PolarHBondContact O-N 2.88Å; F441-A444 PolarHBondContact O-N 3.05Å; F441-F445 WeakPolarHBondContact O-CB 3.41Å; F441-F445 PolarHBondContact O-N 2.87Å |
| 442 | L | 85.6 | Confident | 79.6 | Confident | 17 Ų | 17 | 37.1 Ų | 37.1 | 9% | 0.089 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -61.5 | -37.9 | 177.8 | -74.1 | -179.7 | 0 | 0 | 0 | 112.3 | L416 L438 M439 F445 R446 W465 I492 | L416-L442 HydrophobicContact CD1-CD2 3.78Å; L438-L442 HydrophobicContact CD2-CD1 3.58Å; L438-L442 HydrophobicContact CD2-CG 4.15Å; L438-L442 HydrophobicContact CG-CD1 4.41Å; L438-L442 HydrophobicContact CG-CG 4.49Å; L438-L442 WeakPolarHBondContact O-CG 3.32Å; L438-L442 PolarHBondContact O-N 3.47Å; M439-L442 PolarHBondContact O-N 2.77Å; L442-F445 PolarHBondContact O-N 3.43Å; L442-R446 PolarHBondContact O-N 3.28Å; L442-W465 HydrophobicContact CD2-CH2 4.06Å; L442-W465 HydrophobicContact CD2-CZ3 4.38Å; L442-I492 HydrophobicContact CB-CD1 3.98Å; L442-I492 HydrophobicContact CB-CG2 4.24Å |
| 443 | Q | 86.2 | Confident | 80.1 | Confident | 47 Ų | 47 | 34.9 Ų | 34.9 | 22% | 0.22 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -65.3 | -43.5 | 176.4 | -175.3 | 170.5 | -12.1 | 0 | 0 | 111.7 | M439 T440 F441 E447 I492 | M439-Q443 WeakPolarHBondContact O-CB 3.39Å; M439-Q443 PolarHBondContact O-N 3.42Å; T440-Q443 PolarHBondContact O-N 2.85Å; F441-Q443 VanDerWaalsContact C-N 3.28Å; F441-Q443 PolarHBondContact O-N 2.88Å; Q443-E447 WeakPolarHBondContact O-CG 3.33Å; Q443-E447 PolarHBondContact O-N 3.26Å; Q443-I492 HydrophobicContact CB-CD1 4.43Å |
| 444 | A | 86.8 | Confident | 81.1 | Confident | 2 Ų | 2 | 35.4 Ų | 35.4 | 2% | 0.017 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -65.7 | -38.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | T356 L359 T440 F441 E447 F448 | T356-A444 HydrophobicContact CG2-CB 3.91Å; L359-A444 HydrophobicContact CB-CB 4.07Å; L359-A444 HydrophobicContact CD1-CB 4.23Å; T440-A444 PolarHBondContact O-N 2.8Å; F441-A444 PolarHBondContact O-N 3.05Å; A444-E447 PolarHBondContact O-N 2.97Å; A444-F448 WeakPolarHBondContact O-CB 3.37Å; A444-F448 PolarHBondContact O-N 3.46Å |
| 445 | F | 90.7 | Very high | 81.9 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -66.1 | -39.5 | 178.4 | -179.9 | -130.6 | 0 | 0 | 0 | 112.5 | L359 I412 L416 F441 L442 E447 F448 T449 C461 I464 W465 | L359-F445 HydrophobicContact CD1-CB 4.1Å; I412-F445 HydrophobicContact CD1-CD2 3.72Å; I412-F445 HydrophobicContact CD1-CE2 3.87Å; I412-F445 HydrophobicContact CG2-CD1 4.41Å; I412-F445 HydrophobicContact CG2-CD2 4.21Å; I412-F445 HydrophobicContact CG2-CE1 4.14Å; I412-F445 HydrophobicContact CG2-CE2 3.93Å; I412-F445 HydrophobicContact CG2-CG 4.45Å; I412-F445 HydrophobicContact CG2-CZ 3.9Å; L416-F445 HydrophobicContact CD2-CE1 4.3Å; F441-F445 WeakPolarHBondContact O-CB 3.41Å; F441-F445 PolarHBondContact O-N 2.87Å; L442-F445 PolarHBondContact O-N 3.43Å; F445-E447 VanDerWaalsContact C-N 3.31Å; F445-E447 PolarHBondContact O-N 3.49Å; F445-F448 HydrophobicContact CD2-CD1 4.19Å; F445-F448 HydrophobicContact CE2-CD1 4.29Å; F445-F448 PolarHBondContact O-N 3.35Å; F445-T449 PolarHBondContact O-N 2.82Å; F445-T449 PolarHBondContact O-OG1 3.37Å; F445-C461 HydrophobicContact CE2-CB 4.22Å; F445-C461 HydrophobicContact CZ-CB 4.13Å; F445-I464 HydrophobicContact CE1-CG2 3.96Å; F445-I464 HydrophobicContact CZ-CB 4.22Å; F445-I464 HydrophobicContact CZ-CD1 4.42Å; F445-I464 HydrophobicContact CZ-CG2 4.01Å; F445-W465 HydrophobicContact CB-CZ2 4.46Å; F445-W465 HydrophobicContact CD1-CD2 4.35Å; F445-W465 AromaticContact CD1-CE2 3.45Å; F445-W465 VanDerWaalsContact CD1-CE2 3.45Å; F445-W465 HydrophobicContact CD1-CH2 4.14Å; F445-W465 AromaticContact CD1-CZ2 3.33Å; F445-W465 HydrophobicContact CD1-CZ2 3.33Å; F445-W465 AromaticContact CD1-NE1 3.55Å; F445-W465 AromaticContact CE1-CD1 3.72Å; F445-W465 HydrophobicContact CE1-CD2 4.01Å; F445-W465 AromaticContact CE1-CE2 3.41Å; F445-W465 VanDerWaalsContact CE1-CE2 3.41Å; F445-W465 HydrophobicContact CE1-CG 4.21Å; F445-W465 AromaticContact CE1-CZ2 3.84Å; F445-W465 HydrophobicContact CE1-CZ2 3.84Å; F445-W465 AromaticContact CE1-NE1 3.18Å; F445-W465 HydrophobicContact CG-CZ2 4.17Å; F445-W465 AromaticContact CZ-NE1 3.73Å |
| 446 | R | 89.8 | Confident | 82.7 | Confident | 22 Ų | 22 | 37.6 Ų | 37.6 | 8% | 0.083 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -55.7 | -49.8 | 171.8 | 174.5 | -165.3 | 69.7 | -153.8 | 11.7 | 110.6 | L442 T449 F450 W465 E495 F496 | L442-R446 PolarHBondContact O-N 3.28Å; R446-T449 VanDerWaalsContact O-CB 3.31Å; R446-T449 WeakPolarHBondContact O-CB 3.41Å; R446-T449 PolarHBondContact O-N 3.02Å; R446-F450 HydrophobicContact CG-CD2 3.98Å; R446-F450 HydrophobicContact CG-CE2 3.84Å; R446-F450 WeakPolarHBondContact O-CD2 3.46Å; R446-F450 PolarHBondContact O-N 3.35Å; R446-W465 HydrophobicContact CB-CZ2 4.14Å; R446-E495 IonicContact CZ-OE2 3.89Å; R446-E495 IonicContact NH1-OE2 3.53Å; R446-E495 PolarHBondContact NH1-OE2 3.07Å; R446-E495 IonicContact NH2-OE2 3.59Å; R446-E495 PolarHBondContact NH2-OE2 3.09Å; R446-F496 HydrophobicContact CB-CD2 4.45Å; R446-F496 HydrophobicContact CG-CB 4.24Å; R446-F496 HydrophobicContact CG-CD2 3.99Å |
| 447 | E | 86.8 | Confident | 83.6 | Confident | 32 Ų | 32 | 31.9 Ų | 31.9 | 15% | 0.15 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -68.1 | -40 | -175 | -70.6 | 162.6 | -172.1 | 0 | 0 | 112.2 | R365 Q443 A444 F445 T449 F450 F451 | R365-E447 WeakPolarHBondContact CD-OE2 3.36Å; R365-E447 IonicContact CZ-OE1 2.92Å; R365-E447 IonicContact CZ-OE2 3.14Å; R365-E447 IonicContact NE-OE2 2.69Å; R365-E447 PolarHBondContact NE-OE2 3.31Å; R365-E447 VanDerWaalsContact NH1-CD 3.33Å; R365-E447 IonicContact NH1-OE1 3.94Å; R365-E447 PolarHBondContact NH1-OE1 3.48Å; R365-E447 IonicContact NH1-OE2 3.24Å; R365-E447 PolarHBondContact NH1-OE2 3.35Å; R365-E447 IonicContact NH2-OE1 2.68Å; R365-E447 PolarHBondContact NH2-OE1 3.03Å; R365-E447 IonicContact NH2-OE2 2.62Å; R365-E447 PolarHBondContact NH2-OE2 2.83Å; Q443-E447 WeakPolarHBondContact O-CG 3.33Å; Q443-E447 PolarHBondContact O-N 3.26Å; A444-E447 PolarHBondContact O-N 2.97Å; F445-E447 VanDerWaalsContact C-N 3.31Å; F445-E447 PolarHBondContact O-N 3.49Å; E447-T449 VanDerWaalsContact C-N 3.31Å; E447-T449 PolarHBondContact O-N 3.2Å; E447-F450 PolarHBondContact O-N 3.02Å; E447-F451 VanDerWaalsContact O-CB 3.28Å; E447-F451 WeakPolarHBondContact O-CB 3.4Å; E447-F451 PolarHBondContact O-N 3.39Å |
| 448 | F | 88.9 | Confident | 84.4 | Confident | 1 Ų | 1 | 31.5 Ų | 31.5 | 0% | 0.004 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -54.3 | -49.3 | 169.1 | 174.6 | -106.4 | 0 | 0 | 0 | 111.2 | L359 T362 E405 V409 A444 F445 F450 F451 T452 | L359-F448 HydrophobicContact CB-CB 4.47Å; L359-F448 HydrophobicContact CD2-CB 3.58Å; L359-F448 HydrophobicContact CD2-CD1 3.63Å; L359-F448 HydrophobicContact CD2-CD2 3.86Å; L359-F448 HydrophobicContact CD2-CE1 4.25Å; L359-F448 HydrophobicContact CD2-CE2 4.47Å; L359-F448 HydrophobicContact CD2-CG 3.39Å; T362-F448 HydrophobicContact CG2-CE2 4.32Å; T362-F448 VanDerWaalsContact OG1-CD2 3.22Å; T362-F448 WeakPolarHBondContact OG1-CD2 3.26Å; T362-F448 WeakPolarHBondContact OG1-CE2 3.39Å; E405-F448 HydrophobicContact CB-CZ 4.23Å; E405-F448 HydrophobicContact CG-CE2 4.29Å; E405-F448 HydrophobicContact CG-CZ 4.34Å; V409-F448 HydrophobicContact CG2-CE1 3.96Å; V409-F448 HydrophobicContact CG2-CZ 4.44Å; A444-F448 WeakPolarHBondContact O-CB 3.37Å; A444-F448 PolarHBondContact O-N 3.46Å; F445-F448 HydrophobicContact CD2-CD1 4.19Å; F445-F448 HydrophobicContact CE2-CD1 4.29Å; F445-F448 PolarHBondContact O-N 3.35Å; F448-F450 VanDerWaalsContact C-N 3.26Å; F448-F450 PolarHBondContact O-N 2.81Å; F448-F450 VanDerWaalsContact O-N 3.17Å; F448-F451 PolarHBondContact O-N 2.93Å; F448-F451 VanDerWaalsContact O-N 3.11Å; F448-T452 HydrophobicContact CD1-CG2 4.3Å; F448-T452 HydrophobicContact CD2-CG2 4.03Å; F448-T452 HydrophobicContact CE1-CG2 3.93Å; F448-T452 HydrophobicContact CE2-CG2 3.63Å; F448-T452 HydrophobicContact CG-CG2 4.35Å; F448-T452 HydrophobicContact CZ-CG2 3.57Å; F448-T452 VanDerWaalsContact O-CG2 3.32Å; F448-T452 WeakPolarHBondContact O-CG2 3.45Å; F448-T452 PolarHBondContact O-N 2.85Å |
| 449 | T | 89.5 | Confident | 84.9 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -51.7 | -44.1 | 179.7 | -54.6 | 0 | 0 | 0 | 0 | 111.7 | F445 R446 E447 T452 Y458 C461 I462 W465 | F445-T449 PolarHBondContact O-N 2.82Å; F445-T449 PolarHBondContact O-OG1 3.37Å; R446-T449 VanDerWaalsContact O-CB 3.31Å; R446-T449 WeakPolarHBondContact O-CB 3.41Å; R446-T449 PolarHBondContact O-N 3.02Å; E447-T449 VanDerWaalsContact C-N 3.31Å; E447-T449 PolarHBondContact O-N 3.2Å; T449-T452 PolarHBondContact O-OG1 3.49Å; T449-Y458 HydrophobicContact CG2-CD2 4.37Å; T449-Y458 HydrophobicContact CG2-CE2 4.3Å; T449-Y458 WeakPolarHBondContact O-CD2 3.1Å; T449-C461 HydrophobicContact CG2-CB 3.76Å; T449-I462 HydrophobicContact CG2-CD1 4.18Å; T449-W465 PolarHBondContact OG1-NE1 3.06Å; T449-W465 VanDerWaalsContact OG1-NE1 3.11Å |
| 450 | F | 87.7 | Confident | 85.4 | Confident | 31 Ų | 31 | 32.9 Ų | 32.9 | 14% | 0.136 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -89.8 | -14 | -177.8 | -63.4 | -69 | 0 | 0 | 0 | 115.2 | R446 E447 F448 Y458 F496 A499 L500 | R446-F450 HydrophobicContact CG-CD2 3.98Å; R446-F450 HydrophobicContact CG-CE2 3.84Å; R446-F450 WeakPolarHBondContact O-CD2 3.46Å; R446-F450 PolarHBondContact O-N 3.35Å; E447-F450 PolarHBondContact O-N 3.02Å; F448-F450 VanDerWaalsContact C-N 3.26Å; F448-F450 PolarHBondContact O-N 2.81Å; F448-F450 VanDerWaalsContact O-N 3.17Å; F450-Y458 HydrophobicContact CD1-CE2 4.45Å; F450-Y458 HydrophobicContact CE1-CE2 4.47Å; F450-F496 AromaticContact CE2-CD2 3.76Å; F450-F496 HydrophobicContact CE2-CD2 3.76Å; F450-F496 AromaticContact CE2-CE2 3.87Å; F450-F496 HydrophobicContact CE2-CE2 3.87Å; F450-F496 HydrophobicContact CE2-CG 4.46Å; F450-F496 HydrophobicContact CZ-CD2 4.07Å; F450-F496 AromaticContact CZ-CE2 3.83Å; F450-F496 HydrophobicContact CZ-CE2 3.83Å; F450-F496 HydrophobicContact CZ-CZ 4.24Å; F450-A499 HydrophobicContact CD1-CB 4.37Å; F450-A499 HydrophobicContact CD2-CB 3.63Å; F450-A499 HydrophobicContact CE1-CB 4.2Å; F450-A499 HydrophobicContact CE2-CB 3.43Å; F450-A499 VanDerWaalsContact CE2-CB 3.43Å; F450-A499 HydrophobicContact CG-CB 4.13Å; F450-A499 HydrophobicContact CZ-CB 3.74Å; F450-L500 HydrophobicContact CE1-CB 4.1Å; F450-L500 HydrophobicContact CZ-CB 3.84Å |
| 451 | F | 83.4 | Confident | 85.9 | Confident | 128 Ų | 128 | 29.4 Ų | 29.4 | 56% | 0.561 | 15% | 0.149 | S | C | * | . | H | α-helix | trans | -86.4 | -27.1 | 175.3 | -167.2 | -92.4 | 0 | 0 | 0 | 112.7 | T362 S363 E447 F448 S453 | T362-F451 WeakPolarHBondContact O-CD1 3.31Å; T362-F451 WeakPolarHBondContact O-CE1 3.38Å; S363-F451 VanDerWaalsContact CA-CD1 3.49Å; S363-F451 WeakPolarHBondContact O-CD2 3.31Å; S363-F451 VanDerWaalsContact O-CE2 3.32Å; S363-F451 WeakPolarHBondContact O-CE2 3.35Å; S363-F451 WeakPolarHBondContact O-CZ 3.28Å; E447-F451 VanDerWaalsContact O-CB 3.28Å; E447-F451 WeakPolarHBondContact O-CB 3.4Å; E447-F451 PolarHBondContact O-N 3.39Å; F448-F451 PolarHBondContact O-N 2.93Å; F448-F451 VanDerWaalsContact O-N 3.11Å; F451-S453 PolarHBondContact O-N 2.84Å |
| 452 | T | 78.7 | Confident | 86.2 | Confident | 3 Ų | 3 | 29.4 Ų | 29.4 | 2% | 0.018 | 15% | 0.149 | C | C | . | . | trans | -54.2 | 133.3 | 176.6 | 55.3 | 0 | 0 | 0 | 0 | 111.5 | F448 T449 | F448-T452 HydrophobicContact CD1-CG2 4.3Å; F448-T452 HydrophobicContact CD2-CG2 4.03Å; F448-T452 HydrophobicContact CE1-CG2 3.93Å; F448-T452 HydrophobicContact CE2-CG2 3.63Å; F448-T452 HydrophobicContact CG-CG2 4.35Å; F448-T452 HydrophobicContact CZ-CG2 3.57Å; F448-T452 VanDerWaalsContact O-CG2 3.32Å; F448-T452 WeakPolarHBondContact O-CG2 3.45Å; F448-T452 PolarHBondContact O-N 2.85Å; T449-T452 PolarHBondContact O-OG1 3.49Å | ||
| 453 | S | 69.9 | Low | 86.4 | Confident | 101 Ų | 101 | 32.1 Ų | 32.1 | 71% | 0.706 | 16% | 0.164 | S | C | * | . | trans | -97.6 | -22.7 | 176.3 | 61.2 | 0 | 0 | 0 | 0 | 112.5 | F451 | F451-S453 PolarHBondContact O-N 2.84Š| ||
| 454 | N | 79.9 | Confident | 86.5 | Confident | 32 Ų | 32 | 30.5 Ų | 30.5 | 17% | 0.171 | 16% | 0.156 | C | C | . | . | trans | -74.8 | 128.1 | 176.8 | 179.2 | -12.7 | 0 | 0 | 0 | 110.2 | D402 E456 T457 Y458 | D402-N454 PolarHBondContact OD1-ND2 3.13Å; N454-E456 PolarHBondContact OD1-N 3.31Å; N454-T457 HydrophobicContact CB-CG2 4.15Å; N454-T457 WeakPolarHBondContact CB-OG1 3.41Å; N454-T457 PolarHBondContact O-OG1 3.28Å; N454-Y458 WeakPolarHBondContact O-CB 3.32Å; N454-Y458 PolarHBondContact O-N 3.36Å; N454-Y458 VanDerWaalsContact O-N 3.11Å | ||
| 455 | F | 83.8 | Confident | 86.7 | Confident | 28 Ų | 28 | 30.5 Ų | 30.5 | 12% | 0.123 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -64.8 | -36.6 | -179.4 | 179.1 | -118.4 | 0 | 0 | 0 | 112.8 | Y458 L459 L516 E559 I562 F563 | F455-Y458 PolarHBondContact O-N 3.38Å; F455-L459 WeakPolarHBondContact O-CB 3.34Å; F455-L459 PolarHBondContact O-N 3.48Å; F455-L516 HydrophobicContact CB-CD2 4.46Å; F455-L516 HydrophobicContact CD2-CD2 3.84Å; F455-L516 HydrophobicContact CE2-CD2 4.4Å; F455-L516 HydrophobicContact CG-CD2 4.17Å; F455-E559 HydrophobicContact CD1-CB 3.99Å; F455-E559 HydrophobicContact CD1-CG 3.91Å; F455-E559 HydrophobicContact CE1-CB 3.85Å; F455-E559 HydrophobicContact CE1-CG 4Å; F455-E559 HydrophobicContact CG-CB 4.44Å; F455-E559 HydrophobicContact CZ-CB 4.19Å; F455-E559 WeakPolarHBondContact CZ-O 3.48Å; F455-I562 HydrophobicContact CE1-CB 4.41Å; F455-I562 HydrophobicContact CE1-CG2 4.34Å; F455-I562 HydrophobicContact CZ-CB 3.88Å; F455-I562 HydrophobicContact CZ-CG2 3.82Å; F455-F563 HydrophobicContact CE2-CB 3.77Å; F455-F563 HydrophobicContact CZ-CB 4.37Å |
| 456 | E | 85.6 | Confident | 86.6 | Confident | 119 Ų | 119 | 31.2 Ų | 31.2 | 56% | 0.556 | 16% | 0.161 | S | C | * | . | H | α-helix | trans | -69.8 | -41.1 | -179.7 | -169.7 | 179.2 | 177.6 | 0 | 0 | 111.9 | M406 N454 L459 S460 | M406-E456 HydrophobicContact CE-CG 4.03Å; M406-E456 HydrophobicContact SD-CG 4.31Å; N454-E456 PolarHBondContact OD1-N 3.31Å; E456-L459 PolarHBondContact O-N 3.45Å; E456-S460 WeakPolarHBondContact O-CB 3.43Å; E456-S460 PolarHBondContact O-N 3.24Å; E456-S460 PolarHBondContact O-OG 3.2Å |
| 457 | T | 86.1 | Confident | 86.3 | Confident | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -67.1 | -41.2 | 176.3 | 60.4 | 0 | 0 | 0 | 0 | 110.7 | E405 M406 N454 S460 C461 | E405-T457 HydrophobicContact CB-CG2 3.73Å; E405-T457 PolarHBondContact OE2-OG1 2.8Å; M406-T457 HydrophobicContact CG-CG2 3.85Å; M406-T457 HydrophobicContact SD-CG2 3.53Å; M406-T457 VanDerWaalsContact SD-CG2 3.53Å; N454-T457 HydrophobicContact CB-CG2 4.15Å; N454-T457 WeakPolarHBondContact CB-OG1 3.41Å; N454-T457 PolarHBondContact O-OG1 3.28Å; T457-S460 WeakPolarHBondContact CA-OG 3.22Å; T457-S460 PolarHBondContact O-N 2.86Å; T457-S460 PolarHBondContact O-OG 3.29Å; T457-S460 VanDerWaalsContact O-OG 3.08Å; T457-C461 WeakPolarHBondContact O-CB 3.3Å; T457-C461 PolarHBondContact O-N 3.48Å; T457-C461 PolarHBondContact O-SG 3.35Å |
| 458 | Y | 89.1 | Confident | 86.1 | Confident | 3 Ų | 3 | 30.7 Ų | 30.7 | 1% | 0.012 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -58 | -52.8 | 172.8 | 176.3 | -98.5 | 0 | 0 | 0 | 111.7 | T449 F450 N454 F455 S460 C461 I462 Y512 F563 S567 | T449-Y458 HydrophobicContact CG2-CD2 4.37Å; T449-Y458 HydrophobicContact CG2-CE2 4.3Å; T449-Y458 WeakPolarHBondContact O-CD2 3.1Å; F450-Y458 HydrophobicContact CD1-CE2 4.45Å; F450-Y458 HydrophobicContact CE1-CE2 4.47Å; N454-Y458 WeakPolarHBondContact O-CB 3.32Å; N454-Y458 PolarHBondContact O-N 3.36Å; N454-Y458 VanDerWaalsContact O-N 3.11Å; F455-Y458 PolarHBondContact O-N 3.38Å; Y458-S460 VanDerWaalsContact C-N 3.3Å; Y458-S460 PolarHBondContact O-N 3.09Å; Y458-C461 WeakPolarHBondContact O-CB 3.37Å; Y458-C461 PolarHBondContact O-N 2.87Å; Y458-I462 HydrophobicContact CD1-CG1 4.07Å; Y458-I462 HydrophobicContact CD2-CG1 4.29Å; Y458-I462 HydrophobicContact CE1-CD1 4.3Å; Y458-I462 HydrophobicContact CE1-CG1 3.59Å; Y458-I462 HydrophobicContact CE2-CD1 3.99Å; Y458-I462 HydrophobicContact CE2-CG1 3.85Å; Y458-I462 HydrophobicContact CG-CG1 4.4Å; Y458-I462 VanDerWaalsContact CZ-CG1 3.47Å; Y458-I462 WeakPolarHBondContact O-CB 3.41Å; Y458-I462 VanDerWaalsContact O-CG1 3.32Å; Y458-I462 WeakPolarHBondContact O-CG1 3.41Å; Y458-I462 PolarHBondContact O-N 3.17Å; Y458-Y512 WeakPolarHBondContact CD1-OH 3.43Å; Y458-F563 HydrophobicContact CD1-CD2 4.14Å; Y458-F563 HydrophobicContact CD1-CE2 4.39Å; Y458-F563 AromaticContact CE1-CD2 3.48Å; Y458-F563 HydrophobicContact CE1-CD2 3.48Å; Y458-F563 VanDerWaalsContact CE1-CD2 3.48Å; Y458-F563 AromaticContact CE1-CE2 3.47Å; Y458-F563 HydrophobicContact CE1-CE2 3.47Å; Y458-F563 VanDerWaalsContact CE1-CE2 3.47Å; Y458-F563 AromaticContact CZ-CE2 3.66Å; Y458-F563 WeakPolarHBondContact OH-CE2 3.33Å; Y458-S567 PolarHBondContact OH-OG 3.5Å |
| 459 | L | 90.2 | Very high | 85.9 | Confident | 41 Ų | 41 | 30.7 Ų | 30.7 | 22% | 0.215 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -60.3 | -41.8 | -177.8 | 177.9 | 60.7 | 0 | 0 | 0 | 111.8 | F455 E456 I462 N463 I562 E566 | F455-L459 WeakPolarHBondContact O-CB 3.34Å; F455-L459 PolarHBondContact O-N 3.48Å; E456-L459 PolarHBondContact O-N 3.45Å; L459-I462 PolarHBondContact O-N 2.78Å; L459-N463 VanDerWaalsContact O-CG 3.3Å; L459-N463 PolarHBondContact O-N 3.4Å; L459-N463 PolarHBondContact O-ND2 3.29Å; L459-I562 HydrophobicContact CD2-CG2 4.17Å; L459-E566 HydrophobicContact CD1-CB 3.62Å; L459-E566 HydrophobicContact CD1-CG 3.53Å |
| 460 | S | 89.7 | Confident | 85.6 | Confident | 11 Ų | 11 | 34.4 Ų | 34.4 | 8% | 0.077 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -70.8 | -32.3 | 178.6 | 50.1 | 0 | 0 | 0 | 0 | 113 | E456 T457 Y458 I464 | E456-S460 WeakPolarHBondContact O-CB 3.43Å; E456-S460 PolarHBondContact O-N 3.24Å; E456-S460 PolarHBondContact O-OG 3.2Å; T457-S460 WeakPolarHBondContact CA-OG 3.22Å; T457-S460 PolarHBondContact O-N 2.86Å; T457-S460 PolarHBondContact O-OG 3.29Å; T457-S460 VanDerWaalsContact O-OG 3.08Å; Y458-S460 VanDerWaalsContact C-N 3.3Å; Y458-S460 PolarHBondContact O-N 3.09Å; S460-I464 WeakPolarHBondContact O-CG1 3.43Å; S460-I464 PolarHBondContact O-N 3Å |
| 461 | C | 91.3 | Very high | 85.1 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -65 | -44.1 | 168.4 | -68.7 | 0 | 0 | 0 | 0 | 112 | F445 T449 T457 Y458 N463 I464 W465 | F445-C461 HydrophobicContact CE2-CB 4.22Å; F445-C461 HydrophobicContact CZ-CB 4.13Å; T449-C461 HydrophobicContact CG2-CB 3.76Å; T457-C461 WeakPolarHBondContact O-CB 3.3Å; T457-C461 PolarHBondContact O-N 3.48Å; T457-C461 PolarHBondContact O-SG 3.35Å; Y458-C461 WeakPolarHBondContact O-CB 3.37Å; Y458-C461 PolarHBondContact O-N 2.87Å; C461-N463 VanDerWaalsContact C-N 3.32Å; C461-N463 PolarHBondContact O-N 3.07Å; C461-I464 WeakPolarHBondContact O-CB 3.08Å; C461-I464 PolarHBondContact O-N 3.49Å; C461-I464 VanDerWaalsContact O-N 3.11Å; C461-W465 VanDerWaalsContact O-CD1 3.23Å; C461-W465 PolarHBondContact O-N 3.36Å |
| 462 | I | 91.1 | Very high | 84.8 | Confident | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -60.5 | -42.2 | 178.2 | -73 | -64.9 | 0 | 0 | 0 | 111 | T449 Y458 L459 I464 W465 S466 F496 L500 E566 T570 | T449-I462 HydrophobicContact CG2-CD1 4.18Å; Y458-I462 HydrophobicContact CD1-CG1 4.07Å; Y458-I462 HydrophobicContact CD2-CG1 4.29Å; Y458-I462 HydrophobicContact CE1-CD1 4.3Å; Y458-I462 HydrophobicContact CE1-CG1 3.59Å; Y458-I462 HydrophobicContact CE2-CD1 3.99Å; Y458-I462 HydrophobicContact CE2-CG1 3.85Å; Y458-I462 HydrophobicContact CG-CG1 4.4Å; Y458-I462 VanDerWaalsContact CZ-CG1 3.47Å; Y458-I462 WeakPolarHBondContact O-CB 3.41Å; Y458-I462 VanDerWaalsContact O-CG1 3.32Å; Y458-I462 WeakPolarHBondContact O-CG1 3.41Å; Y458-I462 PolarHBondContact O-N 3.17Å; L459-I462 PolarHBondContact O-N 2.78Å; I462-I464 VanDerWaalsContact C-N 3.29Å; I462-I464 PolarHBondContact O-N 3.08Å; I462-W465 WeakPolarHBondContact O-CB 3.35Å; I462-W465 PolarHBondContact O-N 3.18Å; I462-W465 VanDerWaalsContact O-N 3.13Å; I462-S466 PolarHBondContact O-N 3Å; I462-F496 HydrophobicContact CD1-CZ 4.21Å; I462-L500 HydrophobicContact CD1-CD1 3.91Å; I462-E566 HydrophobicContact CG2-CB 4.46Å; I462-T570 HydrophobicContact CG2-CG2 3.22Å |
| 463 | N | 89.4 | Confident | 84.6 | Confident | 74 Ų | 74 | 32 Ų | 32 | 40% | 0.396 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -64.5 | -30.7 | 174.6 | -71.5 | -23.1 | 0 | 0 | 0 | 113.7 | L459 C461 S466 G467 | L459-N463 VanDerWaalsContact O-CG 3.3Å; L459-N463 PolarHBondContact O-N 3.4Å; L459-N463 PolarHBondContact O-ND2 3.29Å; C461-N463 VanDerWaalsContact C-N 3.32Å; C461-N463 PolarHBondContact O-N 3.07Å; N463-S466 WeakPolarHBondContact CA-OG 3.48Å; N463-S466 PolarHBondContact O-OG 3.41Å; N463-G467 PolarHBondContact O-N 3.11Å |
| 464 | I | 88.7 | Confident | 84.6 | Confident | 12 Ų | 12 | 34.1 Ų | 34.1 | 6% | 0.062 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -69.2 | -44.1 | 172.6 | -68.7 | 166.6 | 0 | 0 | 0 | 109.6 | V409 I412 R413 L416 F445 S460 C461 I462 S466 G467 V468 | V409-I464 HydrophobicContact CG1-CD1 3.61Å; V409-I464 WeakPolarHBondContact O-CD1 3.46Å; I412-I464 HydrophobicContact CG2-CD1 4.27Å; I412-I464 HydrophobicContact CG2-CG2 4.23Å; R413-I464 HydrophobicContact CB-CD1 3.86Å; R413-I464 HydrophobicContact CB-CG1 4.1Å; R413-I464 HydrophobicContact CG-CD1 4.5Å; R413-I464 HydrophobicContact CG-CG1 4.23Å; L416-I464 HydrophobicContact CD2-CG2 3.63Å; F445-I464 HydrophobicContact CE1-CG2 3.96Å; F445-I464 HydrophobicContact CZ-CB 4.22Å; F445-I464 HydrophobicContact CZ-CD1 4.42Å; F445-I464 HydrophobicContact CZ-CG2 4.01Å; S460-I464 WeakPolarHBondContact O-CG1 3.43Å; S460-I464 PolarHBondContact O-N 3Å; C461-I464 WeakPolarHBondContact O-CB 3.08Å; C461-I464 PolarHBondContact O-N 3.49Å; C461-I464 VanDerWaalsContact O-N 3.11Å; I462-I464 VanDerWaalsContact C-N 3.29Å; I462-I464 PolarHBondContact O-N 3.08Å; I464-S466 PolarHBondContact O-N 2.59Å; I464-G467 PolarHBondContact O-N 3.27Å; I464-V468 WeakPolarHBondContact O-CG2 3.47Å; I464-V468 PolarHBondContact O-N 3.48Å |
| 465 | W | 90.6 | Very high | 83.9 | Confident | 2 Ų | 2 | 33.3 Ų | 33.3 | 1% | 0.008 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -62.4 | -39.7 | 176.7 | -78.5 | 111.6 | 0 | 0 | 0 | 113.1 | L442 F445 R446 T449 C461 I462 V468 F469 F496 | L442-W465 HydrophobicContact CD2-CH2 4.06Å; L442-W465 HydrophobicContact CD2-CZ3 4.38Å; F445-W465 HydrophobicContact CB-CZ2 4.46Å; F445-W465 HydrophobicContact CD1-CD2 4.35Å; F445-W465 AromaticContact CD1-CE2 3.45Å; F445-W465 VanDerWaalsContact CD1-CE2 3.45Å; F445-W465 HydrophobicContact CD1-CH2 4.14Å; F445-W465 AromaticContact CD1-CZ2 3.33Å; F445-W465 HydrophobicContact CD1-CZ2 3.33Å; F445-W465 AromaticContact CD1-NE1 3.55Å; F445-W465 AromaticContact CE1-CD1 3.72Å; F445-W465 HydrophobicContact CE1-CD2 4.01Å; F445-W465 AromaticContact CE1-CE2 3.41Å; F445-W465 VanDerWaalsContact CE1-CE2 3.41Å; F445-W465 HydrophobicContact CE1-CG 4.21Å; F445-W465 AromaticContact CE1-CZ2 3.84Å; F445-W465 HydrophobicContact CE1-CZ2 3.84Å; F445-W465 AromaticContact CE1-NE1 3.18Å; F445-W465 HydrophobicContact CG-CZ2 4.17Å; F445-W465 AromaticContact CZ-NE1 3.73Å; R446-W465 HydrophobicContact CB-CZ2 4.14Å; T449-W465 PolarHBondContact OG1-NE1 3.06Å; T449-W465 VanDerWaalsContact OG1-NE1 3.11Å; C461-W465 VanDerWaalsContact O-CD1 3.23Å; C461-W465 PolarHBondContact O-N 3.36Å; I462-W465 WeakPolarHBondContact O-CB 3.35Å; I462-W465 PolarHBondContact O-N 3.18Å; I462-W465 VanDerWaalsContact O-N 3.13Å; W465-V468 HydrophobicContact CE3-CG1 4.45Å; W465-V468 WeakPolarHBondContact O-CB 3.31Å; W465-V468 PolarHBondContact O-N 3.12Å; W465-F469 HydrophobicContact CB-CE2 3.95Å; W465-F469 HydrophobicContact CB-CZ 4Å; W465-F469 HydrophobicContact CD2-CZ 4.18Å; W465-F469 AromaticContact CE3-CE1 3.61Å; W465-F469 HydrophobicContact CE3-CE1 3.61Å; W465-F469 AromaticContact CE3-CZ 3.6Å; W465-F469 HydrophobicContact CE3-CZ 3.6Å; W465-F469 HydrophobicContact CG-CZ 4.39Å; W465-F469 HydrophobicContact CZ3-CE1 4.15Å; W465-F469 HydrophobicContact CZ3-CZ 4.4Å; W465-F469 WeakPolarHBondContact O-CD2 3.45Å; W465-F469 WeakPolarHBondContact O-CG 3.42Å; W465-F469 PolarHBondContact O-N 3.06Å; W465-F496 HydrophobicContact CB-CE2 4.33Å; W465-F496 HydrophobicContact CB-CZ 3.93Å; W465-F496 AromaticContact CD1-CE2 3.39Å; W465-F496 AromaticContact CD1-CZ 3.79Å; W465-F496 AromaticContact CD2-CD2 3.98Å; W465-F496 HydrophobicContact CD2-CD2 3.98Å; W465-F496 AromaticContact CD2-CE2 3.67Å; W465-F496 HydrophobicContact CD2-CE2 3.67Å; W465-F496 HydrophobicContact CD2-CZ 4.09Å; W465-F496 AromaticContact CE2-CD2 3.71Å; W465-F496 AromaticContact CE2-CE2 3.56Å; W465-F496 HydrophobicContact CE3-CD2 4.48Å; W465-F496 HydrophobicContact CG-CD2 4.35Å; W465-F496 AromaticContact CG-CE2 3.56Å; W465-F496 HydrophobicContact CG-CE2 3.56Å; W465-F496 AromaticContact CG-CZ 3.66Å; W465-F496 HydrophobicContact CG-CZ 3.66Å; W465-F496 HydrophobicContact CH2-CD2 4.49Å; W465-F496 AromaticContact CZ2-CD2 3.99Å; W465-F496 HydrophobicContact CZ2-CD2 3.99Å; W465-F496 HydrophobicContact CZ2-CE2 4.3Å; W465-F496 AromaticContact NE1-CD2 3.95Å; W465-F496 AromaticContact NE1-CE2 3.38Å |
| 466 | S | 88.1 | Confident | 82.9 | Confident | 15 Ų | 15 | 34 Ų | 34 | 11% | 0.105 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -61.2 | -47.3 | 173.4 | 50.6 | 0 | 0 | 0 | 0 | 112 | I462 N463 I464 V468 F469 E470 | I462-S466 PolarHBondContact O-N 3Å; N463-S466 WeakPolarHBondContact CA-OG 3.48Å; N463-S466 PolarHBondContact O-OG 3.41Å; I464-S466 PolarHBondContact O-N 2.59Å; S466-V468 PolarHBondContact O-N 2.98Å; S466-F469 PolarHBondContact O-N 2.88Å; S466-E470 WeakPolarHBondContact O-CB 3.23Å; S466-E470 WeakPolarHBondContact O-CG 3.16Å; S466-E470 PolarHBondContact O-N 3.48Å |
| 467 | G | 84.5 | Confident | 81.8 | Confident | 35 Ų | 35 | 35.5 Ų | 35.5 | 36% | 0.361 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -58.5 | -36.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | N463 I464 S471 | N463-G467 PolarHBondContact O-N 3.11Å; I464-G467 PolarHBondContact O-N 3.27Å; G467-S471 WeakPolarHBondContact O-CB 3.44Å; G467-S471 PolarHBondContact O-N 3.1Å; G467-S471 PolarHBondContact O-OG 2.8Å |
| 468 | V | 82.4 | Confident | 80.4 | Confident | 9 Ų | 9 | 43.7 Ų | 43.7 | 6% | 0.055 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -64.2 | -49.3 | 172.6 | 171 | 0 | 0 | 0 | 0 | 111.1 | L416 L420 I464 W465 S466 E470 S471 L472 | L416-V468 HydrophobicContact CD1-CG2 4.45Å; L416-V468 HydrophobicContact CD2-CG2 3.19Å; L416-V468 HydrophobicContact CG-CG2 3.59Å; L420-V468 HydrophobicContact CD1-CB 4.29Å; L420-V468 HydrophobicContact CD1-CG1 3.92Å; L420-V468 HydrophobicContact CD1-CG2 4.11Å; I464-V468 WeakPolarHBondContact O-CG2 3.47Å; I464-V468 PolarHBondContact O-N 3.48Å; W465-V468 HydrophobicContact CE3-CG1 4.45Å; W465-V468 WeakPolarHBondContact O-CB 3.31Å; W465-V468 PolarHBondContact O-N 3.12Å; S466-V468 PolarHBondContact O-N 2.98Å; V468-E470 PolarHBondContact O-N 3.04Å; V468-S471 PolarHBondContact O-N 2.88Å; V468-S471 PolarHBondContact O-OG 2.89Å; V468-L472 HydrophobicContact CG1-CD1 3.78Å; V468-L472 WeakPolarHBondContact O-CB 3.3Å; V468-L472 WeakPolarHBondContact O-CG 3.42Å; V468-L472 PolarHBondContact O-N 3.1Å |
| 469 | F | 85 | Confident | 78.5 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -65.1 | -40.5 | -178.9 | -58.3 | -29 | 0 | 0 | 0 | 112.3 | W465 S466 L472 Q473 L493 F496 H573 L574 L577 | W465-F469 HydrophobicContact CB-CE2 3.95Å; W465-F469 HydrophobicContact CB-CZ 4Å; W465-F469 HydrophobicContact CD2-CZ 4.18Å; W465-F469 AromaticContact CE3-CE1 3.61Å; W465-F469 HydrophobicContact CE3-CE1 3.61Å; W465-F469 AromaticContact CE3-CZ 3.6Å; W465-F469 HydrophobicContact CE3-CZ 3.6Å; W465-F469 HydrophobicContact CG-CZ 4.39Å; W465-F469 HydrophobicContact CZ3-CE1 4.15Å; W465-F469 HydrophobicContact CZ3-CZ 4.4Å; W465-F469 WeakPolarHBondContact O-CD2 3.45Å; W465-F469 WeakPolarHBondContact O-CG 3.42Å; W465-F469 PolarHBondContact O-N 3.06Å; S466-F469 PolarHBondContact O-N 2.88Å; F469-L472 HydrophobicContact CD1-CD1 4.43Å; F469-L472 PolarHBondContact O-N 3.35Å; F469-Q473 WeakPolarHBondContact O-CB 3.2Å; F469-Q473 PolarHBondContact O-N 3.05Å; F469-L493 HydrophobicContact CD1-CD2 4.09Å; F469-L493 HydrophobicContact CE1-CD2 3.5Å; F469-L493 VanDerWaalsContact CE1-CD2 3.5Å; F469-L493 HydrophobicContact CZ-CD2 4.45Å; F469-F496 HydrophobicContact CE2-CD1 4.14Å; F469-F496 AromaticContact CE2-CE1 3.64Å; F469-F496 HydrophobicContact CE2-CE1 3.64Å; F469-F496 HydrophobicContact CE2-CZ 4.32Å; F469-F496 AromaticContact CZ-CD1 3.64Å; F469-F496 HydrophobicContact CZ-CD1 3.64Å; F469-F496 AromaticContact CZ-CE1 3.54Å; F469-F496 HydrophobicContact CZ-CE1 3.54Å; F469-F496 HydrophobicContact CZ-CG 4.36Å; F469-F496 HydrophobicContact CZ-CZ 4.2Å; F469-H573 HydrophobicContact CB-CB 3.76Å; F469-H573 HydrophobicContact CD2-CB 4.22Å; F469-H573 HydrophobicContact CG-CB 4.48Å; F469-L574 HydrophobicContact CD1-CD1 4.15Å; F469-L574 HydrophobicContact CD2-CB 4.15Å; F469-L574 HydrophobicContact CD2-CD1 4.31Å; F469-L574 HydrophobicContact CE1-CD1 3.65Å; F469-L574 HydrophobicContact CE2-CB 4.1Å; F469-L574 HydrophobicContact CE2-CD1 3.81Å; F469-L574 HydrophobicContact CG-CD1 4.49Å; F469-L574 HydrophobicContact CZ-CD1 3.46Å; F469-L574 VanDerWaalsContact CZ-CD1 3.46Å; F469-L577 HydrophobicContact CB-CD1 3.84Å; F469-L577 HydrophobicContact CD1-CD1 3.95Å; F469-L577 HydrophobicContact CG-CD1 4.15Å |
| 470 | E | 82.3 | Confident | 76.4 | Confident | 78 Ų | 78 | 49.6 Ų | 49.6 | 36% | 0.364 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -60 | -47.9 | 173.1 | -73.7 | 177.4 | -167.7 | 0 | 0 | 110.9 | S466 V468 L472 Q473 F474 H573 | S466-E470 WeakPolarHBondContact O-CB 3.23Å; S466-E470 WeakPolarHBondContact O-CG 3.16Å; S466-E470 PolarHBondContact O-N 3.48Å; V468-E470 PolarHBondContact O-N 3.04Å; E470-L472 VanDerWaalsContact C-N 3.32Å; E470-L472 PolarHBondContact O-N 3.26Å; E470-Q473 WeakPolarHBondContact O-CB 3.45Å; E470-Q473 PolarHBondContact O-N 3.39Å; E470-Q473 VanDerWaalsContact O-N 3.08Å; E470-F474 WeakPolarHBondContact O-CD2 3.43Å; E470-F474 PolarHBondContact O-N 3.4Å; E470-H573 IonicContact OE1-CE1 3.31Å; E470-H573 IonicContact OE1-NE2 3.26Å; E470-H573 PolarHBondContact OE1-NE2 3.05Å |
| 471 | S | 77 | Confident | 74.7 | Confident | 41 Ų | 41 | 54.5 Ų | 54.5 | 29% | 0.287 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -61.9 | -39.9 | 178.1 | 72.7 | 0 | 0 | 0 | 0 | 112.4 | L420 G467 V468 Q473 S475 | L420-S471 WeakPolarHBondContact CD1-OG 3.39Å; G467-S471 WeakPolarHBondContact O-CB 3.44Å; G467-S471 PolarHBondContact O-N 3.1Å; G467-S471 PolarHBondContact O-OG 2.8Å; V468-S471 PolarHBondContact O-N 2.88Å; V468-S471 PolarHBondContact O-OG 2.89Å; S471-Q473 VanDerWaalsContact C-N 3.35Å; S471-S475 WeakPolarHBondContact O-CB 3.45Å; S471-S475 PolarHBondContact O-N 3.22Å |
| 472 | L | 76.7 | Confident | 73 | Confident | 11 Ų | 11 | 63.1 Ų | 63.1 | 6% | 0.058 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -62.4 | -42.6 | 172.2 | -77.2 | 161.7 | 0 | 0 | 0 | 110.8 | Y424 V468 F469 E470 S475 T476 L483 L577 | Y424-L472 WeakPolarHBondContact OH-CD2 3.46Å; V468-L472 HydrophobicContact CG1-CD1 3.78Å; V468-L472 WeakPolarHBondContact O-CB 3.3Å; V468-L472 WeakPolarHBondContact O-CG 3.42Å; V468-L472 PolarHBondContact O-N 3.1Å; F469-L472 HydrophobicContact CD1-CD1 4.43Å; F469-L472 PolarHBondContact O-N 3.35Å; E470-L472 VanDerWaalsContact C-N 3.32Å; E470-L472 PolarHBondContact O-N 3.26Å; L472-S475 PolarHBondContact O-N 3.47Å; L472-S475 PolarHBondContact O-OG 3.43Å; L472-T476 VanDerWaalsContact O-CG2 3.32Å; L472-T476 WeakPolarHBondContact O-CG2 3.27Å; L472-T476 PolarHBondContact O-N 3.42Å; L472-L483 HydrophobicContact CD2-CD1 4.23Å; L472-L577 HydrophobicContact CB-CD1 4.02Å; L472-L577 HydrophobicContact CB-CD2 3.98Å; L472-L577 HydrophobicContact CD1-CD1 4.26Å |
| 473 | Q | 75.3 | Confident | 71.4 | Confident | 61 Ų | 61 | 64.7 Ų | 64.7 | 29% | 0.285 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -67.2 | -41.5 | -179.2 | -170.4 | 178.1 | 0 | 0 | 0 | 112.1 | F469 E470 S471 S475 T476 H477 L577 | F469-Q473 WeakPolarHBondContact O-CB 3.2Å; F469-Q473 PolarHBondContact O-N 3.05Å; E470-Q473 WeakPolarHBondContact O-CB 3.45Å; E470-Q473 PolarHBondContact O-N 3.39Å; E470-Q473 VanDerWaalsContact O-N 3.08Å; S471-Q473 VanDerWaalsContact C-N 3.35Å; Q473-S475 VanDerWaalsContact C-N 3.27Å; Q473-S475 PolarHBondContact O-N 3.08Å; Q473-T476 PolarHBondContact O-N 2.97Å; Q473-T476 PolarHBondContact O-OG1 3.35Å; Q473-H477 PolarHBondContact O-N 3.36Å; Q473-H477 PolarHBondContact O-ND1 2.91Å; Q473-L577 HydrophobicContact CB-CD2 3.89Å |
| 474 | F | 70.3 | Confident | 70.1 | Confident | 145 Ų | 145 | 63 Ų | 63 | 64% | 0.636 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -62.9 | -36.1 | 172.3 | -77.9 | -67.6 | 0 | 0 | 0 | 111.7 | E470 H477 Q478 | E470-F474 WeakPolarHBondContact O-CD2 3.43Å; E470-F474 PolarHBondContact O-N 3.4Å; F474-H477 PolarHBondContact O-N 3.28Å; F474-Q478 PolarHBondContact O-N 2.96Å |
| 475 | S | 65.9 | Low | 68.7 | Low | 15 Ų | 15 | 66.5 Ų | 66.5 | 11% | 0.105 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -71.1 | -37.3 | 179.5 | 78.6 | 0 | 0 | 0 | 0 | 113.6 | Y424 S471 L472 Q473 H477 Q478 S479 | Y424-S475 VanDerWaalsContact CE1-CB 3.46Å; Y424-S475 VanDerWaalsContact CE1-OG 3.29Å; Y424-S475 WeakPolarHBondContact CE1-OG 3.24Å; Y424-S475 PolarHBondContact OH-OG 3.3Å; S471-S475 WeakPolarHBondContact O-CB 3.45Å; S471-S475 PolarHBondContact O-N 3.22Å; L472-S475 PolarHBondContact O-N 3.47Å; L472-S475 PolarHBondContact O-OG 3.43Å; Q473-S475 VanDerWaalsContact C-N 3.27Å; Q473-S475 PolarHBondContact O-N 3.08Å; S475-H477 PolarHBondContact O-N 3.35Å; S475-Q478 PolarHBondContact O-N 3.44Å; S475-S479 PolarHBondContact O-N 3.22Å; S475-S479 PolarHBondContact O-OG 3.23Å; S475-S479 VanDerWaalsContact O-OG 3.1Å |
| 476 | T | 62.3 | Low | 67.6 | Low | 43 Ų | 43 | 68.7 Ų | 68.7 | 26% | 0.264 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -66.8 | -26.4 | 178.3 | 57.3 | 0 | 0 | 0 | 0 | 111.6 | L472 Q473 Q478 L484 | L472-T476 VanDerWaalsContact O-CG2 3.32Å; L472-T476 WeakPolarHBondContact O-CG2 3.27Å; L472-T476 PolarHBondContact O-N 3.42Å; Q473-T476 PolarHBondContact O-N 2.97Å; Q473-T476 PolarHBondContact O-OG1 3.35Å; T476-Q478 VanDerWaalsContact C-N 3.33Å; T476-L484 HydrophobicContact CG2-CD1 3.51Å; T476-L484 HydrophobicContact CG2-CG 4.27Å |
| 477 | H | 61.6 | Low | 66.8 | Low | 149 Ų | 149 | 71.9 Ų | 71.9 | 69% | 0.69 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -73.6 | -25.3 | 172.6 | -70.1 | 31.6 | 0 | 0 | 0 | 112.5 | Q473 F474 S475 | Q473-H477 PolarHBondContact O-N 3.36Å; Q473-H477 PolarHBondContact O-ND1 2.91Å; F474-H477 PolarHBondContact O-N 3.28Å; S475-H477 PolarHBondContact O-N 3.35Å |
| 478 | Q | 57.9 | Low | 66.4 | Low | 172 Ų | 172 | 73.2 Ų | 73.2 | 80% | 0.804 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -98 | -30.1 | -177.5 | -67.7 | -176.6 | 9.1 | 0 | 0 | 113.9 | F474 S475 T476 | F474-Q478 PolarHBondContact O-N 2.96Å; S475-Q478 PolarHBondContact O-N 3.44Å; T476-Q478 VanDerWaalsContact C-N 3.33Å |
| 479 | S | 49.2 | Very low | 66.2 | Low | 64 Ų | 64 | 73.7 Ų | 73.7 | 45% | 0.448 | 39% | 0.393 | S | S | . | . | S | Bend | trans | -144.5 | 129.2 | -173.7 | 53.8 | 0 | 0 | 0 | 0 | 111.5 | S475 | S475-S479 PolarHBondContact O-N 3.22Å; S475-S479 PolarHBondContact O-OG 3.23Å; S475-S479 VanDerWaalsContact O-OG 3.1Å |
| 480 | S | 44.3 | Very low | 66 | Low | 104 Ų | 104 | 76.6 Ų | 76.6 | 73% | 0.727 | 41% | 0.406 | S | S | * | . | trans | -57 | 128.4 | -174.9 | 53.1 | 0 | 0 | 0 | 0 | 113.3 | Y482 | S480-Y482 PolarHBondContact O-N 3.11Š| ||
| 481 | D | 55.3 | Low | 66.1 | Low | 115 Ų | 115 | 77.2 Ų | 77.2 | 62% | 0.615 | 41% | 0.405 | S | S | * | . | S | Bend | trans | 34.7 | -6.6 | 150.4 | -64.7 | -16.7 | 0 | 0 | 0 | 122.3 | L483 L484 S485 | D481-L483 PolarHBondContact O-N 3.44Å; D481-L484 PolarHBondContact O-N 3.4Å; D481-S485 WeakPolarHBondContact O-CB 3.48Å; D481-S485 PolarHBondContact O-N 3.11Å; D481-S485 PolarHBondContact O-OG 3.02Å |
| 482 | Y | 55.3 | Low | 66.5 | Low | 180 Ų | 180 | 75.4 Ų | 75.4 | 71% | 0.706 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -63.9 | -45.8 | -167 | -173.2 | -100.8 | 0 | 0 | 0 | 112.1 | S480 S485 N486 | S480-Y482 PolarHBondContact O-N 3.11Å; Y482-S485 PolarHBondContact O-N 3.32Å; Y482-S485 PolarHBondContact O-OG 3.22Å; Y482-N486 PolarHBondContact O-N 3.21Å |
| 483 | L | 56.6 | Low | 67 | Low | 33 Ų | 33 | 75.1 Ų | 75.1 | 17% | 0.173 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -71.7 | -37.4 | 177.5 | -73.1 | -175.6 | 0 | 0 | 0 | 113.6 | V423 Y424 L472 D481 S485 N486 | V423-L483 HydrophobicContact CG1-CD1 4.01Å; V423-L483 HydrophobicContact CG1-CD2 3.6Å; V423-L483 HydrophobicContact CG1-CG 4.35Å; Y424-L483 HydrophobicContact CD1-CD1 3.94Å; Y424-L483 HydrophobicContact CE1-CD1 3.23Å; Y424-L483 HydrophobicContact CE1-CG 4.35Å; L472-L483 HydrophobicContact CD2-CD1 4.23Å; D481-L483 PolarHBondContact O-N 3.44Å; L483-S485 VanDerWaalsContact C-N 3.27Å; L483-S485 PolarHBondContact O-N 2.84Å; L483-N486 WeakPolarHBondContact O-CB 3.35Å; L483-N486 PolarHBondContact O-N 3.46Å |
| 484 | L | 62.3 | Low | 67.5 | Low | 40 Ų | 40 | 73.3 Ų | 73.3 | 21% | 0.209 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -71 | -27.6 | 176.3 | -72.1 | 171.2 | 0 | 0 | 0 | 111.7 | T476 D481 N486 L493 L578 | T476-L484 HydrophobicContact CG2-CD1 3.51Å; T476-L484 HydrophobicContact CG2-CG 4.27Å; D481-L484 PolarHBondContact O-N 3.4Å; L484-N486 VanDerWaalsContact C-N 3.26Å; L484-N486 PolarHBondContact O-N 3.15Å; L484-L493 HydrophobicContact CD2-CD1 4.42Å; L484-L578 HydrophobicContact CD2-CD2 4.16Å |
| 485 | S | 59.9 | Low | 68.4 | Low | 85 Ų | 85 | 69.3 Ų | 69.3 | 59% | 0.594 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -73.7 | -18.1 | 173.4 | 77.6 | 0 | 0 | 0 | 0 | 113 | D481 Y482 L483 S487 | D481-S485 WeakPolarHBondContact O-CB 3.48Å; D481-S485 PolarHBondContact O-N 3.11Å; D481-S485 PolarHBondContact O-OG 3.02Å; Y482-S485 PolarHBondContact O-N 3.32Å; Y482-S485 PolarHBondContact O-OG 3.22Å; L483-S485 VanDerWaalsContact C-N 3.27Å; L483-S485 PolarHBondContact O-N 2.84Å; S485-S487 PolarHBondContact O-N 3.13Å; S485-S487 VanDerWaalsContact O-N 3.13Å |
| 486 | N | 67.9 | Low | 69.6 | Low | 47 Ų | 47 | 68.6 Ų | 68.6 | 25% | 0.251 | 36% | 0.362 | S | S | . | . | trans | -72.2 | 108.6 | 175.2 | -166 | -18.1 | 0 | 0 | 0 | 109.4 | Y482 L483 L484 N488 V489 H490 | Y482-N486 PolarHBondContact O-N 3.21Å; L483-N486 WeakPolarHBondContact O-CB 3.35Å; L483-N486 PolarHBondContact O-N 3.46Å; L484-N486 VanDerWaalsContact C-N 3.26Å; L484-N486 PolarHBondContact O-N 3.15Å; N486-N488 PolarHBondContact O-N 3.43Å; N486-N488 PolarHBondContact OD1-N 3.19Å; N486-V489 HydrophobicContact CB-CG2 4.19Å; N486-V489 PolarHBondContact O-N 2.94Å; N486-H490 PolarHBondContact O-N 3.06Å; N486-H490 VanDerWaalsContact O-N 3.13Å | ||
| 487 | S | 70.7 | Confident | 70.9 | Confident | 82 Ų | 82 | 66.5 Ų | 66.5 | 57% | 0.573 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -54.3 | -31.3 | -174.5 | 59.1 | 0 | 0 | 0 | 0 | 113.2 | S485 R491 | S485-S487 PolarHBondContact O-N 3.13Å; S485-S487 VanDerWaalsContact O-N 3.13Å; S487-R491 VanDerWaalsContact O-CB 3.25Å; S487-R491 WeakPolarHBondContact O-CB 3.36Å; S487-R491 PolarHBondContact O-N 3.22Å |
| 488 | N | 76.8 | Confident | 72.3 | Confident | 63 Ų | 63 | 62.8 Ų | 62.8 | 34% | 0.337 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -71 | -41 | 178.7 | -70.7 | -27.5 | 0 | 0 | 0 | 112.4 | M439 N486 R491 I492 | M439-N488 HydrophobicContact CE-CB 3.4Å; M439-N488 WeakPolarHBondContact CE-O 3.18Å; M439-N488 HydrophobicContact CG-CB 4.45Å; N486-N488 PolarHBondContact O-N 3.43Å; N486-N488 PolarHBondContact OD1-N 3.19Å; N488-R491 PolarHBondContact O-N 3.44Å; N488-I492 WeakPolarHBondContact O-CG1 3.46Å; N488-I492 PolarHBondContact O-N 3.21Å |
| 489 | V | 77.7 | Confident | 73.9 | Confident | 20 Ų | 20 | 56.1 Ų | 56.1 | 12% | 0.121 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -68.7 | -46.9 | 179.6 | 178.7 | 0 | 0 | 0 | 0 | 108.9 | M439 N486 R491 I492 L493 | M439-V489 VanDerWaalsContact CE-CA 3.45Å; M439-V489 HydrophobicContact CE-CB 4.05Å; M439-V489 HydrophobicContact CE-CG2 3.43Å; M439-V489 VanDerWaalsContact CE-CG2 3.43Å; M439-V489 HydrophobicContact SD-CG2 3.87Å; N486-V489 HydrophobicContact CB-CG2 4.19Å; N486-V489 PolarHBondContact O-N 2.94Å; V489-R491 VanDerWaalsContact C-N 3.28Å; V489-R491 PolarHBondContact O-N 2.87Å; V489-I492 PolarHBondContact O-N 3.47Å; V489-I492 VanDerWaalsContact O-N 3.13Å; V489-L493 HydrophobicContact CG1-CD1 3.95Å; V489-L493 HydrophobicContact CG1-CG 4.28Å; V489-L493 WeakPolarHBondContact O-CG 3.33Å; V489-L493 PolarHBondContact O-N 3.31Å |
| 490 | H | 80.9 | Confident | 75.8 | Confident | 60 Ų | 60 | 53.1 Ų | 53.1 | 28% | 0.278 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -55.1 | -43.8 | 173.6 | -177.1 | 80.1 | 0 | 0 | 0 | 111.9 | N486 I492 L493 T494 L578 D581 | N486-H490 PolarHBondContact O-N 3.06Å; N486-H490 VanDerWaalsContact O-N 3.13Å; H490-I492 PolarHBondContact O-N 3.47Å; H490-L493 PolarHBondContact O-N 3.49Å; H490-T494 WeakPolarHBondContact O-CB 3.17Å; H490-T494 VanDerWaalsContact O-CG2 3.29Å; H490-T494 WeakPolarHBondContact O-CG2 3.32Å; H490-T494 PolarHBondContact O-N 3.22Å; H490-T494 PolarHBondContact O-OG1 3.01Å; H490-L578 WeakPolarHBondContact ND1-CD2 3.39Å; H490-D581 IonicContact CE1-OD2 2.6Å; H490-D581 PolarHBondContact CE1-OD2 3.09Å; H490-D581 IonicContact NE2-OD2 3.75Å |
| 491 | R | 84.6 | Confident | 78 | Confident | 92 Ų | 92 | 48.6 Ų | 48.6 | 35% | 0.347 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -61.3 | -43.8 | 175.4 | -174.4 | 178.2 | 68.1 | 83.6 | 0.1 | 112.9 | S487 N488 V489 T494 E495 | S487-R491 VanDerWaalsContact O-CB 3.25Å; S487-R491 WeakPolarHBondContact O-CB 3.36Å; S487-R491 PolarHBondContact O-N 3.22Å; N488-R491 PolarHBondContact O-N 3.44Å; V489-R491 VanDerWaalsContact C-N 3.28Å; V489-R491 PolarHBondContact O-N 2.87Å; R491-T494 VanDerWaalsContact CA-OG1 3.32Å; R491-T494 WeakPolarHBondContact CA-OG1 3.5Å; R491-T494 PolarHBondContact O-OG1 3.48Å; R491-E495 WeakPolarHBondContact CD-OE1 3.48Å; R491-E495 HydrophobicContact CG-CG 4.41Å; R491-E495 WeakPolarHBondContact CG-OE1 3.26Å; R491-E495 IonicContact CZ-OE1 3.04Å; R491-E495 IonicContact NH1-OE1 2.65Å; R491-E495 PolarHBondContact NH1-OE1 2.99Å; R491-E495 IonicContact NH1-OE2 3.04Å; R491-E495 PolarHBondContact NH1-OE2 3.26Å; R491-E495 VanDerWaalsContact O-CB 3.29Å; R491-E495 WeakPolarHBondContact O-CB 3.42Å; R491-E495 VanDerWaalsContact O-CG 3.27Å; R491-E495 WeakPolarHBondContact O-CG 3.4Å; R491-E495 PolarHBondContact O-N 3.19Å |
| 492 | I | 84.6 | Confident | 79.7 | Confident | 2 Ų | 2 | 45 Ų | 45 | 1% | 0.01 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -66.2 | -43.1 | 179.1 | -66.7 | 175 | 0 | 0 | 0 | 110.9 | M439 L442 Q443 N488 V489 H490 E495 F496 | M439-I492 HydrophobicContact CB-CD1 4.31Å; M439-I492 HydrophobicContact CE-CD1 3.51Å; M439-I492 HydrophobicContact CE-CG1 4.36Å; M439-I492 WeakPolarHBondContact O-CD1 3.16Å; M439-I492 HydrophobicContact SD-CD1 4.39Å; L442-I492 HydrophobicContact CB-CD1 3.98Å; L442-I492 HydrophobicContact CB-CG2 4.24Å; Q443-I492 HydrophobicContact CB-CD1 4.43Å; N488-I492 WeakPolarHBondContact O-CG1 3.46Å; N488-I492 PolarHBondContact O-N 3.21Å; V489-I492 PolarHBondContact O-N 3.47Å; V489-I492 VanDerWaalsContact O-N 3.13Å; H490-I492 PolarHBondContact O-N 3.47Å; I492-E495 PolarHBondContact O-N 3.08Å; I492-F496 WeakPolarHBondContact O-CB 3.33Å; I492-F496 PolarHBondContact O-N 2.58Å |
| 493 | L | 86.9 | Confident | 81.3 | Confident | 5 Ų | 5 | 38.6 Ų | 38.6 | 3% | 0.026 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -65.6 | -42.2 | 179.2 | -67.8 | 177.3 | 0 | 0 | 0 | 112 | F469 L484 V489 H490 F496 G497 L574 L578 | F469-L493 HydrophobicContact CD1-CD2 4.09Å; F469-L493 HydrophobicContact CE1-CD2 3.5Å; F469-L493 VanDerWaalsContact CE1-CD2 3.5Å; F469-L493 HydrophobicContact CZ-CD2 4.45Å; L484-L493 HydrophobicContact CD2-CD1 4.42Å; V489-L493 HydrophobicContact CG1-CD1 3.95Å; V489-L493 HydrophobicContact CG1-CG 4.28Å; V489-L493 WeakPolarHBondContact O-CG 3.33Å; V489-L493 PolarHBondContact O-N 3.31Å; H490-L493 PolarHBondContact O-N 3.49Å; L493-F496 PolarHBondContact O-N 3.11Å; L493-G497 PolarHBondContact O-N 3.05Å; L493-L574 HydrophobicContact CB-CD1 4.31Å; L493-L574 HydrophobicContact CD2-CD1 4.11Å; L493-L578 HydrophobicContact CB-CD1 3.81Å; L493-L578 HydrophobicContact CD1-CD1 4.48Å |
| 494 | T | 86.9 | Confident | 82.8 | Confident | 24 Ų | 24 | 37.3 Ų | 37.3 | 15% | 0.147 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -65.3 | -44.7 | 175.1 | 49.4 | 0 | 0 | 0 | 0 | 111.6 | H490 R491 F496 G497 N498 L578 | H490-T494 WeakPolarHBondContact O-CB 3.17Å; H490-T494 VanDerWaalsContact O-CG2 3.29Å; H490-T494 WeakPolarHBondContact O-CG2 3.32Å; H490-T494 PolarHBondContact O-N 3.22Å; H490-T494 PolarHBondContact O-OG1 3.01Å; R491-T494 VanDerWaalsContact CA-OG1 3.32Å; R491-T494 WeakPolarHBondContact CA-OG1 3.5Å; R491-T494 PolarHBondContact O-OG1 3.48Å; T494-F496 PolarHBondContact O-N 2.66Å; T494-G497 PolarHBondContact O-N 2.87Å; T494-N498 WeakPolarHBondContact O-CB 3.46Å; T494-N498 VanDerWaalsContact O-CG 3.23Å; T494-N498 PolarHBondContact O-N 2.86Å; T494-N498 PolarHBondContact O-ND2 3.32Å; T494-L578 HydrophobicContact CG2-CD1 3.89Å |
| 495 | E | 88.5 | Confident | 84.2 | Confident | 60 Ų | 60 | 35.4 Ų | 35.4 | 28% | 0.28 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -63.3 | -39.1 | 174.8 | -74.5 | 176.2 | -157.5 | 0 | 0 | 112.2 | R446 R491 I492 A499 | R446-E495 IonicContact CZ-OE2 3.89Å; R446-E495 IonicContact NH1-OE2 3.53Å; R446-E495 PolarHBondContact NH1-OE2 3.07Å; R446-E495 IonicContact NH2-OE2 3.59Å; R446-E495 PolarHBondContact NH2-OE2 3.09Å; R491-E495 WeakPolarHBondContact CD-OE1 3.48Å; R491-E495 HydrophobicContact CG-CG 4.41Å; R491-E495 WeakPolarHBondContact CG-OE1 3.26Å; R491-E495 IonicContact CZ-OE1 3.04Å; R491-E495 IonicContact NH1-OE1 2.65Å; R491-E495 PolarHBondContact NH1-OE1 2.99Å; R491-E495 IonicContact NH1-OE2 3.04Å; R491-E495 PolarHBondContact NH1-OE2 3.26Å; R491-E495 VanDerWaalsContact O-CB 3.29Å; R491-E495 WeakPolarHBondContact O-CB 3.42Å; R491-E495 VanDerWaalsContact O-CG 3.27Å; R491-E495 WeakPolarHBondContact O-CG 3.4Å; R491-E495 PolarHBondContact O-N 3.19Å; I492-E495 PolarHBondContact O-N 3.08Å; E495-A499 WeakPolarHBondContact O-CB 3.49Å; E495-A499 PolarHBondContact O-N 3.45Å |
| 496 | F | 91.8 | Very high | 85.4 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -63.7 | -49.2 | 174 | 176.1 | -85.6 | 0 | 0 | 0 | 111.3 | R446 F450 I462 W465 F469 I492 L493 T494 N498 A499 L500 L574 | R446-F496 HydrophobicContact CB-CD2 4.45Å; R446-F496 HydrophobicContact CG-CB 4.24Å; R446-F496 HydrophobicContact CG-CD2 3.99Å; F450-F496 AromaticContact CE2-CD2 3.76Å; F450-F496 HydrophobicContact CE2-CD2 3.76Å; F450-F496 AromaticContact CE2-CE2 3.87Å; F450-F496 HydrophobicContact CE2-CE2 3.87Å; F450-F496 HydrophobicContact CE2-CG 4.46Å; F450-F496 HydrophobicContact CZ-CD2 4.07Å; F450-F496 AromaticContact CZ-CE2 3.83Å; F450-F496 HydrophobicContact CZ-CE2 3.83Å; F450-F496 HydrophobicContact CZ-CZ 4.24Å; I462-F496 HydrophobicContact CD1-CZ 4.21Å; W465-F496 HydrophobicContact CB-CE2 4.33Å; W465-F496 HydrophobicContact CB-CZ 3.93Å; W465-F496 AromaticContact CD1-CE2 3.39Å; W465-F496 AromaticContact CD1-CZ 3.79Å; W465-F496 AromaticContact CD2-CD2 3.98Å; W465-F496 HydrophobicContact CD2-CD2 3.98Å; W465-F496 AromaticContact CD2-CE2 3.67Å; W465-F496 HydrophobicContact CD2-CE2 3.67Å; W465-F496 HydrophobicContact CD2-CZ 4.09Å; W465-F496 AromaticContact CE2-CD2 3.71Å; W465-F496 AromaticContact CE2-CE2 3.56Å; W465-F496 HydrophobicContact CE3-CD2 4.48Å; W465-F496 HydrophobicContact CG-CD2 4.35Å; W465-F496 AromaticContact CG-CE2 3.56Å; W465-F496 HydrophobicContact CG-CE2 3.56Å; W465-F496 AromaticContact CG-CZ 3.66Å; W465-F496 HydrophobicContact CG-CZ 3.66Å; W465-F496 HydrophobicContact CH2-CD2 4.49Å; W465-F496 AromaticContact CZ2-CD2 3.99Å; W465-F496 HydrophobicContact CZ2-CD2 3.99Å; W465-F496 HydrophobicContact CZ2-CE2 4.3Å; W465-F496 AromaticContact NE1-CD2 3.95Å; W465-F496 AromaticContact NE1-CE2 3.38Å; F469-F496 HydrophobicContact CE2-CD1 4.14Å; F469-F496 AromaticContact CE2-CE1 3.64Å; F469-F496 HydrophobicContact CE2-CE1 3.64Å; F469-F496 HydrophobicContact CE2-CZ 4.32Å; F469-F496 AromaticContact CZ-CD1 3.64Å; F469-F496 HydrophobicContact CZ-CD1 3.64Å; F469-F496 AromaticContact CZ-CE1 3.54Å; F469-F496 HydrophobicContact CZ-CE1 3.54Å; F469-F496 HydrophobicContact CZ-CG 4.36Å; F469-F496 HydrophobicContact CZ-CZ 4.2Å; I492-F496 WeakPolarHBondContact O-CB 3.33Å; I492-F496 PolarHBondContact O-N 2.58Å; L493-F496 PolarHBondContact O-N 3.11Å; T494-F496 PolarHBondContact O-N 2.66Å; F496-N498 VanDerWaalsContact C-N 3.32Å; F496-N498 PolarHBondContact O-N 2.8Å; F496-A499 PolarHBondContact O-N 3.22Å; F496-L500 HydrophobicContact CE1-CB 4.28Å; F496-L500 HydrophobicContact CE1-CD1 3.65Å; F496-L500 HydrophobicContact CZ-CD1 3.8Å; F496-L500 WeakPolarHBondContact O-CB 3.32Å; F496-L500 PolarHBondContact O-N 3.19Å; F496-L574 HydrophobicContact CD1-CD1 4.19Å; F496-L574 HydrophobicContact CD1-CD2 4.48Å |
| 497 | G | 89.8 | Confident | 86.2 | Confident | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -62.7 | -39 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113 | L493 T494 L500 F501 | L493-G497 PolarHBondContact O-N 3.05Å; T494-G497 PolarHBondContact O-N 2.87Å; G497-L500 PolarHBondContact O-N 2.75Å; G497-F501 WeakPolarHBondContact O-CB 3.43Å; G497-F501 PolarHBondContact O-N 3.16Å |
| 498 | N | 90.7 | Very high | 86.8 | Confident | 71 Ų | 71 | 32.2 Ų | 32.2 | 38% | 0.38 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -62.3 | -47.2 | 173 | -73.2 | -25.4 | 0 | 0 | 0 | 111.1 | T494 F496 L500 F501 S502 L585 | T494-N498 WeakPolarHBondContact O-CB 3.46Å; T494-N498 VanDerWaalsContact O-CG 3.23Å; T494-N498 PolarHBondContact O-N 2.86Å; T494-N498 PolarHBondContact O-ND2 3.32Å; F496-N498 VanDerWaalsContact C-N 3.32Å; F496-N498 PolarHBondContact O-N 2.8Å; N498-L500 PolarHBondContact O-N 3.18Å; N498-F501 PolarHBondContact O-N 2.8Å; N498-S502 VanDerWaalsContact O-CB 3.22Å; N498-S502 WeakPolarHBondContact O-CB 3.49Å; N498-S502 PolarHBondContact O-N 2.97Å; N498-S502 PolarHBondContact O-OG 3.41Å; N498-S502 VanDerWaalsContact O-OG 3.04Å; N498-L585 VanDerWaalsContact OD1-CD2 3.31Å; N498-L585 WeakPolarHBondContact OD1-CD2 3.32Å |
| 499 | A | 90.5 | Very high | 87.2 | Confident | 31 Ų | 31 | 29.6 Ų | 29.6 | 26% | 0.256 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -63.1 | -41.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | F450 E495 F496 S502 R503 | F450-A499 HydrophobicContact CD1-CB 4.37Å; F450-A499 HydrophobicContact CD2-CB 3.63Å; F450-A499 HydrophobicContact CE1-CB 4.2Å; F450-A499 HydrophobicContact CE2-CB 3.43Å; F450-A499 VanDerWaalsContact CE2-CB 3.43Å; F450-A499 HydrophobicContact CG-CB 4.13Å; F450-A499 HydrophobicContact CZ-CB 3.74Å; E495-A499 WeakPolarHBondContact O-CB 3.49Å; E495-A499 PolarHBondContact O-N 3.45Å; F496-A499 PolarHBondContact O-N 3.22Å; A499-S502 WeakPolarHBondContact O-CB 3.02Å; A499-R503 WeakPolarHBondContact O-CB 3.32Å; A499-R503 PolarHBondContact O-N 2.83Å |
| 500 | L | 90.7 | Very high | 87.4 | Confident | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.005 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -65 | -48 | 175.9 | -169.5 | 150.4 | 0 | 0 | 0 | 111 | F450 I462 F496 G497 N498 S502 R503 L504 T570 F571 | F450-L500 HydrophobicContact CE1-CB 4.1Å; F450-L500 HydrophobicContact CZ-CB 3.84Å; I462-L500 HydrophobicContact CD1-CD1 3.91Å; F496-L500 HydrophobicContact CE1-CB 4.28Å; F496-L500 HydrophobicContact CE1-CD1 3.65Å; F496-L500 HydrophobicContact CZ-CD1 3.8Å; F496-L500 WeakPolarHBondContact O-CB 3.32Å; F496-L500 PolarHBondContact O-N 3.19Å; G497-L500 PolarHBondContact O-N 2.75Å; N498-L500 PolarHBondContact O-N 3.18Å; L500-S502 VanDerWaalsContact C-N 3.31Å; L500-S502 PolarHBondContact O-N 2.94Å; L500-R503 WeakPolarHBondContact O-CB 3.12Å; L500-R503 PolarHBondContact O-N 3.1Å; L500-R503 VanDerWaalsContact O-N 3.11Å; L500-L504 HydrophobicContact CD2-CD1 4.38Å; L500-L504 PolarHBondContact O-N 3.39Å; L500-T570 WeakPolarHBondContact CD1-OG1 3.2Å; L500-F571 HydrophobicContact CD2-CB 3.7Å; L500-F571 HydrophobicContact CD2-CD2 3.88Å; L500-F571 HydrophobicContact CD2-CG 4.06Å |
| 501 | F | 90.4 | Very high | 87.3 | Confident | 9 Ų | 9 | 31.2 Ų | 31.2 | 4% | 0.039 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -60.5 | -42.9 | 178.5 | -171.8 | -115.9 | 0 | 0 | 0 | 111.1 | G497 N498 R503 L504 F505 F571 L585 R589 I632 V635 | G497-F501 WeakPolarHBondContact O-CB 3.43Å; G497-F501 PolarHBondContact O-N 3.16Å; N498-F501 PolarHBondContact O-N 2.8Å; F501-R503 VanDerWaalsContact C-N 3.33Å; F501-R503 PolarHBondContact O-N 2.67Å; F501-L504 HydrophobicContact CD2-CD1 4.47Å; F501-L504 WeakPolarHBondContact O-CB 3.24Å; F501-L504 PolarHBondContact O-N 3.1Å; F501-F505 AromaticContact CD1-CE2 3.99Å; F501-F505 HydrophobicContact CD1-CE2 3.99Å; F501-F505 HydrophobicContact CD2-CE2 4.11Å; F501-F505 AromaticContact CE1-CE2 3.79Å; F501-F505 HydrophobicContact CE1-CE2 3.79Å; F501-F505 HydrophobicContact CE1-CZ 4.35Å; F501-F505 AromaticContact CE2-CE2 3.9Å; F501-F505 HydrophobicContact CE2-CE2 3.9Å; F501-F505 AromaticContact CE2-CZ 3.96Å; F501-F505 HydrophobicContact CE2-CZ 3.96Å; F501-F505 HydrophobicContact CG-CE2 4.14Å; F501-F505 AromaticContact CZ-CE2 3.74Å; F501-F505 HydrophobicContact CZ-CE2 3.74Å; F501-F505 AromaticContact CZ-CZ 3.87Å; F501-F505 HydrophobicContact CZ-CZ 3.87Å; F501-F505 WeakPolarHBondContact O-CD2 3.41Å; F501-F505 WeakPolarHBondContact O-CE2 3.49Å; F501-F571 HydrophobicContact CB-CE2 4.07Å; F501-F571 HydrophobicContact CB-CZ 4.32Å; F501-F571 HydrophobicContact CD2-CE1 4.05Å; F501-F571 HydrophobicContact CD2-CE2 4.27Å; F501-F571 AromaticContact CD2-CZ 3.74Å; F501-F571 HydrophobicContact CD2-CZ 3.74Å; F501-F571 HydrophobicContact CE2-CE1 4.46Å; F501-F571 HydrophobicContact CE2-CZ 4.4Å; F501-F571 HydrophobicContact CG-CE2 4.49Å; F501-F571 HydrophobicContact CG-CZ 4.25Å; F501-L585 HydrophobicContact CD1-CD2 3.85Å; F501-L585 HydrophobicContact CD1-CG 4.37Å; F501-L585 HydrophobicContact CE1-CD2 4.19Å; F501-L585 HydrophobicContact CE1-CG 4.22Å; F501-R589 HydrophobicContact CE1-CB 3.78Å; F501-R589 HydrophobicContact CE1-CG 3.75Å; F501-R589 HydrophobicContact CZ-CB 3.94Å; F501-R589 HydrophobicContact CZ-CG 4Å; F501-I632 HydrophobicContact CE2-CD1 4.16Å; F501-I632 HydrophobicContact CZ-CD1 3.8Å; F501-V635 HydrophobicContact CE2-CG1 4.23Å |
| 502 | S | 89.5 | Confident | 87.2 | Confident | 39 Ų | 39 | 27.3 Ų | 27.3 | 27% | 0.273 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -58.3 | -40.3 | 172.3 | -76.5 | 0 | 0 | 0 | 0 | 113.5 | N498 A499 L500 L504 F505 E508 | N498-S502 VanDerWaalsContact O-CB 3.22Å; N498-S502 WeakPolarHBondContact O-CB 3.49Å; N498-S502 PolarHBondContact O-N 2.97Å; N498-S502 PolarHBondContact O-OG 3.41Å; N498-S502 VanDerWaalsContact O-OG 3.04Å; A499-S502 WeakPolarHBondContact O-CB 3.02Å; L500-S502 VanDerWaalsContact C-N 3.31Å; L500-S502 PolarHBondContact O-N 2.94Å; S502-L504 PolarHBondContact O-N 3.47Å; S502-F505 PolarHBondContact O-N 3.22Å; S502-F505 VanDerWaalsContact O-N 3.15Å; S502-E508 WeakPolarHBondContact CA-OE2 3.38Å; S502-E508 WeakPolarHBondContact CB-OE2 3.42Å; S502-E508 PolarHBondContact OG-OE2 3.22Å |
| 503 | R | 89.7 | Confident | 87.1 | Confident | 47 Ų | 47 | 27.3 Ų | 27.3 | 18% | 0.177 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -66.9 | -15 | 179.6 | -159.6 | 67.2 | 168.7 | -167.7 | -12.5 | 113.5 | A499 L500 F501 F505 S509 Y512 F563 | A499-R503 WeakPolarHBondContact O-CB 3.32Å; A499-R503 PolarHBondContact O-N 2.83Å; L500-R503 WeakPolarHBondContact O-CB 3.12Å; L500-R503 PolarHBondContact O-N 3.1Å; L500-R503 VanDerWaalsContact O-N 3.11Å; F501-R503 VanDerWaalsContact C-N 3.33Å; F501-R503 PolarHBondContact O-N 2.67Å; R503-F505 VanDerWaalsContact C-N 3.28Å; R503-S509 PolarHBondContact O-OG 3.27Å; R503-Y512 HydrophobicContact CG-CD1 4.41Å; R503-Y512 VanDerWaalsContact NH2-CB 3.3Å; R503-F563 HydrophobicContact CG-CE2 4.32Å; R503-F563 HydrophobicContact CG-CZ 4.06Å |
| 504 | L | 89 | Confident | 86.7 | Confident | 5 Ų | 5 | 30.3 Ų | 30.3 | 3% | 0.026 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | -9.9 | 175.4 | -62.5 | 173.8 | 0 | 0 | 0 | 113.2 | L500 F501 S502 F563 L568 S631 V635 | L500-L504 HydrophobicContact CD2-CD1 4.38Å; L500-L504 PolarHBondContact O-N 3.39Å; F501-L504 HydrophobicContact CD2-CD1 4.47Å; F501-L504 WeakPolarHBondContact O-CB 3.24Å; F501-L504 PolarHBondContact O-N 3.1Å; S502-L504 PolarHBondContact O-N 3.47Å; L504-F563 HydrophobicContact CD2-CE1 4.14Å; L504-F563 HydrophobicContact CD2-CZ 4.28Å; L504-L568 HydrophobicContact CD1-CD2 4.02Å; L504-S631 PolarHBondContact O-OG 3.29Å; L504-V635 HydrophobicContact CD1-CG2 3.9Å |
| 505 | F | 90.7 | Very high | 86.2 | Confident | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 20% | 0.198 | C | C | . | . | trans | -114.3 | 132.9 | -175.3 | -57.6 | -66.5 | 0 | 0 | 0 | 111.6 | F501 S502 R503 S507 E508 S509 R589 I593 D628 S631 I632 | F501-F505 AromaticContact CD1-CE2 3.99Å; F501-F505 HydrophobicContact CD1-CE2 3.99Å; F501-F505 HydrophobicContact CD2-CE2 4.11Å; F501-F505 AromaticContact CE1-CE2 3.79Å; F501-F505 HydrophobicContact CE1-CE2 3.79Å; F501-F505 HydrophobicContact CE1-CZ 4.35Å; F501-F505 AromaticContact CE2-CE2 3.9Å; F501-F505 HydrophobicContact CE2-CE2 3.9Å; F501-F505 AromaticContact CE2-CZ 3.96Å; F501-F505 HydrophobicContact CE2-CZ 3.96Å; F501-F505 HydrophobicContact CG-CE2 4.14Å; F501-F505 AromaticContact CZ-CE2 3.74Å; F501-F505 HydrophobicContact CZ-CE2 3.74Å; F501-F505 AromaticContact CZ-CZ 3.87Å; F501-F505 HydrophobicContact CZ-CZ 3.87Å; F501-F505 WeakPolarHBondContact O-CD2 3.41Å; F501-F505 WeakPolarHBondContact O-CE2 3.49Å; S502-F505 PolarHBondContact O-N 3.22Å; S502-F505 VanDerWaalsContact O-N 3.15Å; R503-F505 VanDerWaalsContact C-N 3.28Å; F505-S507 VanDerWaalsContact C-N 3.31Å; F505-S507 PolarHBondContact O-N 3.46Å; F505-E508 PolarHBondContact O-N 3.08Å; F505-S509 PolarHBondContact O-N 3.38Å; F505-S509 PolarHBondContact O-OG 3.49Å; F505-R589 HydrophobicContact CE2-CG 4.37Å; F505-R589 HydrophobicContact CZ-CG 4.42Å; F505-I593 HydrophobicContact CD1-CD1 3.99Å; F505-I593 HydrophobicContact CE1-CD1 3.78Å; F505-I593 HydrophobicContact CZ-CD1 4.33Å; F505-D628 VanDerWaalsContact CA-OD1 3.32Å; F505-D628 WeakPolarHBondContact CA-OD1 3.32Å; F505-D628 HydrophobicContact CD1-CB 4.02Å; F505-S631 VanDerWaalsContact CD1-OG 3.26Å; F505-S631 WeakPolarHBondContact CD1-OG 3.14Å; F505-S631 VanDerWaalsContact CE1-OG 3.32Å; F505-S631 WeakPolarHBondContact CE1-OG 3.5Å; F505-I632 HydrophobicContact CE1-CB 3.78Å; F505-I632 HydrophobicContact CE1-CD1 4.22Å; F505-I632 HydrophobicContact CZ-CB 4.17Å; F505-I632 HydrophobicContact CZ-CD1 3.7Å; F505-I632 HydrophobicContact CZ-CG1 4.46Å | ||
| 506 | Y | 85 | Confident | 85.5 | Confident | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -64.3 | -33.2 | 174.3 | -79.6 | -102.2 | 0 | 0 | 0 | 112.6 | E508 S509 S510 L513 D514 D517 Y560 W624 R627 D628 | Y506-E508 PolarHBondContact O-N 3.49Å; Y506-E508 VanDerWaalsContact O-N 3.08Å; Y506-S509 PolarHBondContact O-N 3.28Å; Y506-S510 WeakPolarHBondContact O-CB 3.49Å; Y506-S510 PolarHBondContact O-N 3.21Å; Y506-S510 VanDerWaalsContact O-N 3.09Å; Y506-L513 HydrophobicContact CD1-CB 4.03Å; Y506-L513 HydrophobicContact CD1-CD1 4.41Å; Y506-L513 HydrophobicContact CD2-CB 4.39Å; Y506-L513 HydrophobicContact CD2-CD1 3.55Å; Y506-L513 HydrophobicContact CE1-CB 3.62Å; Y506-L513 HydrophobicContact CE2-CB 3.98Å; Y506-L513 HydrophobicContact CE2-CD1 3.67Å; Y506-L513 HydrophobicContact CE2-CG 4.43Å; Y506-L513 HydrophobicContact CG-CB 4.4Å; Y506-L513 HydrophobicContact CG-CD1 3.94Å; Y506-D514 WeakPolarHBondContact CE1-OD1 3.2Å; Y506-D517 PolarHBondContact OH-OD1 3.4Å; Y506-D517 PolarHBondContact OH-OD2 3.31Å; Y506-Y560 HydrophobicContact CE2-CE2 4.26Å; Y506-W624 AromaticContact CD1-CD1 3.81Å; Y506-R627 HydrophobicContact CD2-CB 3.44Å; Y506-R627 VanDerWaalsContact CD2-CB 3.44Å; Y506-R627 HydrophobicContact CD2-CG 4.08Å; Y506-R627 HydrophobicContact CE2-CB 3.66Å; Y506-R627 HydrophobicContact CE2-CG 3.89Å; Y506-R627 HydrophobicContact CG-CB 4.11Å; Y506-D628 WeakPolarHBondContact CB-OD1 3.22Å; Y506-D628 PolarHBondContact N-OD1 3.44Å |
| 507 | S | 84.1 | Confident | 84.3 | Confident | 56 Ų | 56 | 31.6 Ų | 31.6 | 39% | 0.392 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -55.2 | -26.2 | 174.8 | 46.3 | 0 | 0 | 0 | 0 | 113.3 | F505 R589 D628 | F505-S507 VanDerWaalsContact C-N 3.31Å; F505-S507 PolarHBondContact O-N 3.46Å; S507-R589 PolarHBondContact OG-NH2 2.88Å; S507-D628 WeakPolarHBondContact CB-OD2 3.33Å; S507-D628 PolarHBondContact N-OD2 2.96Å; S507-D628 VanDerWaalsContact N-OD2 3.11Å; S507-D628 PolarHBondContact OG-OD2 3.43Å |
| 508 | E | 83.9 | Confident | 82.8 | Confident | 92 Ų | 92 | 40.9 Ų | 40.9 | 43% | 0.43 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -114.1 | -24.2 | -175.8 | -66 | 177.2 | -170.4 | 0 | 0 | 112.9 | S502 F505 Y506 R589 | S502-E508 WeakPolarHBondContact CA-OE2 3.38Å; S502-E508 WeakPolarHBondContact CB-OE2 3.42Å; S502-E508 PolarHBondContact OG-OE2 3.22Å; F505-E508 PolarHBondContact O-N 3.08Å; Y506-E508 PolarHBondContact O-N 3.49Å; Y506-E508 VanDerWaalsContact O-N 3.08Å; E508-R589 IonicContact OE1-CZ 3.73Å; E508-R589 IonicContact OE1-NH1 2.73Å; E508-R589 PolarHBondContact OE1-NH1 3.03Å; E508-R589 IonicContact OE1-NH2 3.99Å; E508-R589 PolarHBondContact OE1-NH2 2.91Å |
| 509 | S | 85 | Confident | 81.1 | Confident | 8 Ų | 8 | 41 Ų | 41 | 6% | 0.056 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -136.9 | 30 | -172.4 | 64.3 | 0 | 0 | 0 | 0 | 115.7 | R503 F505 Y506 A511 Y512 L513 | R503-S509 PolarHBondContact O-OG 3.27Å; F505-S509 PolarHBondContact O-N 3.38Å; F505-S509 PolarHBondContact O-OG 3.49Å; Y506-S509 PolarHBondContact O-N 3.28Å; S509-A511 VanDerWaalsContact C-N 3.3Å; S509-A511 PolarHBondContact O-N 2.95Å; S509-Y512 PolarHBondContact O-N 3.46Å; S509-L513 PolarHBondContact O-N 3.48Å; S509-L513 WeakPolarHBondContact OG-CD1 3.33Å |
| 510 | S | 82.6 | Confident | 79.6 | Confident | 29 Ų | 29 | 40 Ų | 40 | 20% | 0.203 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -48.3 | -45.7 | 179.3 | 53.1 | 0 | 0 | 0 | 0 | 114.1 | Y506 Y512 L513 D514 | Y506-S510 WeakPolarHBondContact O-CB 3.49Å; Y506-S510 PolarHBondContact O-N 3.21Å; Y506-S510 VanDerWaalsContact O-N 3.09Å; S510-Y512 PolarHBondContact O-N 3.11Å; S510-L513 PolarHBondContact O-N 3.1Å; S510-D514 VanDerWaalsContact O-CB 3.22Å; S510-D514 WeakPolarHBondContact O-CB 3.48Å; S510-D514 PolarHBondContact O-N 3.3Å |
| 511 | A | 79.4 | Confident | 77.9 | Confident | 84 Ų | 84 | 42.4 Ų | 42.4 | 69% | 0.694 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -57.3 | -28.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | S509 | S509-A511 VanDerWaalsContact C-N 3.3Å; S509-A511 PolarHBondContact O-N 2.95Å |
| 512 | Y | 81 | Confident | 76.1 | Confident | 11 Ų | 11 | 49 Ų | 49 | 4% | 0.043 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -94.4 | -39.6 | 177.7 | 179.5 | -102.4 | 0 | 0 | 0 | 112.4 | Y458 R503 S509 S510 D514 T515 L516 F563 | Y458-Y512 WeakPolarHBondContact CD1-OH 3.43Å; R503-Y512 HydrophobicContact CG-CD1 4.41Å; R503-Y512 VanDerWaalsContact NH2-CB 3.3Å; S509-Y512 PolarHBondContact O-N 3.46Å; S510-Y512 PolarHBondContact O-N 3.11Å; Y512-D514 VanDerWaalsContact C-N 3.33Å; Y512-D514 PolarHBondContact O-N 3.45Å; Y512-T515 PolarHBondContact O-N 3.42Å; Y512-T515 PolarHBondContact O-OG1 3.38Å; Y512-L516 HydrophobicContact CD1-CD1 4.19Å; Y512-L516 HydrophobicContact CE1-CD1 3.69Å; Y512-F563 AromaticContact CE1-CD2 3.96Å; Y512-F563 HydrophobicContact CE1-CD2 3.96Å; Y512-F563 AromaticContact CE1-CE2 3.7Å; Y512-F563 HydrophobicContact CE1-CE2 3.7Å; Y512-F563 HydrophobicContact CE1-CZ 4.27Å |
| 513 | L | 83.1 | Confident | 74.1 | Confident | 1 Ų | 1 | 50.1 Ų | 50.1 | 1% | 0.005 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -70.5 | -32.8 | -179.9 | -63.8 | 178.5 | 0 | 0 | 0 | 111.9 | Y506 S509 S510 T515 L516 D517 Y560 F563 | Y506-L513 HydrophobicContact CD1-CB 4.03Å; Y506-L513 HydrophobicContact CD1-CD1 4.41Å; Y506-L513 HydrophobicContact CD2-CB 4.39Å; Y506-L513 HydrophobicContact CD2-CD1 3.55Å; Y506-L513 HydrophobicContact CE1-CB 3.62Å; Y506-L513 HydrophobicContact CE2-CB 3.98Å; Y506-L513 HydrophobicContact CE2-CD1 3.67Å; Y506-L513 HydrophobicContact CE2-CG 4.43Å; Y506-L513 HydrophobicContact CG-CB 4.4Å; Y506-L513 HydrophobicContact CG-CD1 3.94Å; S509-L513 PolarHBondContact O-N 3.48Å; S509-L513 WeakPolarHBondContact OG-CD1 3.33Å; S510-L513 PolarHBondContact O-N 3.1Å; L513-T515 PolarHBondContact O-N 3.5Å; L513-L516 HydrophobicContact CD2-CD1 4.34Å; L513-L516 PolarHBondContact O-N 2.63Å; L513-L516 VanDerWaalsContact O-N 3.08Å; L513-D517 PolarHBondContact O-N 3.15Å; L513-Y560 HydrophobicContact CD2-CE2 4.36Å; L513-F563 HydrophobicContact CD2-CD1 4.06Å; L513-F563 HydrophobicContact CD2-CE1 3.47Å; L513-F563 VanDerWaalsContact CD2-CE1 3.47Å; L513-F563 HydrophobicContact CD2-CZ 3.96Å |
| 514 | D | 78.6 | Confident | 72.2 | Confident | 69 Ų | 69 | 51 Ų | 51 | 37% | 0.369 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -63.7 | -24.9 | 176.2 | -69.9 | -19.8 | 0 | 0 | 0 | 112.3 | Y506 S510 Y512 | Y506-D514 WeakPolarHBondContact CE1-OD1 3.2Å; S510-D514 VanDerWaalsContact O-CB 3.22Å; S510-D514 WeakPolarHBondContact O-CB 3.48Å; S510-D514 PolarHBondContact O-N 3.3Å; Y512-D514 VanDerWaalsContact C-N 3.33Å; Y512-D514 PolarHBondContact O-N 3.45Å |
| 515 | T | 75.9 | Confident | 70 | Confident | 87 Ų | 87 | 54.3 Ų | 54.3 | 53% | 0.534 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -76.5 | -26.6 | 174.9 | 57.7 | 0 | 0 | 0 | 0 | 112.7 | Y512 L513 | Y512-T515 PolarHBondContact O-N 3.42Å; Y512-T515 PolarHBondContact O-OG1 3.38Å; L513-T515 PolarHBondContact O-N 3.5Å |
| 516 | L | 74.8 | Confident | 67.8 | Low | 5 Ų | 5 | 59.3 Ų | 59.3 | 3% | 0.026 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -87.5 | -21 | -179.3 | -59.2 | 174.6 | 0 | 0 | 0 | 113.1 | F455 Y512 L513 Y518 E559 Y560 F563 | F455-L516 HydrophobicContact CB-CD2 4.46Å; F455-L516 HydrophobicContact CD2-CD2 3.84Å; F455-L516 HydrophobicContact CE2-CD2 4.4Å; F455-L516 HydrophobicContact CG-CD2 4.17Å; Y512-L516 HydrophobicContact CD1-CD1 4.19Å; Y512-L516 HydrophobicContact CE1-CD1 3.69Å; L513-L516 HydrophobicContact CD2-CD1 4.34Å; L513-L516 PolarHBondContact O-N 2.63Å; L513-L516 VanDerWaalsContact O-N 3.08Å; L516-Y518 VanDerWaalsContact C-N 3.33Å; L516-Y518 PolarHBondContact O-N 3.49Å; L516-E559 HydrophobicContact CD2-CB 3.77Å; L516-Y560 HydrophobicContact CB-CD2 4.23Å; L516-F563 HydrophobicContact CD1-CB 3.87Å; L516-F563 HydrophobicContact CD1-CD1 4.05Å; L516-F563 HydrophobicContact CD1-CD2 4.14Å; L516-F563 HydrophobicContact CD1-CG 3.73Å |
| 517 | D | 65.6 | Low | 65.9 | Low | 19 Ų | 19 | 66.2 Ų | 66.2 | 10% | 0.102 | 34% | 0.338 | C | S | . | . | G | 310 helix | trans | -79.1 | -6.7 | -164.2 | -129 | 18.7 | 0 | 0 | 0 | 115.1 | Y506 L513 D519 I520 R627 | Y506-D517 PolarHBondContact OH-OD1 3.4Å; Y506-D517 PolarHBondContact OH-OD2 3.31Å; L513-D517 PolarHBondContact O-N 3.15Å; D517-D519 PolarHBondContact O-N 3.02Å; D517-D519 VanDerWaalsContact O-N 3.13Å; D517-I520 WeakPolarHBondContact OD1-CD1 3.03Å; D517-R627 IonicContact OD1-CZ 2.93Å; D517-R627 IonicContact OD1-NH2 3.94Å; D517-R627 PolarHBondContact OD1-NH2 3.46Å; D517-R627 IonicContact OD2-CZ 3.17Å; D517-R627 IonicContact OD2-NE 2.94Å; D517-R627 IonicContact OD2-NH2 2.65Å; D517-R627 PolarHBondContact OD2-NH2 3.29Å |
| 518 | Y | 57.9 | Low | 63.9 | Low | 194 Ų | 194 | 64.2 Ų | 64.2 | 76% | 0.761 | 32% | 0.323 | S | S | * | . | G | 310 helix | trans | -63 | -22.3 | -170.5 | -86.7 | -85 | 0 | 0 | 0 | 114.5 | L516 | L516-Y518 VanDerWaalsContact C-N 3.33Å; L516-Y518 PolarHBondContact O-N 3.49Å |
| 519 | D | 56.4 | Low | 61.8 | Low | 74 Ų | 74 | 62.6 Ų | 62.6 | 40% | 0.396 | 32% | 0.322 | S | S | . | . | G | 310 helix | trans | -109 | -8.2 | -166.1 | -68.6 | -24.6 | 0 | 0 | 0 | 116.5 | D517 F521 C558 | D517-D519 PolarHBondContact O-N 3.02Å; D517-D519 VanDerWaalsContact O-N 3.13Å; D519-F521 VanDerWaalsContact C-N 3.31Å; D519-F521 PolarHBondContact O-N 3Å; D519-C558 HydrophobicContact CB-CB 3.5Å |
| 520 | I | 57.4 | Low | 59.8 | Low | 10 Ų | 10 | 65.7 Ų | 65.7 | 5% | 0.051 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -65 | -36.6 | -172 | -57.2 | 173.6 | 0 | 0 | 0 | 111.6 | D517 Y560 | D517-I520 WeakPolarHBondContact OD1-CD1 3.03Å; I520-Y560 HydrophobicContact CD1-CD1 3.24Å; I520-Y560 HydrophobicContact CD1-CD2 4.41Å; I520-Y560 HydrophobicContact CD1-CE1 3.69Å; I520-Y560 HydrophobicContact CD1-CG 3.63Å; I520-Y560 HydrophobicContact CG1-CD1 4.14Å; I520-Y560 HydrophobicContact CG1-CG 4.39Å |
| 521 | F | 55 | Low | 57.7 | Low | 51 Ų | 51 | 68 Ų | 68 | 22% | 0.224 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -88.1 | -25.2 | -169.1 | -60.6 | -62.5 | 0 | 0 | 0 | 114.9 | D519 M525 L683 | D519-F521 VanDerWaalsContact C-N 3.31Å; D519-F521 PolarHBondContact O-N 3Å; F521-M525 WeakPolarHBondContact O-CG 3.49Å; F521-L683 HydrophobicContact CD1-CB 4.25Å; F521-L683 HydrophobicContact CD1-CD1 3.74Å; F521-L683 HydrophobicContact CD1-CD2 3.93Å; F521-L683 HydrophobicContact CD1-CG 4.19Å; F521-L683 HydrophobicContact CD2-CD1 4.03Å; F521-L683 HydrophobicContact CE1-CB 3.58Å; F521-L683 HydrophobicContact CE1-CD1 3.87Å; F521-L683 HydrophobicContact CE1-CD2 4.03Å; F521-L683 HydrophobicContact CE1-CG 4.02Å; F521-L683 HydrophobicContact CE2-CD1 4.13Å; F521-L683 HydrophobicContact CG-CD1 3.82Å; F521-L683 HydrophobicContact CZ-CB 3.72Å; F521-L683 HydrophobicContact CZ-CD1 4.05Å; F521-L683 HydrophobicContact CZ-CG 4.41Å |
| 522 | E | 53.4 | Low | 55.8 | Low | 147 Ų | 147 | 68.8 Ų | 68.8 | 69% | 0.687 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -83.7 | -41.4 | 178.9 | -63.3 | -150 | 155.5 | 0 | 0 | 111.6 | E524 | E522-E524 PolarHBondContact O-N 3.18Å |
| 523 | N | 48.4 | Very low | 53.7 | Low | 63 Ų | 63 | 75 Ų | 75 | 34% | 0.337 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -70.9 | -31.5 | -174.6 | -71 | -19.1 | 0 | 0 | 0 | 113.3 | ||
| 524 | E | 48 | Very low | 51.6 | Low | 66 Ų | 66 | 79.7 Ų | 79.7 | 31% | 0.308 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | -17.6 | -178.6 | -79 | -166.5 | -177.1 | 0 | 0 | 115.1 | E522 L526 Y527 R764 | E522-E524 PolarHBondContact O-N 3.18Å; E524-L526 PolarHBondContact O-N 2.89Å; E524-L526 VanDerWaalsContact O-N 3.07Å; E524-Y527 HydrophobicContact CG-CD2 4.39Å; E524-Y527 PolarHBondContact O-N 3.48Å; E524-R764 IonicContact OE1-NH2 2.71Å; E524-R764 PolarHBondContact OE1-NH2 3.06Å; E524-R764 IonicContact OE2-CZ 3.47Å; E524-R764 IonicContact OE2-NE 3.03Å; E524-R764 PolarHBondContact OE2-NE 3.49Å; E524-R764 IonicContact OE2-NH2 2.79Å; E524-R764 PolarHBondContact OE2-NH2 2.94Å |
| 525 | M | 44.8 | Very low | 49.8 | Very low | 74 Ų | 74 | 85 Ų | 85 | 37% | 0.365 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -56.4 | -27.3 | 176.9 | -73.2 | -76.1 | 105 | 0 | 0 | 112.3 | F521 S529 L760 | F521-M525 WeakPolarHBondContact O-CG 3.49Å; M525-S529 PolarHBondContact O-N 2.74Å; M525-S529 PolarHBondContact O-OG 3.45Å; M525-L760 HydrophobicContact CE-CB 4.26Å; M525-L760 HydrophobicContact SD-CB 4.23Å; M525-L760 HydrophobicContact SD-CD1 3.79Å; M525-L760 HydrophobicContact SD-CD2 4.39Å; M525-L760 HydrophobicContact SD-CG 4.37Å |
| 526 | L | 43.8 | Very low | 48.4 | Very low | 106 Ų | 106 | 85.7 Ų | 85.7 | 56% | 0.555 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -73.9 | -27.3 | 179.4 | -69.9 | 165.8 | 0 | 0 | 0 | 113.6 | E524 M528 | E524-L526 PolarHBondContact O-N 2.89Å; E524-L526 VanDerWaalsContact O-N 3.07Å; L526-M528 VanDerWaalsContact C-N 3.3Å; L526-M528 PolarHBondContact O-N 2.71Å |
| 527 | Y | 45.3 | Very low | 47.2 | Very low | 144 Ų | 144 | 85.8 Ų | 85.8 | 57% | 0.565 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -74.9 | -23.1 | 178.1 | -70.6 | -72.2 | 0 | 0 | 0 | 112.9 | E524 | E524-Y527 HydrophobicContact CG-CD2 4.39Å; E524-Y527 PolarHBondContact O-N 3.48Å |
| 528 | M | 42.3 | Very low | 46.4 | Very low | 15 Ų | 15 | 86.1 Ų | 86.1 | 7% | 0.074 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -101.9 | -29.3 | -170.3 | -63 | -59 | -62.1 | 0 | 0 | 113.2 | L526 S763 Y767 N819 | L526-M528 VanDerWaalsContact C-N 3.3Å; L526-M528 PolarHBondContact O-N 2.71Å; M528-S763 WeakPolarHBondContact CE-O 3.5Å; M528-S763 WeakPolarHBondContact CE-OG 3.47Å; M528-Y767 HydrophobicContact CE-CD1 4.35Å; M528-Y767 HydrophobicContact CE-CG 4.12Å; M528-Y767 HydrophobicContact SD-CD1 3.9Å; M528-Y767 HydrophobicContact SD-CE1 4.49Å; M528-Y767 HydrophobicContact SD-CG 4.21Å; M528-N819 PolarHBondContact O-ND2 2.96Å |
| 529 | S | 38.8 | Very low | 46 | Very low | 58 Ų | 58 | 78.1 Ų | 78.1 | 41% | 0.406 | 40% | 0.398 | S | S | . | . | trans | -104.2 | 102.9 | -178.5 | 59.9 | 0 | 0 | 0 | 0 | 111.3 | M525 | M525-S529 PolarHBondContact O-N 2.74Å; M525-S529 PolarHBondContact O-OG 3.45Å | ||
| 530 | Y | 42.4 | Very low | 45.6 | Very low | 73 Ų | 73 | 75.1 Ų | 75.1 | 29% | 0.286 | 38% | 0.383 | S | S | . | . | trans | -69.4 | 127.5 | 155.9 | -79.1 | -79.1 | 0 | 0 | 0 | 106.9 | T532 | Y530-T532 PolarHBondContact O-N 3.18Š| ||
| 531 | P | 38.6 | Very low | 45.4 | Very low | 77 Ų | 77 | 75.5 Ų | 75.5 | 50% | 0.5 | 39% | 0.385 | S | S | . | . | trans | -59.5 | 106.1 | 171.8 | 23.2 | -29.9 | 0 | 0 | 0 | 107.4 | N533 S537 | P531-N533 PolarHBondContact O-N 2.87Å; P531-N533 VanDerWaalsContact O-N 3.15Å; P531-S537 WeakPolarHBondContact O-CB 3.29Å | ||
| 532 | T | 39.5 | Very low | 45.2 | Very low | 100 Ų | 100 | 74.1 Ų | 74.1 | 61% | 0.613 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | -16.1 | -176.7 | 46.9 | 0 | 0 | 0 | 0 | 112.1 | Y530 K887 | Y530-T532 PolarHBondContact O-N 3.18Å; T532-K887 PolarHBondContact O-NZ 3.22Å |
| 533 | N | 38.2 | Very low | 45.1 | Very low | 143 Ų | 143 | 68.2 Ų | 68.2 | 77% | 0.765 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106 | -6.4 | -159.9 | -66.7 | 2.3 | 0 | 0 | 0 | 115.6 | P531 | P531-N533 PolarHBondContact O-N 2.87Å; P531-N533 VanDerWaalsContact O-N 3.15Å |
| 534 | D | 38.9 | Very low | 45.1 | Very low | 99 Ų | 99 | 67.9 Ų | 67.9 | 53% | 0.529 | 35% | 0.354 | S | S | . | . | trans | -101.8 | 137.9 | 179.9 | -68.1 | -25.5 | 0 | 0 | 0 | 111.8 | N536 S537 | D534-N536 PolarHBondContact O-N 3.49Å; D534-N536 VanDerWaalsContact O-N 3.1Å; D534-S537 WeakPolarHBondContact O-CB 3.34Å; D534-S537 PolarHBondContact O-N 3.44Å; D534-S537 PolarHBondContact O-OG 3.29Å | ||
| 535 | E | 40.3 | Very low | 45 | Very low | 179 Ų | 179 | 70.6 Ų | 70.6 | 84% | 0.836 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | -21.3 | 174.8 | -66.2 | -169.6 | 152.4 | 0 | 0 | 112.5 | S537 | E535-S537 PolarHBondContact O-N 3.06Š|
| 536 | N | 46.6 | Very low | 44.7 | Very low | 103 Ų | 103 | 71.4 Ų | 71.4 | 55% | 0.551 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.2 | -15.3 | 170.8 | -70.4 | -17.4 | 0 | 0 | 0 | 113.7 | D534 L538 L539 | D534-N536 PolarHBondContact O-N 3.49Å; D534-N536 VanDerWaalsContact O-N 3.1Å; N536-L538 PolarHBondContact O-N 3.46Å; N536-L539 PolarHBondContact O-N 3.41Å |
| 537 | S | 49.3 | Very low | 44.5 | Very low | 6 Ų | 6 | 69.7 Ų | 69.7 | 4% | 0.042 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -64.6 | -22.1 | 178 | 64 | 0 | 0 | 0 | 0 | 114.1 | P531 D534 E535 L539 S540 I541 K887 | P531-S537 WeakPolarHBondContact O-CB 3.29Å; D534-S537 WeakPolarHBondContact O-CB 3.34Å; D534-S537 PolarHBondContact O-N 3.44Å; D534-S537 PolarHBondContact O-OG 3.29Å; E535-S537 PolarHBondContact O-N 3.06Å; S537-L539 VanDerWaalsContact C-N 3.26Å; S537-L539 PolarHBondContact O-N 2.92Å; S537-S540 PolarHBondContact O-N 3.29Å; S537-S540 PolarHBondContact O-OG 3.2Å; S537-I541 VanDerWaalsContact O-CD1 3.25Å; S537-I541 WeakPolarHBondContact O-CD1 3.46Å; S537-I541 VanDerWaalsContact O-CG1 3.31Å; S537-I541 WeakPolarHBondContact O-CG1 3.35Å; S537-I541 PolarHBondContact O-N 3.46Å; S537-K887 PolarHBondContact OG-NZ 2.86Å |
| 538 | L | 49.5 | Very low | 44.4 | Very low | 26 Ų | 26 | 69.4 Ų | 69.4 | 14% | 0.136 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -63.7 | -34.7 | 175.5 | -70.2 | 178.7 | 0 | 0 | 0 | 112.1 | N536 K887 I890 L950 | N536-L538 PolarHBondContact O-N 3.46Å; L538-K887 HydrophobicContact CD2-CB 3.71Å; L538-K887 HydrophobicContact CD2-CD 4.18Å; L538-K887 HydrophobicContact CD2-CG 3.61Å; L538-I890 HydrophobicContact CB-CD1 4.42Å; L538-I890 HydrophobicContact CD1-CD1 4.06Å; L538-I890 HydrophobicContact CD2-CB 4.46Å; L538-I890 HydrophobicContact CD2-CD1 3.81Å; L538-I890 HydrophobicContact CG-CD1 4.32Å; L538-L950 HydrophobicContact CD1-CD1 4.36Å |
| 539 | L | 48.6 | Very low | 44.4 | Very low | 26 Ų | 26 | 72.8 Ų | 72.8 | 14% | 0.136 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -72.6 | -40.7 | 179.2 | -79.3 | 165.3 | 0 | 0 | 0 | 112 | N536 S537 I541 V542 F543 F547 K953 | N536-L539 PolarHBondContact O-N 3.41Å; S537-L539 VanDerWaalsContact C-N 3.26Å; S537-L539 PolarHBondContact O-N 2.92Å; L539-I541 PolarHBondContact O-N 3.27Å; L539-V542 PolarHBondContact O-N 3.38Å; L539-V542 VanDerWaalsContact O-N 3.13Å; L539-F543 HydrophobicContact CD2-CD2 4.15Å; L539-F543 HydrophobicContact CD2-CE2 4.23Å; L539-F543 PolarHBondContact O-N 2.87Å; L539-F547 HydrophobicContact CB-CE2 3.42Å; L539-F547 VanDerWaalsContact CB-CE2 3.42Å; L539-F547 HydrophobicContact CB-CZ 3.52Å; L539-F547 HydrophobicContact CD1-CE2 4.45Å; L539-F547 HydrophobicContact CD1-CZ 3.96Å; L539-F547 HydrophobicContact CG-CE2 4.47Å; L539-F547 HydrophobicContact CG-CZ 4.39Å; L539-K953 HydrophobicContact CD1-CD 4.22Å; L539-K953 HydrophobicContact CD2-CD 3.88Å; L539-K953 HydrophobicContact CD2-CG 3.79Å; L539-K953 HydrophobicContact CG-CD 3.83Å; L539-K953 HydrophobicContact CG-CG 4.32Å |
| 540 | S | 49.4 | Very low | 44.4 | Very low | 12 Ų | 12 | 76 Ų | 76 | 8% | 0.084 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -64.7 | -23 | -179.1 | 63.4 | 0 | 0 | 0 | 0 | 113.2 | S537 | S537-S540 PolarHBondContact O-N 3.29Å; S537-S540 PolarHBondContact O-OG 3.2Å |
| 541 | I | 51.8 | Low | 44.4 | Very low | 17 Ų | 17 | 77.9 Ų | 77.9 | 9% | 0.087 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -78.3 | -32.6 | 177.9 | -64.8 | 161.5 | 0 | 0 | 0 | 111.5 | S537 L539 Y820 T891 S894 | S537-I541 VanDerWaalsContact O-CD1 3.25Å; S537-I541 WeakPolarHBondContact O-CD1 3.46Å; S537-I541 VanDerWaalsContact O-CG1 3.31Å; S537-I541 WeakPolarHBondContact O-CG1 3.35Å; S537-I541 PolarHBondContact O-N 3.46Å; L539-I541 PolarHBondContact O-N 3.27Å; I541-Y820 HydrophobicContact CG2-CD2 4.49Å; I541-Y820 HydrophobicContact CG2-CE2 4.03Å; I541-T891 HydrophobicContact CD1-CG2 3.75Å; I541-T891 HydrophobicContact CG2-CG2 4.19Å; I541-S894 WeakPolarHBondContact CG2-OG 3.47Å |
| 542 | V | 51.2 | Low | 44.6 | Very low | 22 Ų | 22 | 81.1 Ų | 81.1 | 13% | 0.133 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -88.6 | -37.5 | -179.7 | 179.1 | 0 | 0 | 0 | 0 | 111.5 | L539 P544 I890 A957 I960 | L539-V542 PolarHBondContact O-N 3.38Å; L539-V542 VanDerWaalsContact O-N 3.13Å; V542-P544 WeakPolarHBondContact O-CD 3.5Å; V542-I890 HydrophobicContact CG2-CG2 3.54Å; V542-A957 HydrophobicContact CB-CB 4.45Å; V542-A957 HydrophobicContact CG1-CB 3.75Å; V542-A957 HydrophobicContact CG2-CB 3.78Å; V542-I960 HydrophobicContact CG1-CD1 3.6Å |
| 543 | F | 50.7 | Low | 44.8 | Very low | 24 Ų | 24 | 87.6 Ų | 87.6 | 11% | 0.105 | 42% | 0.421 | C | S | . | . | trans | -120.3 | 72.9 | -178.7 | -60.3 | -82.7 | 0 | 0 | 0 | 111.3 | L539 E545 E546 F547 T956 I960 | L539-F543 HydrophobicContact CD2-CD2 4.15Å; L539-F543 HydrophobicContact CD2-CE2 4.23Å; L539-F543 PolarHBondContact O-N 2.87Å; F543-E545 PolarHBondContact O-N 3.26Å; F543-E546 HydrophobicContact CB-CB 4.05Å; F543-E546 HydrophobicContact CB-CG 4.15Å; F543-E546 HydrophobicContact CD1-CG 4.33Å; F543-E546 PolarHBondContact O-N 2.96Å; F543-F547 WeakPolarHBondContact O-CD2 3.29Å; F543-T956 HydrophobicContact CZ-CG2 4.14Å; F543-I960 HydrophobicContact CD1-CD1 4.05Å; F543-I960 HydrophobicContact CE1-CD1 3.47Å; F543-I960 VanDerWaalsContact CE1-CD1 3.47Å; F543-I960 HydrophobicContact CE2-CD1 4.43Å; F543-I960 HydrophobicContact CZ-CD1 3.7Å | ||
| 544 | P | 49.8 | Very low | 45.2 | Very low | 56 Ų | 56 | 87.5 Ų | 87.5 | 36% | 0.364 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -60 | -32.7 | 176.8 | 23.4 | -31.9 | 0 | 0 | 0 | 111.9 | V542 R548 | V542-P544 WeakPolarHBondContact O-CD 3.5Å; P544-R548 VanDerWaalsContact O-CG 3.22Å; P544-R548 WeakPolarHBondContact O-CG 3.35Å; P544-R548 PolarHBondContact O-N 3.42Å |
| 545 | E | 45 | Very low | 45.4 | Very low | 123 Ų | 123 | 85.3 Ų | 85.3 | 58% | 0.575 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -71 | -42.8 | -177.9 | -67.8 | -71.9 | 127.1 | 0 | 0 | 113 | F543 F547 R548 T549 | F543-E545 PolarHBondContact O-N 3.26Å; E545-F547 PolarHBondContact O-N 3.32Å; E545-R548 WeakPolarHBondContact O-CB 3.26Å; E545-R548 PolarHBondContact O-N 3.28Å; E545-R548 IonicContact OE1-CZ 3.39Å; E545-R548 IonicContact OE1-NH1 2.75Å; E545-R548 PolarHBondContact OE1-NH1 3.45Å; E545-T549 PolarHBondContact O-N 2.92Å |
| 546 | E | 39.2 | Very low | 46.1 | Very low | 91 Ų | 91 | 84.7 Ų | 84.7 | 43% | 0.425 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -68.1 | -35 | -179.3 | -65.1 | -175.7 | 170 | 0 | 0 | 111.9 | F543 T549 | F543-E546 HydrophobicContact CB-CB 4.05Å; F543-E546 HydrophobicContact CB-CG 4.15Å; F543-E546 HydrophobicContact CD1-CG 4.33Å; F543-E546 PolarHBondContact O-N 2.96Å; E546-T549 PolarHBondContact O-N 2.9Å; E546-T549 PolarHBondContact O-OG1 3.22Å |
| 547 | F | 39.6 | Very low | 46.8 | Very low | 70 Ų | 70 | 83.3 Ų | 83.3 | 31% | 0.307 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -78.5 | -22.8 | 176.3 | -76 | -91.3 | 0 | 0 | 0 | 113.4 | L539 F543 E545 T549 | L539-F547 HydrophobicContact CB-CE2 3.42Å; L539-F547 VanDerWaalsContact CB-CE2 3.42Å; L539-F547 HydrophobicContact CB-CZ 3.52Å; L539-F547 HydrophobicContact CD1-CE2 4.45Å; L539-F547 HydrophobicContact CD1-CZ 3.96Å; L539-F547 HydrophobicContact CG-CE2 4.47Å; L539-F547 HydrophobicContact CG-CZ 4.39Å; F543-F547 WeakPolarHBondContact O-CD2 3.29Å; E545-F547 PolarHBondContact O-N 3.32Å; F547-T549 VanDerWaalsContact C-N 3.28Å |
| 548 | R | 43.4 | Very low | 47.8 | Very low | 138 Ų | 138 | 83.7 Ų | 83.7 | 52% | 0.521 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -59.6 | -44 | 165.7 | -75.8 | 168.3 | 178.1 | -174.3 | -6.3 | 109.8 | P544 E545 N550 N551 Y552 | P544-R548 VanDerWaalsContact O-CG 3.22Å; P544-R548 WeakPolarHBondContact O-CG 3.35Å; P544-R548 PolarHBondContact O-N 3.42Å; E545-R548 WeakPolarHBondContact O-CB 3.26Å; E545-R548 PolarHBondContact O-N 3.28Å; E545-R548 IonicContact OE1-CZ 3.39Å; E545-R548 IonicContact OE1-NH1 2.75Å; E545-R548 PolarHBondContact OE1-NH1 3.45Å; R548-N550 PolarHBondContact O-N 3.09Å; R548-N551 PolarHBondContact O-N 3.07Å; R548-Y552 VanDerWaalsContact C-CD2 3.47Å; R548-Y552 HydrophobicContact CB-CD2 4.36Å; R548-Y552 HydrophobicContact CB-CE2 3.93Å; R548-Y552 WeakPolarHBondContact O-CD2 3.34Å; R548-Y552 PolarHBondContact O-N 3.06Å |
| 549 | T | 41.4 | Very low | 49.2 | Very low | 85 Ų | 85 | 86.6 Ų | 86.6 | 52% | 0.521 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -62.4 | -37.9 | -177.3 | 62.1 | 0 | 0 | 0 | 0 | 115.4 | E545 E546 F547 N551 Y552 | E545-T549 PolarHBondContact O-N 2.92Å; E546-T549 PolarHBondContact O-N 2.9Å; E546-T549 PolarHBondContact O-OG1 3.22Å; F547-T549 VanDerWaalsContact C-N 3.28Å; T549-N551 PolarHBondContact O-N 3.37Å; T549-Y552 PolarHBondContact O-N 3.15Å |
| 550 | N | 40 | Very low | 50.8 | Low | 127 Ų | 127 | 86.2 Ų | 86.2 | 68% | 0.679 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -75.9 | -23.6 | -178 | -78.2 | -14.1 | 0 | 0 | 0 | 113.8 | R548 | R548-N550 PolarHBondContact O-N 3.09Å |
| 551 | N | 41.1 | Very low | 52.3 | Low | 111 Ų | 111 | 89 Ų | 89 | 59% | 0.594 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -94.5 | -1.1 | 175.6 | -70.7 | -5.1 | 0 | 0 | 0 | 113.3 | R548 T549 R553 | R548-N551 PolarHBondContact O-N 3.07Å; T549-N551 PolarHBondContact O-N 3.37Å; N551-R553 PolarHBondContact O-N 2.78Å |
| 552 | Y | 42.3 | Very low | 53.8 | Low | 146 Ų | 146 | 90 Ų | 90 | 57% | 0.573 | 44% | 0.437 | S | S | * | . | G | 310 helix | trans | -67.7 | -17.4 | -177.9 | -104.8 | -70.6 | 0 | 0 | 0 | 114.6 | R548 T549 N554 N555 | R548-Y552 VanDerWaalsContact C-CD2 3.47Å; R548-Y552 HydrophobicContact CB-CD2 4.36Å; R548-Y552 HydrophobicContact CB-CE2 3.93Å; R548-Y552 WeakPolarHBondContact O-CD2 3.34Å; R548-Y552 PolarHBondContact O-N 3.06Å; T549-Y552 PolarHBondContact O-N 3.15Å; Y552-N554 PolarHBondContact O-N 3.36Å; Y552-N555 PolarHBondContact O-N 2.97Å |
| 553 | R | 44.8 | Very low | 55.6 | Low | 235 Ų | 235 | 89.1 Ų | 89.1 | 89% | 0.887 | 43% | 0.431 | S | S | * | . | G | 310 helix | trans | -61.6 | -18.7 | -171.8 | -80.2 | -166.5 | 177.2 | -172.2 | -0 | 114.6 | N551 | N551-R553 PolarHBondContact O-N 2.78Š|
| 554 | N | 45.4 | Very low | 57.3 | Low | 142 Ų | 142 | 88.4 Ų | 88.4 | 76% | 0.759 | 43% | 0.428 | S | S | * | . | G | 310 helix | trans | -130.5 | 12 | -179.9 | -66.4 | 3.1 | 0 | 0 | 0 | 114.8 | Y552 E556 | Y552-N554 PolarHBondContact O-N 3.36Å; N554-E556 VanDerWaalsContact C-N 3.29Å; N554-E556 PolarHBondContact O-N 3.43Å; N554-E556 VanDerWaalsContact O-N 3.17Å |
| 555 | N | 44.7 | Very low | 59 | Low | 53 Ų | 53 | 93.3 Ų | 93.3 | 28% | 0.283 | 44% | 0.44 | S | S | . | . | trans | -91.6 | 55.8 | -178.4 | -76 | 2.3 | 0 | 0 | 0 | 111.7 | Y552 | Y552-N555 PolarHBondContact O-N 2.97Š| ||
| 556 | E | 53.8 | Low | 61.1 | Low | 165 Ų | 165 | 88.8 Ų | 88.8 | 77% | 0.771 | 42% | 0.419 | S | S | * | . | P | Polyproline II helix | trans | -64.8 | 129.7 | 163.9 | -70.1 | -175.7 | 166.8 | 0 | 0 | 107.9 | N554 C558 | N554-E556 VanDerWaalsContact C-N 3.29Å; N554-E556 PolarHBondContact O-N 3.43Å; N554-E556 VanDerWaalsContact O-N 3.17Å; E556-C558 PolarHBondContact O-N 2.97Å |
| 557 | P | 62 | Low | 63.6 | Low | 74 Ų | 74 | 84.5 Ų | 84.5 | 48% | 0.481 | 40% | 0.399 | S | S | . | . | P | Polyproline II helix | trans | -56.9 | 135.4 | 173.2 | 22.6 | -28.7 | 0 | 0 | 0 | 108.3 | V561 I562 | P557-V561 HydrophobicContact CB-CG1 4.5Å; P557-I562 HydrophobicContact CB-CG1 4.14Å; P557-I562 HydrophobicContact CG-CD1 3.98Å; P557-I562 HydrophobicContact CG-CG1 3.85Å; P557-I562 WeakPolarHBondContact O-CD1 3.43Å |
| 558 | C | 71.2 | Confident | 66 | Low | 15 Ų | 15 | 81.4 Ų | 81.4 | 10% | 0.101 | 39% | 0.385 | C | S | . | . | P | Polyproline II helix | trans | -57.2 | 150.2 | -179.2 | 58.5 | 0 | 0 | 0 | 0 | 111.3 | D519 E556 Y560 V561 I562 | D519-C558 HydrophobicContact CB-CB 3.5Å; E556-C558 PolarHBondContact O-N 2.97Å; C558-Y560 PolarHBondContact O-N 3.2Å; C558-Y560 VanDerWaalsContact O-N 3.11Å; C558-V561 PolarHBondContact O-N 3.32Å; C558-V561 WeakPolarHBondContact SG-CG2 3.46Å; C558-I562 PolarHBondContact O-N 3.39Å |
| 559 | E | 78.8 | Confident | 68.2 | Low | 87 Ų | 87 | 76.7 Ų | 76.7 | 41% | 0.407 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -54.7 | -36.4 | -175.5 | -61.3 | -174.5 | 159.5 | 0 | 0 | 112 | F455 L516 V561 I562 F563 | F455-E559 HydrophobicContact CD1-CB 3.99Å; F455-E559 HydrophobicContact CD1-CG 3.91Å; F455-E559 HydrophobicContact CE1-CB 3.85Å; F455-E559 HydrophobicContact CE1-CG 4Å; F455-E559 HydrophobicContact CG-CB 4.44Å; F455-E559 HydrophobicContact CZ-CB 4.19Å; F455-E559 WeakPolarHBondContact CZ-O 3.48Å; L516-E559 HydrophobicContact CD2-CB 3.77Å; E559-V561 PolarHBondContact O-N 3.02Å; E559-I562 PolarHBondContact O-N 3.42Å; E559-F563 VanDerWaalsContact O-CB 3.25Å; E559-F563 WeakPolarHBondContact O-CB 3.48Å; E559-F563 PolarHBondContact O-N 2.87Å |
| 560 | Y | 81.1 | Confident | 70.4 | Confident | 17 Ų | 17 | 72.6 Ų | 72.6 | 7% | 0.067 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -59.8 | -41.8 | 174.8 | -175.7 | -96.7 | 0 | 0 | 0 | 113.8 | Y506 L513 L516 I520 C558 F563 I564 | Y506-Y560 HydrophobicContact CE2-CE2 4.26Å; L513-Y560 HydrophobicContact CD2-CE2 4.36Å; L516-Y560 HydrophobicContact CB-CD2 4.23Å; I520-Y560 HydrophobicContact CD1-CD1 3.24Å; I520-Y560 HydrophobicContact CD1-CD2 4.41Å; I520-Y560 HydrophobicContact CD1-CE1 3.69Å; I520-Y560 HydrophobicContact CD1-CG 3.63Å; I520-Y560 HydrophobicContact CG1-CD1 4.14Å; I520-Y560 HydrophobicContact CG1-CG 4.39Å; C558-Y560 PolarHBondContact O-N 3.2Å; C558-Y560 VanDerWaalsContact O-N 3.11Å; Y560-F563 WeakPolarHBondContact O-CB 3.21Å; Y560-F563 PolarHBondContact O-N 2.88Å; Y560-I564 HydrophobicContact CD1-CD1 3.92Å; Y560-I564 HydrophobicContact CD1-CG1 4.38Å; Y560-I564 HydrophobicContact CE1-CD1 3.21Å; Y560-I564 HydrophobicContact CE1-CG1 4.09Å; Y560-I564 HydrophobicContact CE2-CD1 4.14Å; Y560-I564 WeakPolarHBondContact O-CG1 3.46Å; Y560-I564 PolarHBondContact O-N 3.01Å; Y560-I564 WeakPolarHBondContact OH-CD1 3.35Å |
| 561 | V | 80.5 | Confident | 72.9 | Confident | 70 Ų | 70 | 66.6 Ų | 66.6 | 42% | 0.424 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -69.6 | -39.2 | 179.4 | 168.8 | 0 | 0 | 0 | 0 | 110.6 | P557 C558 E559 R565 | P557-V561 HydrophobicContact CB-CG1 4.5Å; C558-V561 PolarHBondContact O-N 3.32Å; C558-V561 WeakPolarHBondContact SG-CG2 3.46Å; E559-V561 PolarHBondContact O-N 3.02Å; V561-R565 WeakPolarHBondContact O-CB 3.38Å; V561-R565 PolarHBondContact O-N 2.86Å |
| 562 | I | 83.9 | Confident | 75.2 | Confident | 40 Ų | 40 | 63.3 Ų | 63.3 | 21% | 0.205 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -64 | -48.7 | 174 | -58.1 | 173.3 | 0 | 0 | 0 | 109.7 | F455 L459 P557 C558 E559 I564 R565 E566 | F455-I562 HydrophobicContact CE1-CB 4.41Å; F455-I562 HydrophobicContact CE1-CG2 4.34Å; F455-I562 HydrophobicContact CZ-CB 3.88Å; F455-I562 HydrophobicContact CZ-CG2 3.82Å; L459-I562 HydrophobicContact CD2-CG2 4.17Å; P557-I562 HydrophobicContact CB-CG1 4.14Å; P557-I562 HydrophobicContact CG-CD1 3.98Å; P557-I562 HydrophobicContact CG-CG1 3.85Å; P557-I562 WeakPolarHBondContact O-CD1 3.43Å; C558-I562 PolarHBondContact O-N 3.39Å; E559-I562 PolarHBondContact O-N 3.42Å; I562-I564 PolarHBondContact O-N 2.95Å; I562-R565 PolarHBondContact O-N 2.87Å; I562-E566 HydrophobicContact CG2-CG 4.18Å; I562-E566 WeakPolarHBondContact O-CG 3.34Å; I562-E566 PolarHBondContact O-N 3.33Å |
| 563 | F | 88.5 | Confident | 77.3 | Confident | 2 Ų | 2 | 58 Ų | 58 | 1% | 0.009 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -51.1 | -53.6 | 176.8 | 167 | -103.6 | 0 | 0 | 0 | 111.3 | F455 Y458 R503 L504 Y512 L513 L516 E559 Y560 S567 | F455-F563 HydrophobicContact CE2-CB 3.77Å; F455-F563 HydrophobicContact CZ-CB 4.37Å; Y458-F563 HydrophobicContact CD1-CD2 4.14Å; Y458-F563 HydrophobicContact CD1-CE2 4.39Å; Y458-F563 AromaticContact CE1-CD2 3.48Å; Y458-F563 HydrophobicContact CE1-CD2 3.48Å; Y458-F563 VanDerWaalsContact CE1-CD2 3.48Å; Y458-F563 AromaticContact CE1-CE2 3.47Å; Y458-F563 HydrophobicContact CE1-CE2 3.47Å; Y458-F563 VanDerWaalsContact CE1-CE2 3.47Å; Y458-F563 AromaticContact CZ-CE2 3.66Å; Y458-F563 WeakPolarHBondContact OH-CE2 3.33Å; R503-F563 HydrophobicContact CG-CE2 4.32Å; R503-F563 HydrophobicContact CG-CZ 4.06Å; L504-F563 HydrophobicContact CD2-CE1 4.14Å; L504-F563 HydrophobicContact CD2-CZ 4.28Å; Y512-F563 AromaticContact CE1-CD2 3.96Å; Y512-F563 HydrophobicContact CE1-CD2 3.96Å; Y512-F563 AromaticContact CE1-CE2 3.7Å; Y512-F563 HydrophobicContact CE1-CE2 3.7Å; Y512-F563 HydrophobicContact CE1-CZ 4.27Å; L513-F563 HydrophobicContact CD2-CD1 4.06Å; L513-F563 HydrophobicContact CD2-CE1 3.47Å; L513-F563 VanDerWaalsContact CD2-CE1 3.47Å; L513-F563 HydrophobicContact CD2-CZ 3.96Å; L516-F563 HydrophobicContact CD1-CB 3.87Å; L516-F563 HydrophobicContact CD1-CD1 4.05Å; L516-F563 HydrophobicContact CD1-CD2 4.14Å; L516-F563 HydrophobicContact CD1-CG 3.73Å; E559-F563 VanDerWaalsContact O-CB 3.25Å; E559-F563 WeakPolarHBondContact O-CB 3.48Å; E559-F563 PolarHBondContact O-N 2.87Å; Y560-F563 WeakPolarHBondContact O-CB 3.21Å; Y560-F563 PolarHBondContact O-N 2.88Å; F563-S567 WeakPolarHBondContact CE2-OG 3.35Å; F563-S567 WeakPolarHBondContact O-CB 3.35Å; F563-S567 PolarHBondContact O-N 2.79Å; F563-S567 PolarHBondContact O-OG 3.43Å |
| 564 | I | 86 | Confident | 79.3 | Confident | 9 Ų | 9 | 46.8 Ų | 46.8 | 5% | 0.046 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -63.3 | -46 | -179.4 | -73.1 | -169.6 | 0 | 0 | 0 | 110.9 | Y560 I562 E566 L568 | Y560-I564 HydrophobicContact CD1-CD1 3.92Å; Y560-I564 HydrophobicContact CD1-CG1 4.38Å; Y560-I564 HydrophobicContact CE1-CD1 3.21Å; Y560-I564 HydrophobicContact CE1-CG1 4.09Å; Y560-I564 HydrophobicContact CE2-CD1 4.14Å; Y560-I564 WeakPolarHBondContact O-CG1 3.46Å; Y560-I564 PolarHBondContact O-N 3.01Å; Y560-I564 WeakPolarHBondContact OH-CD1 3.35Å; I562-I564 PolarHBondContact O-N 2.95Å; I564-E566 PolarHBondContact O-N 3.47Å; I564-L568 HydrophobicContact CG2-CD1 3.53Å; I564-L568 HydrophobicContact CG2-CG 4.03Å; I564-L568 VanDerWaalsContact O-CB 3.24Å; I564-L568 WeakPolarHBondContact O-CB 3.41Å; I564-L568 WeakPolarHBondContact O-CG 3.45Å; I564-L568 PolarHBondContact O-N 3.34Å |
| 565 | R | 85.9 | Confident | 81.2 | Confident | 159 Ų | 159 | 40.2 Ų | 40.2 | 60% | 0.6 | 20% | 0.2 | S | C | * | . | H | α-helix | trans | -58.6 | -48.8 | -177.4 | -171.5 | -175.3 | 86.6 | -176.1 | 7.3 | 111.5 | V561 I562 S569 | V561-R565 WeakPolarHBondContact O-CB 3.38Å; V561-R565 PolarHBondContact O-N 2.86Å; I562-R565 PolarHBondContact O-N 2.87Å; R565-S569 WeakPolarHBondContact O-CB 3.24Å; R565-S569 PolarHBondContact O-N 3.29Å |
| 566 | E | 89.5 | Confident | 83 | Confident | 29 Ų | 29 | 39 Ų | 39 | 14% | 0.136 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -75 | -39.2 | -175.1 | -60.9 | -62 | 149.9 | 0 | 0 | 111 | L459 I462 I562 I564 L568 S569 T570 | L459-E566 HydrophobicContact CD1-CB 3.62Å; L459-E566 HydrophobicContact CD1-CG 3.53Å; I462-E566 HydrophobicContact CG2-CB 4.46Å; I562-E566 HydrophobicContact CG2-CG 4.18Å; I562-E566 WeakPolarHBondContact O-CG 3.34Å; I562-E566 PolarHBondContact O-N 3.33Å; I564-E566 PolarHBondContact O-N 3.47Å; E566-L568 PolarHBondContact O-N 2.97Å; E566-S569 PolarHBondContact O-N 2.89Å; E566-T570 VanDerWaalsContact O-CG2 3.23Å; E566-T570 WeakPolarHBondContact O-CG2 3.38Å; E566-T570 PolarHBondContact O-N 3.39Å; E566-T570 PolarHBondContact O-OG1 3.47Å |
| 567 | S | 91.3 | Very high | 84.3 | Confident | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -62.9 | -43 | 173.6 | -57.2 | 0 | 0 | 0 | 0 | 111.9 | Y458 F563 T570 F571 | Y458-S567 PolarHBondContact OH-OG 3.5Å; F563-S567 WeakPolarHBondContact CE2-OG 3.35Å; F563-S567 WeakPolarHBondContact O-CB 3.35Å; F563-S567 PolarHBondContact O-N 2.79Å; F563-S567 PolarHBondContact O-OG 3.43Å; S567-T570 PolarHBondContact O-N 2.68Å; S567-T570 PolarHBondContact O-OG1 3.29Å; S567-F571 VanDerWaalsContact O-CB 3.29Å; S567-F571 WeakPolarHBondContact O-CB 3.15Å; S567-F571 PolarHBondContact O-N 2.8Å |
| 568 | L | 90.1 | Very high | 85.3 | Confident | 6 Ų | 6 | 28.9 Ų | 28.9 | 3% | 0.031 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -66.8 | -42.1 | 176.2 | -73 | 179.2 | 0 | 0 | 0 | 112.1 | L504 I564 E566 T570 F571 H572 Q634 V635 F638 | L504-L568 HydrophobicContact CD1-CD2 4.02Å; I564-L568 HydrophobicContact CG2-CD1 3.53Å; I564-L568 HydrophobicContact CG2-CG 4.03Å; I564-L568 VanDerWaalsContact O-CB 3.24Å; I564-L568 WeakPolarHBondContact O-CB 3.41Å; I564-L568 WeakPolarHBondContact O-CG 3.45Å; I564-L568 PolarHBondContact O-N 3.34Å; E566-L568 PolarHBondContact O-N 2.97Å; L568-T570 VanDerWaalsContact C-N 3.34Å; L568-T570 PolarHBondContact O-N 3.28Å; L568-F571 PolarHBondContact O-N 3.48Å; L568-H572 WeakPolarHBondContact O-CB 3.41Å; L568-H572 PolarHBondContact O-N 3.05Å; L568-Q634 HydrophobicContact CD1-CG 4.15Å; L568-V635 HydrophobicContact CD2-CB 4.15Å; L568-V635 HydrophobicContact CD2-CG1 4.26Å; L568-V635 HydrophobicContact CD2-CG2 3.56Å; L568-F638 HydrophobicContact CB-CD1 3.83Å; L568-F638 HydrophobicContact CB-CE1 3.89Å; L568-F638 HydrophobicContact CB-CG 4.29Å; L568-F638 HydrophobicContact CB-CZ 4.43Å; L568-F638 HydrophobicContact CD1-CB 4.32Å; L568-F638 HydrophobicContact CD1-CG 4.34Å; L568-F638 VanDerWaalsContact O-CE1 3.26Å; L568-F638 WeakPolarHBondContact O-CE1 3.44Å |
| 569 | S | 89.9 | Confident | 85.8 | Confident | 38 Ų | 38 | 31 Ų | 31 | 27% | 0.266 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -56.7 | -49.5 | 175.2 | 179.7 | 0 | 0 | 0 | 0 | 111 | R565 E566 H572 H573 | R565-S569 WeakPolarHBondContact O-CB 3.24Å; R565-S569 PolarHBondContact O-N 3.29Å; E566-S569 PolarHBondContact O-N 2.89Å; S569-H572 WeakPolarHBondContact O-CB 3.49Å; S569-H572 PolarHBondContact O-N 2.56Å; S569-H572 VanDerWaalsContact O-N 3.15Å; S569-H573 PolarHBondContact O-N 3.48Å; S569-H573 PolarHBondContact O-ND1 3.23Å |
| 570 | T | 89 | Confident | 85.9 | Confident | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -69 | -37.1 | -179.4 | 57.1 | 0 | 0 | 0 | 0 | 112.6 | I462 L500 E566 S567 L568 H572 H573 L574 | I462-T570 HydrophobicContact CG2-CG2 3.22Å; L500-T570 WeakPolarHBondContact CD1-OG1 3.2Å; E566-T570 VanDerWaalsContact O-CG2 3.23Å; E566-T570 WeakPolarHBondContact O-CG2 3.38Å; E566-T570 PolarHBondContact O-N 3.39Å; E566-T570 PolarHBondContact O-OG1 3.47Å; S567-T570 PolarHBondContact O-N 2.68Å; S567-T570 PolarHBondContact O-OG1 3.29Å; L568-T570 VanDerWaalsContact C-N 3.34Å; L568-T570 PolarHBondContact O-N 3.28Å; T570-H572 VanDerWaalsContact C-N 3.31Å; T570-H572 PolarHBondContact O-N 3.07Å; T570-H573 PolarHBondContact O-N 2.74Å; T570-L574 PolarHBondContact O-N 2.78Å; T570-L574 VanDerWaalsContact O-N 3.14Å |
| 571 | F | 90.7 | Very high | 85.9 | Confident | 1 Ų | 1 | 34.4 Ų | 34.4 | 0% | 0.004 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -59.7 | -40.7 | 169.7 | -167.4 | -118.3 | 0 | 0 | 0 | 112 | L500 F501 S567 L568 H573 L574 V575 F582 V635 M639 | L500-F571 HydrophobicContact CD2-CB 3.7Å; L500-F571 HydrophobicContact CD2-CD2 3.88Å; L500-F571 HydrophobicContact CD2-CG 4.06Å; F501-F571 HydrophobicContact CB-CE2 4.07Å; F501-F571 HydrophobicContact CB-CZ 4.32Å; F501-F571 HydrophobicContact CD2-CE1 4.05Å; F501-F571 HydrophobicContact CD2-CE2 4.27Å; F501-F571 AromaticContact CD2-CZ 3.74Å; F501-F571 HydrophobicContact CD2-CZ 3.74Å; F501-F571 HydrophobicContact CE2-CE1 4.46Å; F501-F571 HydrophobicContact CE2-CZ 4.4Å; F501-F571 HydrophobicContact CG-CE2 4.49Å; F501-F571 HydrophobicContact CG-CZ 4.25Å; S567-F571 VanDerWaalsContact O-CB 3.29Å; S567-F571 WeakPolarHBondContact O-CB 3.15Å; S567-F571 PolarHBondContact O-N 2.8Å; L568-F571 PolarHBondContact O-N 3.48Å; F571-H573 PolarHBondContact O-N 3.31Å; F571-L574 HydrophobicContact CD2-CD2 4.29Å; F571-L574 HydrophobicContact CE2-CD2 4.41Å; F571-L574 WeakPolarHBondContact O-CB 3.21Å; F571-L574 PolarHBondContact O-N 2.99Å; F571-L574 VanDerWaalsContact O-N 3.17Å; F571-V575 HydrophobicContact CD1-CG2 4.02Å; F571-V575 HydrophobicContact CD2-CG2 4.49Å; F571-V575 HydrophobicContact CE1-CG2 3.73Å; F571-V575 HydrophobicContact CE2-CG2 4.23Å; F571-V575 HydrophobicContact CG-CG2 4.39Å; F571-V575 HydrophobicContact CZ-CG2 3.84Å; F571-V575 WeakPolarHBondContact O-CG2 3.3Å; F571-V575 PolarHBondContact O-N 3.11Å; F571-F582 AromaticContact CE2-CD1 3.84Å; F571-F582 HydrophobicContact CE2-CD1 3.84Å; F571-F582 HydrophobicContact CE2-CE1 4.24Å; F571-F582 HydrophobicContact CE2-CG 4.21Å; F571-F582 HydrophobicContact CZ-CB 4.13Å; F571-F582 AromaticContact CZ-CD1 3.94Å; F571-F582 HydrophobicContact CZ-CD1 3.94Å; F571-F582 HydrophobicContact CZ-CG 4.16Å; F571-V635 HydrophobicContact CE1-CG1 4.46Å; F571-M639 HydrophobicContact CD1-CE 3.99Å; F571-M639 HydrophobicContact CE1-CE 4.19Å |
| 572 | H | 89.2 | Confident | 86.3 | Confident | 42 Ų | 42 | 31.2 Ų | 31.2 | 19% | 0.194 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -61.5 | -42.9 | 178.2 | 178 | 102.1 | 0 | 0 | 0 | 112.8 | L568 S569 T570 L574 V575 G576 F638 M639 | L568-H572 WeakPolarHBondContact O-CB 3.41Å; L568-H572 PolarHBondContact O-N 3.05Å; S569-H572 WeakPolarHBondContact O-CB 3.49Å; S569-H572 PolarHBondContact O-N 2.56Å; S569-H572 VanDerWaalsContact O-N 3.15Å; T570-H572 VanDerWaalsContact C-N 3.31Å; T570-H572 PolarHBondContact O-N 3.07Å; H572-L574 VanDerWaalsContact C-N 3.31Å; H572-L574 PolarHBondContact O-N 2.93Å; H572-V575 PolarHBondContact O-N 3.48Å; H572-G576 PolarHBondContact O-N 3.07Å; H572-F638 HydrophobicContact CB-CD1 4.39Å; H572-F638 HydrophobicContact CB-CE1 3.68Å; H572-M639 HydrophobicContact CB-CE 4.31Å; H572-M639 HydrophobicContact CB-SD 3.91Å |
| 573 | H | 87.2 | Confident | 86.4 | Confident | 34 Ų | 34 | 29.4 Ų | 29.4 | 16% | 0.157 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -60.4 | -42.8 | 174.1 | -64.3 | 97.9 | 0 | 0 | 0 | 111.4 | F469 E470 S569 T570 F571 G576 L577 | F469-H573 HydrophobicContact CB-CB 3.76Å; F469-H573 HydrophobicContact CD2-CB 4.22Å; F469-H573 HydrophobicContact CG-CB 4.48Å; E470-H573 IonicContact OE1-CE1 3.31Å; E470-H573 IonicContact OE1-NE2 3.26Å; E470-H573 PolarHBondContact OE1-NE2 3.05Å; S569-H573 PolarHBondContact O-N 3.48Å; S569-H573 PolarHBondContact O-ND1 3.23Å; T570-H573 PolarHBondContact O-N 2.74Å; F571-H573 PolarHBondContact O-N 3.31Å; H573-G576 WeakPolarHBondContact O-CA 3.39Å; H573-G576 PolarHBondContact O-N 3.47Å; H573-G576 VanDerWaalsContact O-N 3.16Å; H573-L577 PolarHBondContact O-N 3.49Å |
| 574 | L | 86.3 | Confident | 86.3 | Confident | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -63.1 | -44.3 | 176.4 | -170.6 | 91.2 | 0 | 0 | 0 | 112.7 | F469 L493 F496 T570 F571 H572 G576 L577 L578 F582 | F469-L574 HydrophobicContact CD1-CD1 4.15Å; F469-L574 HydrophobicContact CD2-CB 4.15Å; F469-L574 HydrophobicContact CD2-CD1 4.31Å; F469-L574 HydrophobicContact CE1-CD1 3.65Å; F469-L574 HydrophobicContact CE2-CB 4.1Å; F469-L574 HydrophobicContact CE2-CD1 3.81Å; F469-L574 HydrophobicContact CG-CD1 4.49Å; F469-L574 HydrophobicContact CZ-CD1 3.46Å; F469-L574 VanDerWaalsContact CZ-CD1 3.46Å; L493-L574 HydrophobicContact CB-CD1 4.31Å; L493-L574 HydrophobicContact CD2-CD1 4.11Å; F496-L574 HydrophobicContact CD1-CD1 4.19Å; F496-L574 HydrophobicContact CD1-CD2 4.48Å; T570-L574 PolarHBondContact O-N 2.78Å; T570-L574 VanDerWaalsContact O-N 3.14Å; F571-L574 HydrophobicContact CD2-CD2 4.29Å; F571-L574 HydrophobicContact CE2-CD2 4.41Å; F571-L574 WeakPolarHBondContact O-CB 3.21Å; F571-L574 PolarHBondContact O-N 2.99Å; F571-L574 VanDerWaalsContact O-N 3.17Å; H572-L574 VanDerWaalsContact C-N 3.31Å; H572-L574 PolarHBondContact O-N 2.93Å; L574-G576 PolarHBondContact O-N 3.15Å; L574-L577 WeakPolarHBondContact O-CB 3.46Å; L574-L577 PolarHBondContact O-N 2.73Å; L574-L578 PolarHBondContact O-N 3.41Å; L574-F582 HydrophobicContact CD2-CD2 4.03Å; L574-F582 HydrophobicContact CD2-CE1 4.1Å; L574-F582 HydrophobicContact CD2-CE2 3.28Å; L574-F582 HydrophobicContact CD2-CZ 3.34Å; L574-F582 HydrophobicContact CG-CD2 4.45Å; L574-F582 HydrophobicContact CG-CE2 3.78Å; L574-F582 HydrophobicContact CG-CZ 4.27Å |
| 575 | V | 85.8 | Confident | 86.3 | Confident | 3 Ų | 3 | 33.5 Ų | 33.5 | 2% | 0.018 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -66.7 | -28.3 | 175 | 177 | 0 | 0 | 0 | 0 | 111.3 | F571 H572 L577 L578 P579 F582 M639 K642 | F571-V575 HydrophobicContact CD1-CG2 4.02Å; F571-V575 HydrophobicContact CD2-CG2 4.49Å; F571-V575 HydrophobicContact CE1-CG2 3.73Å; F571-V575 HydrophobicContact CE2-CG2 4.23Å; F571-V575 HydrophobicContact CG-CG2 4.39Å; F571-V575 HydrophobicContact CZ-CG2 3.84Å; F571-V575 WeakPolarHBondContact O-CG2 3.3Å; F571-V575 PolarHBondContact O-N 3.11Å; H572-V575 PolarHBondContact O-N 3.48Å; V575-L577 PolarHBondContact O-N 3.23Å; V575-L578 CarbonylContact O-C 3.41Å; V575-P579 WeakPolarHBondContact O-CA 3.41Å; V575-P579 WeakPolarHBondContact O-CB 3.25Å; V575-P579 WeakPolarHBondContact O-CD 3.46Å; V575-P579 VanDerWaalsContact O-N 3.1Å; V575-F582 HydrophobicContact CB-CB 4.47Å; V575-F582 HydrophobicContact CG1-CB 4.44Å; V575-F582 HydrophobicContact CG2-CB 3.53Å; V575-F582 HydrophobicContact CG2-CD2 4.12Å; V575-F582 HydrophobicContact CG2-CG 3.99Å; V575-M639 HydrophobicContact CB-CE 3.35Å; V575-M639 HydrophobicContact CG1-CE 3.61Å; V575-M639 HydrophobicContact CG2-CE 3.27Å; V575-K642 HydrophobicContact CG1-CD 4.49Å; V575-K642 HydrophobicContact CG1-CG 4.05Å |
| 576 | G | 82.5 | Confident | 86.5 | Confident | 27 Ų | 27 | 26.1 Ų | 26.1 | 28% | 0.278 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -58.8 | -34.6 | 168.6 | 0 | 0 | 0 | 0 | 0 | 113 | H572 H573 L574 | H572-G576 PolarHBondContact O-N 3.07Å; H573-G576 WeakPolarHBondContact O-CA 3.39Å; H573-G576 PolarHBondContact O-N 3.47Å; H573-G576 VanDerWaalsContact O-N 3.16Å; L574-G576 PolarHBondContact O-N 3.15Å |
| 577 | L | 81.4 | Confident | 86.5 | Confident | 15 Ų | 15 | 25.5 Ų | 25.5 | 8% | 0.079 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -82 | -43.9 | 176.4 | -64 | 171.3 | 0 | 0 | 0 | 112.9 | F469 L472 Q473 H573 L574 V575 P579 | F469-L577 HydrophobicContact CB-CD1 3.84Å; F469-L577 HydrophobicContact CD1-CD1 3.95Å; F469-L577 HydrophobicContact CG-CD1 4.15Å; L472-L577 HydrophobicContact CB-CD1 4.02Å; L472-L577 HydrophobicContact CB-CD2 3.98Å; L472-L577 HydrophobicContact CD1-CD1 4.26Å; Q473-L577 HydrophobicContact CB-CD2 3.89Å; H573-L577 PolarHBondContact O-N 3.49Å; L574-L577 WeakPolarHBondContact O-CB 3.46Å; L574-L577 PolarHBondContact O-N 2.73Å; V575-L577 PolarHBondContact O-N 3.23Å; L577-P579 VanDerWaalsContact C-CD 3.45Å; L577-P579 WeakPolarHBondContact O-CD 3.43Å |
| 578 | L | 82.3 | Confident | 86.5 | Confident | 12 Ų | 12 | 30.7 Ų | 30.7 | 6% | 0.063 | 17% | 0.167 | C | C | . | . | trans | -123 | 67.6 | -175.4 | -62.1 | 177.6 | 0 | 0 | 0 | 111.5 | L484 H490 L493 T494 L574 V575 H580 F582 | L484-L578 HydrophobicContact CD2-CD2 4.16Å; H490-L578 WeakPolarHBondContact ND1-CD2 3.39Å; L493-L578 HydrophobicContact CB-CD1 3.81Å; L493-L578 HydrophobicContact CD1-CD1 4.48Å; T494-L578 HydrophobicContact CG2-CD1 3.89Å; L574-L578 PolarHBondContact O-N 3.41Å; V575-L578 CarbonylContact O-C 3.41Å; L578-H580 VanDerWaalsContact C-N 3.33Å; L578-H580 PolarHBondContact O-N 3.03Å; L578-F582 HydrophobicContact CB-CD2 3.96Å; L578-F582 HydrophobicContact CB-CE2 3.88Å; L578-F582 HydrophobicContact CD1-CE2 4.08Å; L578-F582 WeakPolarHBondContact O-CD2 3.13Å | ||
| 579 | P | 81.5 | Confident | 86.5 | Confident | 59 Ų | 59 | 33.6 Ų | 33.6 | 38% | 0.383 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -66.9 | -33.2 | -171.7 | 24.8 | -34.2 | 0 | 0 | 0 | 112.9 | V575 L577 T583 | V575-P579 WeakPolarHBondContact O-CA 3.41Å; V575-P579 WeakPolarHBondContact O-CB 3.25Å; V575-P579 WeakPolarHBondContact O-CD 3.46Å; V575-P579 VanDerWaalsContact O-N 3.1Å; L577-P579 VanDerWaalsContact C-CD 3.45Å; L577-P579 WeakPolarHBondContact O-CD 3.43Å; P579-T583 WeakPolarHBondContact O-CB 3.43Å; P579-T583 PolarHBondContact O-N 3.06Å; P579-T583 VanDerWaalsContact O-N 3.13Å; P579-T583 PolarHBondContact O-OG1 3.18Å |
| 580 | H | 80.6 | Confident | 86.6 | Confident | 113 Ų | 113 | 31.9 Ų | 31.9 | 52% | 0.523 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -70 | -48.8 | -175.2 | -168.4 | 40 | 0 | 0 | 0 | 112.9 | L578 F582 V584 Y648 | L578-H580 VanDerWaalsContact C-N 3.33Å; L578-H580 PolarHBondContact O-N 3.03Å; H580-F582 PolarHBondContact O-N 3.48Å; H580-V584 WeakPolarHBondContact O-CG2 3.45Å; H580-V584 PolarHBondContact O-N 3.22Å; H580-Y648 VanDerWaalsContact CA-OH 3.24Å; H580-Y648 WeakPolarHBondContact CA-OH 3.41Å; H580-Y648 WeakPolarHBondContact CB-OH 3.19Å; H580-Y648 AromaticContact ND1-CE1 3.87Å; H580-Y648 AromaticContact ND1-CZ 3.83Å; H580-Y648 PolarHBondContact ND1-OH 3.42Å |
| 581 | D | 82.7 | Confident | 86.8 | Confident | 63 Ų | 63 | 35.5 Ų | 35.5 | 34% | 0.337 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -62.9 | -45.7 | -174.6 | -52.9 | -43.3 | 0 | 0 | 0 | 111.1 | H490 L585 | H490-D581 IonicContact CE1-OD2 2.6Å; H490-D581 PolarHBondContact CE1-OD2 3.09Å; H490-D581 IonicContact NE2-OD2 3.75Å; D581-L585 VanDerWaalsContact O-CB 3.28Å; D581-L585 WeakPolarHBondContact O-CB 3.39Å; D581-L585 PolarHBondContact O-N 3.19Å |
| 582 | F | 88.2 | Confident | 86.8 | Confident | 3 Ų | 3 | 39.1 Ų | 39.1 | 1% | 0.013 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -83.2 | -30.5 | -175 | -65.9 | -63 | 0 | 0 | 0 | 114.2 | F571 L574 V575 L578 H580 L585 L586 | F571-F582 AromaticContact CE2-CD1 3.84Å; F571-F582 HydrophobicContact CE2-CD1 3.84Å; F571-F582 HydrophobicContact CE2-CE1 4.24Å; F571-F582 HydrophobicContact CE2-CG 4.21Å; F571-F582 HydrophobicContact CZ-CB 4.13Å; F571-F582 AromaticContact CZ-CD1 3.94Å; F571-F582 HydrophobicContact CZ-CD1 3.94Å; F571-F582 HydrophobicContact CZ-CG 4.16Å; L574-F582 HydrophobicContact CD2-CD2 4.03Å; L574-F582 HydrophobicContact CD2-CE1 4.1Å; L574-F582 HydrophobicContact CD2-CE2 3.28Å; L574-F582 HydrophobicContact CD2-CZ 3.34Å; L574-F582 HydrophobicContact CG-CD2 4.45Å; L574-F582 HydrophobicContact CG-CE2 3.78Å; L574-F582 HydrophobicContact CG-CZ 4.27Å; V575-F582 HydrophobicContact CB-CB 4.47Å; V575-F582 HydrophobicContact CG1-CB 4.44Å; V575-F582 HydrophobicContact CG2-CB 3.53Å; V575-F582 HydrophobicContact CG2-CD2 4.12Å; V575-F582 HydrophobicContact CG2-CG 3.99Å; L578-F582 HydrophobicContact CB-CD2 3.96Å; L578-F582 HydrophobicContact CB-CE2 3.88Å; L578-F582 HydrophobicContact CD1-CE2 4.08Å; L578-F582 WeakPolarHBondContact O-CD2 3.13Å; H580-F582 PolarHBondContact O-N 3.48Å; F582-L585 HydrophobicContact CD1-CD2 4.04Å; F582-L585 HydrophobicContact CE1-CD2 4.44Å; F582-L585 PolarHBondContact O-N 3.08Å; F582-L586 WeakPolarHBondContact O-CB 3.3Å; F582-L586 PolarHBondContact O-N 3.16Å |
| 583 | T | 85.6 | Confident | 86.9 | Confident | 3 Ų | 3 | 37.4 Ų | 37.4 | 2% | 0.018 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -67.5 | -40.3 | 177.9 | -54.9 | 0 | 0 | 0 | 0 | 110.9 | P579 F587 F643 Y648 | P579-T583 WeakPolarHBondContact O-CB 3.43Å; P579-T583 PolarHBondContact O-N 3.06Å; P579-T583 VanDerWaalsContact O-N 3.13Å; P579-T583 PolarHBondContact O-OG1 3.18Å; T583-F587 WeakPolarHBondContact O-CB 3.37Å; T583-F587 PolarHBondContact O-N 3.21Å; T583-F587 VanDerWaalsContact O-N 3.14Å; T583-F643 HydrophobicContact CG2-CD1 3.87Å; T583-F643 HydrophobicContact CG2-CE1 3.44Å; T583-F643 VanDerWaalsContact CG2-CE1 3.44Å; T583-F643 HydrophobicContact CG2-CZ 4.03Å; T583-Y648 HydrophobicContact CG2-CD1 4.04Å; T583-Y648 HydrophobicContact CG2-CD2 3.91Å; T583-Y648 HydrophobicContact CG2-CE1 4.39Å; T583-Y648 HydrophobicContact CG2-CE2 4.27Å; T583-Y648 HydrophobicContact CG2-CG 3.8Å |
| 584 | V | 85.9 | Confident | 87.2 | Confident | 46 Ų | 46 | 36.7 Ų | 36.7 | 28% | 0.279 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -68.8 | -45 | 175.6 | 177.8 | 0 | 0 | 0 | 0 | 110.8 | H580 L586 F587 Q588 | H580-V584 WeakPolarHBondContact O-CG2 3.45Å; H580-V584 PolarHBondContact O-N 3.22Å; V584-L586 PolarHBondContact O-N 3.41Å; V584-F587 PolarHBondContact O-N 3.24Å; V584-Q588 HydrophobicContact CG1-CG 4.44Å; V584-Q588 WeakPolarHBondContact O-CG 3.35Å; V584-Q588 PolarHBondContact O-N 3.25Å |
| 585 | L | 87.7 | Confident | 87.4 | Confident | 50 Ų | 50 | 41.2 Ų | 41.2 | 26% | 0.262 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -57.6 | -47.3 | 176.5 | -177.4 | 75.1 | 0 | 0 | 0 | 111.9 | N498 F501 D581 F582 F587 Q588 R589 | N498-L585 VanDerWaalsContact OD1-CD2 3.31Å; N498-L585 WeakPolarHBondContact OD1-CD2 3.32Å; F501-L585 HydrophobicContact CD1-CD2 3.85Å; F501-L585 HydrophobicContact CD1-CG 4.37Å; F501-L585 HydrophobicContact CE1-CD2 4.19Å; F501-L585 HydrophobicContact CE1-CG 4.22Å; D581-L585 VanDerWaalsContact O-CB 3.28Å; D581-L585 WeakPolarHBondContact O-CB 3.39Å; D581-L585 PolarHBondContact O-N 3.19Å; F582-L585 HydrophobicContact CD1-CD2 4.04Å; F582-L585 HydrophobicContact CE1-CD2 4.44Å; F582-L585 PolarHBondContact O-N 3.08Å; L585-F587 VanDerWaalsContact C-N 3.33Å; L585-F587 PolarHBondContact O-N 3.15Å; L585-Q588 PolarHBondContact O-N 3.4Å; L585-R589 WeakPolarHBondContact O-CB 3.43Å; L585-R589 PolarHBondContact O-N 2.97Å |
| 586 | L | 89.9 | Confident | 87.6 | Confident | 4 Ų | 4 | 45.6 Ų | 45.6 | 2% | 0.021 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -60.3 | -44.5 | 179.6 | -174.4 | 168.1 | 0 | 0 | 0 | 110.7 | F582 V584 R589 F590 V635 V636 M639 F643 | F582-L586 WeakPolarHBondContact O-CB 3.3Å; F582-L586 PolarHBondContact O-N 3.16Å; V584-L586 PolarHBondContact O-N 3.41Å; L586-R589 PolarHBondContact O-N 3.09Å; L586-F590 VanDerWaalsContact O-CB 3.3Å; L586-F590 WeakPolarHBondContact O-CB 3.46Å; L586-F590 PolarHBondContact O-N 2.93Å; L586-V635 HydrophobicContact CD1-CG1 3.77Å; L586-V635 HydrophobicContact CG-CG1 4.32Å; L586-V636 HydrophobicContact CD2-CG2 3.53Å; L586-M639 HydrophobicContact CD1-CB 3.99Å; L586-M639 HydrophobicContact CD1-CG 4.09Å; L586-F643 HydrophobicContact CD1-CE2 4.41Å; L586-F643 HydrophobicContact CD1-CZ 4.24Å; L586-F643 HydrophobicContact CD2-CE2 4.19Å; L586-F643 HydrophobicContact CD2-CZ 3.64Å; L586-F643 HydrophobicContact CG-CZ 4.42Å |
| 587 | F | 88.6 | Confident | 88 | Confident | 17 Ų | 17 | 44.3 Ų | 44.3 | 8% | 0.075 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -63.9 | -46 | 177.7 | -179.3 | -98 | 0 | 0 | 0 | 112.5 | T583 V584 L585 R589 F590 Q591 L651 Q654 I655 | T583-F587 WeakPolarHBondContact O-CB 3.37Å; T583-F587 PolarHBondContact O-N 3.21Å; T583-F587 VanDerWaalsContact O-N 3.14Å; V584-F587 PolarHBondContact O-N 3.24Å; L585-F587 VanDerWaalsContact C-N 3.33Å; L585-F587 PolarHBondContact O-N 3.15Å; F587-R589 VanDerWaalsContact C-N 3.35Å; F587-R589 PolarHBondContact O-N 3.31Å; F587-F590 PolarHBondContact O-N 3.01Å; F587-Q591 HydrophobicContact CD1-CG 4.49Å; F587-Q591 VanDerWaalsContact CE1-CD 3.41Å; F587-Q591 HydrophobicContact CE1-CG 4.03Å; F587-Q591 HydrophobicContact CZ-CG 4.07Å; F587-Q591 PolarHBondContact O-N 3.14Å; F587-L651 HydrophobicContact CB-CD1 4.39Å; F587-L651 HydrophobicContact CD1-CD2 3.74Å; F587-L651 HydrophobicContact CD2-CB 3.84Å; F587-L651 HydrophobicContact CD2-CD2 4.07Å; F587-L651 HydrophobicContact CD2-CG 4.41Å; F587-L651 HydrophobicContact CE1-CD2 3.63Å; F587-L651 HydrophobicContact CE2-CB 4.03Å; F587-L651 HydrophobicContact CE2-CD2 3.97Å; F587-L651 HydrophobicContact CG-CB 4.29Å; F587-L651 HydrophobicContact CG-CD1 4.32Å; F587-L651 HydrophobicContact CG-CD2 3.94Å; F587-L651 HydrophobicContact CG-CG 4.42Å; F587-L651 HydrophobicContact CZ-CD2 3.74Å; F587-Q654 HydrophobicContact CE2-CB 4.06Å; F587-Q654 HydrophobicContact CZ-CB 4.22Å; F587-I655 HydrophobicContact CD2-CD1 4.01Å; F587-I655 HydrophobicContact CD2-CG1 3.94Å; F587-I655 HydrophobicContact CE2-CG1 4.09Å |
| 588 | Q | 90.7 | Very high | 88.3 | Confident | 109 Ų | 109 | 44.5 Ų | 44.5 | 51% | 0.509 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -60.4 | -45.4 | 176.8 | -72.6 | 177.9 | -3.4 | 0 | 0 | 111.2 | V584 L585 F590 Q591 C592 | V584-Q588 HydrophobicContact CG1-CG 4.44Å; V584-Q588 WeakPolarHBondContact O-CG 3.35Å; V584-Q588 PolarHBondContact O-N 3.25Å; L585-Q588 PolarHBondContact O-N 3.4Å; Q588-F590 PolarHBondContact O-N 3.36Å; Q588-Q591 PolarHBondContact O-N 3.47Å; Q588-C592 PolarHBondContact O-N 2.98Å; Q588-C592 PolarHBondContact O-SG 3.37Å; Q588-C592 VanDerWaalsContact O-SG 3.39Å |
| 589 | R | 91.2 | Very high | 88.5 | Confident | 66 Ų | 66 | 49.4 Ų | 49.4 | 25% | 0.249 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -65 | -41 | 178.8 | -168.6 | 68.5 | 179.3 | -153.1 | -1.6 | 111.9 | F501 F505 S507 E508 L585 L586 F587 Q591 C592 I593 I632 | F501-R589 HydrophobicContact CE1-CB 3.78Å; F501-R589 HydrophobicContact CE1-CG 3.75Å; F501-R589 HydrophobicContact CZ-CB 3.94Å; F501-R589 HydrophobicContact CZ-CG 4Å; F505-R589 HydrophobicContact CE2-CG 4.37Å; F505-R589 HydrophobicContact CZ-CG 4.42Å; S507-R589 PolarHBondContact OG-NH2 2.88Å; E508-R589 IonicContact OE1-CZ 3.73Å; E508-R589 IonicContact OE1-NH1 2.73Å; E508-R589 PolarHBondContact OE1-NH1 3.03Å; E508-R589 IonicContact OE1-NH2 3.99Å; E508-R589 PolarHBondContact OE1-NH2 2.91Å; L585-R589 WeakPolarHBondContact O-CB 3.43Å; L585-R589 PolarHBondContact O-N 2.97Å; L586-R589 PolarHBondContact O-N 3.09Å; F587-R589 VanDerWaalsContact C-N 3.35Å; F587-R589 PolarHBondContact O-N 3.31Å; R589-Q591 PolarHBondContact O-N 2.94Å; R589-C592 PolarHBondContact O-N 3Å; R589-I593 HydrophobicContact CG-CD1 3.81Å; R589-I593 HydrophobicContact CG-CG1 4.4Å; R589-I593 WeakPolarHBondContact O-CG1 3.34Å; R589-I593 PolarHBondContact O-N 3.29Å; R589-I632 HydrophobicContact CB-CD1 4.49Å; R589-I632 HydrophobicContact CG-CD1 4.42Å |
| 590 | F | 92 | Very high | 88.8 | Confident | 2 Ų | 2 | 46.9 Ų | 46.9 | 1% | 0.009 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -57.6 | -46.8 | 173.8 | 173.5 | -101.1 | 0 | 0 | 0 | 111.9 | L586 F587 Q588 C592 I593 L594 I632 V633 V636 I655 A658 | L586-F590 VanDerWaalsContact O-CB 3.3Å; L586-F590 WeakPolarHBondContact O-CB 3.46Å; L586-F590 PolarHBondContact O-N 2.93Å; F587-F590 PolarHBondContact O-N 3.01Å; Q588-F590 PolarHBondContact O-N 3.36Å; F590-C592 PolarHBondContact O-N 2.94Å; F590-I593 PolarHBondContact O-N 3.45Å; F590-L594 HydrophobicContact CE1-CD2 4.11Å; F590-L594 HydrophobicContact CZ-CD2 4.29Å; F590-L594 WeakPolarHBondContact O-CB 3.43Å; F590-L594 PolarHBondContact O-N 2.9Å; F590-I632 HydrophobicContact CB-CG1 3.96Å; F590-I632 HydrophobicContact CD2-CG1 4.13Å; F590-I632 HydrophobicContact CD2-CG2 4.3Å; F590-V633 HydrophobicContact CE2-CG2 4.48Å; F590-V636 HydrophobicContact CD2-CG2 3.95Å; F590-V636 HydrophobicContact CG-CG2 4.36Å; F590-I655 HydrophobicContact CD1-CG1 4.14Å; F590-I655 HydrophobicContact CE1-CG1 4.13Å; F590-A658 HydrophobicContact CE1-CB 3.72Å; F590-A658 HydrophobicContact CZ-CB 3.8Å |
| 591 | Q | 92.2 | Very high | 89 | Confident | 77 Ų | 77 | 41.5 Ų | 41.5 | 36% | 0.36 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -62.2 | -42.3 | 177.1 | -72.6 | -167.7 | -23.7 | 0 | 0 | 112.5 | F587 Q588 R589 N595 | F587-Q591 HydrophobicContact CD1-CG 4.49Å; F587-Q591 VanDerWaalsContact CE1-CD 3.41Å; F587-Q591 HydrophobicContact CE1-CG 4.03Å; F587-Q591 HydrophobicContact CZ-CG 4.07Å; F587-Q591 PolarHBondContact O-N 3.14Å; Q588-Q591 PolarHBondContact O-N 3.47Å; R589-Q591 PolarHBondContact O-N 2.94Å; Q591-N595 WeakPolarHBondContact O-CB 3.14Å; Q591-N595 PolarHBondContact O-N 3.07Å; Q591-N595 PolarHBondContact O-ND2 3.09Å |
| 592 | C | 92.2 | Very high | 89.1 | Confident | 77 Ų | 77 | 42.8 Ų | 42.8 | 52% | 0.52 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -60.9 | -52.1 | 177.1 | -70.4 | 0 | 0 | 0 | 0 | 112 | Q588 R589 F590 L594 N595 E596 | Q588-C592 PolarHBondContact O-N 2.98Å; Q588-C592 PolarHBondContact O-SG 3.37Å; Q588-C592 VanDerWaalsContact O-SG 3.39Å; R589-C592 PolarHBondContact O-N 3Å; F590-C592 PolarHBondContact O-N 2.94Å; C592-L594 PolarHBondContact O-N 3.4Å; C592-N595 WeakPolarHBondContact O-CB 3.36Å; C592-N595 PolarHBondContact O-N 2.95Å; C592-E596 PolarHBondContact O-N 3.28Å |
| 593 | I | 91.3 | Very high | 88.8 | Confident | 5 Ų | 5 | 45.9 Ų | 45.9 | 3% | 0.026 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -67.7 | -37.3 | -178 | -61.5 | 171.3 | 0 | 0 | 0 | 110.9 | F505 R589 F590 N595 E596 Y597 D628 F629 I632 | F505-I593 HydrophobicContact CD1-CD1 3.99Å; F505-I593 HydrophobicContact CE1-CD1 3.78Å; F505-I593 HydrophobicContact CZ-CD1 4.33Å; R589-I593 HydrophobicContact CG-CD1 3.81Å; R589-I593 HydrophobicContact CG-CG1 4.4Å; R589-I593 WeakPolarHBondContact O-CG1 3.34Å; R589-I593 PolarHBondContact O-N 3.29Å; F590-I593 PolarHBondContact O-N 3.45Å; I593-N595 VanDerWaalsContact C-N 3.32Å; I593-N595 PolarHBondContact O-N 3.43Å; I593-E596 PolarHBondContact O-N 3.06Å; I593-Y597 WeakPolarHBondContact O-CB 3.49Å; I593-Y597 PolarHBondContact O-N 3.25Å; I593-D628 HydrophobicContact CD1-CB 4.34Å; I593-D628 HydrophobicContact CG2-CB 4.28Å; I593-F629 HydrophobicContact CG2-CB 3.86Å; I593-F629 HydrophobicContact CG2-CD2 4.08Å; I593-F629 HydrophobicContact CG2-CG 4.49Å; I593-I632 HydrophobicContact CB-CG2 4.31Å; I593-I632 HydrophobicContact CD1-CB 4.01Å; I593-I632 HydrophobicContact CD1-CG1 4.37Å; I593-I632 HydrophobicContact CD1-CG2 4.15Å; I593-I632 HydrophobicContact CG2-CG2 4.1Å |
| 594 | L | 92 | Very high | 88.5 | Confident | 19 Ų | 19 | 45.8 Ų | 45.8 | 10% | 0.099 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -59.7 | -42.8 | 173.5 | 177.4 | 67.3 | 0 | 0 | 0 | 111.6 | F590 C592 Y597 T598 F629 A658 C662 | F590-L594 HydrophobicContact CE1-CD2 4.11Å; F590-L594 HydrophobicContact CZ-CD2 4.29Å; F590-L594 WeakPolarHBondContact O-CB 3.43Å; F590-L594 PolarHBondContact O-N 2.9Å; C592-L594 PolarHBondContact O-N 3.4Å; L594-Y597 PolarHBondContact O-N 3Å; L594-T598 HydrophobicContact CD1-CG2 4.21Å; L594-T598 HydrophobicContact CG-CG2 4.47Å; L594-T598 WeakPolarHBondContact O-CB 3.5Å; L594-T598 VanDerWaalsContact O-CG2 3.23Å; L594-T598 WeakPolarHBondContact O-CG2 3.17Å; L594-T598 PolarHBondContact O-N 3.42Å; L594-T598 PolarHBondContact O-OG1 2.83Å; L594-F629 HydrophobicContact CB-CE2 4.47Å; L594-F629 HydrophobicContact CD1-CE2 3.84Å; L594-F629 HydrophobicContact CD1-CZ 4.26Å; L594-A658 HydrophobicContact CD2-CB 3.68Å; L594-C662 WeakPolarHBondContact CD1-SG 3.39Å |
| 595 | N | 91.7 | Very high | 88 | Confident | 96 Ų | 96 | 44.6 Ų | 44.6 | 51% | 0.513 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -63.9 | -41.2 | 176 | -72.2 | -23.4 | 0 | 0 | 0 | 111.3 | Q591 C592 I593 T598 L599 | Q591-N595 WeakPolarHBondContact O-CB 3.14Å; Q591-N595 PolarHBondContact O-N 3.07Å; Q591-N595 PolarHBondContact O-ND2 3.09Å; C592-N595 WeakPolarHBondContact O-CB 3.36Å; C592-N595 PolarHBondContact O-N 2.95Å; I593-N595 VanDerWaalsContact C-N 3.32Å; I593-N595 PolarHBondContact O-N 3.43Å; N595-T598 WeakPolarHBondContact CA-OG1 3.37Å; N595-T598 PolarHBondContact O-N 2.85Å; N595-T598 PolarHBondContact O-OG1 2.7Å; N595-L599 VanDerWaalsContact O-CB 3.32Å; N595-L599 WeakPolarHBondContact O-CB 3.39Å; N595-L599 WeakPolarHBondContact O-CG 3.42Å; N595-L599 PolarHBondContact O-N 3.05Å |
| 596 | E | 89.5 | Confident | 87.5 | Confident | 95 Ų | 95 | 42.3 Ų | 42.3 | 44% | 0.444 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -63.6 | -44.2 | 174.7 | -68.3 | -165.3 | 157.9 | 0 | 0 | 112.5 | C592 I593 L599 L600 I625 | C592-E596 PolarHBondContact O-N 3.28Å; I593-E596 PolarHBondContact O-N 3.06Å; E596-L599 PolarHBondContact O-N 3.39Å; E596-L600 WeakPolarHBondContact O-CB 3.35Å; E596-L600 PolarHBondContact O-N 3.33Å; E596-I625 HydrophobicContact CB-CG2 4.21Å |
| 597 | Y | 90.5 | Very high | 86.7 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -60.7 | -46.9 | 176.4 | 175.4 | -113.8 | 0 | 0 | 0 | 111.8 | I593 L594 L599 L600 V601 L626 F629 N666 I669 F685 V688 | I593-Y597 WeakPolarHBondContact O-CB 3.49Å; I593-Y597 PolarHBondContact O-N 3.25Å; L594-Y597 PolarHBondContact O-N 3Å; Y597-L599 PolarHBondContact O-N 2.88Å; Y597-L600 WeakPolarHBondContact O-CB 3.43Å; Y597-L600 PolarHBondContact O-N 3.46Å; Y597-V601 HydrophobicContact CD2-CG2 4.23Å; Y597-V601 HydrophobicContact CE1-CG2 4.2Å; Y597-V601 HydrophobicContact CE2-CG2 3.75Å; Y597-V601 WeakPolarHBondContact O-CG2 3.49Å; Y597-V601 PolarHBondContact O-N 3.1Å; Y597-L626 HydrophobicContact CD2-CD2 3.95Å; Y597-L626 HydrophobicContact CE2-CD2 3.74Å; Y597-F629 HydrophobicContact CD1-CD1 4.1Å; Y597-F629 HydrophobicContact CD1-CD2 4.47Å; Y597-F629 AromaticContact CD1-CE1 3.93Å; Y597-F629 HydrophobicContact CD1-CE1 3.93Å; Y597-F629 HydrophobicContact CD1-CE2 4.32Å; Y597-F629 HydrophobicContact CD1-CG 4.37Å; Y597-F629 HydrophobicContact CD1-CZ 4.06Å; Y597-F629 HydrophobicContact CD2-CD1 4.19Å; Y597-F629 HydrophobicContact CD2-CG 4.35Å; Y597-F629 HydrophobicContact CE1-CD1 4.35Å; Y597-F629 AromaticContact CE1-CE1 3.99Å; Y597-F629 HydrophobicContact CE1-CE1 3.99Å; Y597-F629 HydrophobicContact CE1-CZ 4.4Å; Y597-F629 HydrophobicContact CE2-CD1 4.44Å; Y597-F629 HydrophobicContact CG-CD1 4.01Å; Y597-F629 HydrophobicContact CG-CD2 4.29Å; Y597-F629 HydrophobicContact CG-CE1 4.32Å; Y597-F629 HydrophobicContact CG-CG 4Å; Y597-N666 PolarHBondContact OH-OD1 3.37Å; Y597-I669 WeakPolarHBondContact OH-CD1 3.44Å; Y597-F685 HydrophobicContact CE2-CE1 4.19Å; Y597-V688 HydrophobicContact CE2-CG1 4.09Å |
| 598 | T | 88.4 | Confident | 85.8 | Confident | 19 Ų | 19 | 49.5 Ų | 49.5 | 12% | 0.117 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -66.8 | -38.7 | 179.9 | 55.1 | 0 | 0 | 0 | 0 | 112.2 | L594 N595 V601 N602 Y661 L665 | L594-T598 HydrophobicContact CD1-CG2 4.21Å; L594-T598 HydrophobicContact CG-CG2 4.47Å; L594-T598 WeakPolarHBondContact O-CB 3.5Å; L594-T598 VanDerWaalsContact O-CG2 3.23Å; L594-T598 WeakPolarHBondContact O-CG2 3.17Å; L594-T598 PolarHBondContact O-N 3.42Å; L594-T598 PolarHBondContact O-OG1 2.83Å; N595-T598 WeakPolarHBondContact CA-OG1 3.37Å; N595-T598 PolarHBondContact O-N 2.85Å; N595-T598 PolarHBondContact O-OG1 2.7Å; T598-V601 PolarHBondContact O-N 3.07Å; T598-N602 WeakPolarHBondContact O-CB 3.36Å; T598-N602 PolarHBondContact O-N 3.07Å; T598-N602 PolarHBondContact O-ND2 2.89Å; T598-N602 VanDerWaalsContact O-ND2 3.17Å; T598-Y661 HydrophobicContact CG2-CE1 3.79Å; T598-L665 HydrophobicContact CG2-CD1 3.99Å |
| 599 | L | 87.4 | Confident | 84.8 | Confident | 115 Ų | 115 | 45.5 Ų | 45.5 | 60% | 0.602 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -64.7 | -39 | 172.4 | -72.6 | 171.3 | 0 | 0 | 0 | 112.1 | N595 E596 Y597 N602 S603 | N595-L599 VanDerWaalsContact O-CB 3.32Å; N595-L599 WeakPolarHBondContact O-CB 3.39Å; N595-L599 WeakPolarHBondContact O-CG 3.42Å; N595-L599 PolarHBondContact O-N 3.05Å; E596-L599 PolarHBondContact O-N 3.39Å; Y597-L599 PolarHBondContact O-N 2.88Å; L599-N602 PolarHBondContact O-N 3.07Å; L599-S603 VanDerWaalsContact O-CB 3.25Å; L599-S603 WeakPolarHBondContact O-CB 3.36Å; L599-S603 PolarHBondContact O-N 2.68Å; L599-S603 PolarHBondContact O-OG 3.08Å |
| 600 | L | 87.2 | Confident | 83.7 | Confident | 5 Ų | 5 | 46.2 Ų | 46.2 | 3% | 0.026 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -60.8 | -50.1 | 174.2 | -175.3 | 93.9 | 0 | 0 | 0 | 110.9 | E596 Y597 N602 S603 T604 P614 V622 I625 L626 F685 | E596-L600 WeakPolarHBondContact O-CB 3.35Å; E596-L600 PolarHBondContact O-N 3.33Å; Y597-L600 WeakPolarHBondContact O-CB 3.43Å; Y597-L600 PolarHBondContact O-N 3.46Å; L600-N602 VanDerWaalsContact C-N 3.33Å; L600-N602 PolarHBondContact O-N 3.49Å; L600-S603 PolarHBondContact O-N 3.24Å; L600-S603 PolarHBondContact O-OG 3.43Å; L600-S603 VanDerWaalsContact O-OG 3.07Å; L600-T604 HydrophobicContact CG-CG2 4.46Å; L600-T604 WeakPolarHBondContact O-CB 3.33Å; L600-T604 WeakPolarHBondContact O-CG2 3.48Å; L600-T604 PolarHBondContact O-N 2.94Å; L600-T604 PolarHBondContact O-OG1 3.48Å; L600-P614 HydrophobicContact CD1-CG 4.5Å; L600-V622 HydrophobicContact CD1-CB 4.43Å; L600-V622 HydrophobicContact CD1-CG1 4.01Å; L600-V622 HydrophobicContact CD1-CG2 4.14Å; L600-V622 HydrophobicContact CD2-CG1 4.18Å; L600-I625 HydrophobicContact CD1-CD1 4.1Å; L600-I625 HydrophobicContact CD2-CG2 4.4Å; L600-L626 HydrophobicContact CD2-CD2 3.79Å; L600-L626 HydrophobicContact CD2-CG 4.09Å; L600-F685 HydrophobicContact CD2-CZ 4.24Å |
| 601 | V | 85.3 | Confident | 82.9 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -62 | -41.1 | 179.2 | 172.7 | 0 | 0 | 0 | 0 | 111.4 | Y597 T598 T604 L607 I669 F685 | Y597-V601 HydrophobicContact CD2-CG2 4.23Å; Y597-V601 HydrophobicContact CE1-CG2 4.2Å; Y597-V601 HydrophobicContact CE2-CG2 3.75Å; Y597-V601 WeakPolarHBondContact O-CG2 3.49Å; Y597-V601 PolarHBondContact O-N 3.1Å; T598-V601 PolarHBondContact O-N 3.07Å; V601-T604 PolarHBondContact O-OG1 3.41Å; V601-L607 HydrophobicContact CG1-CD1 4.44Å; V601-L607 HydrophobicContact CG1-CD2 4.1Å; V601-L607 HydrophobicContact CG1-CG 4.09Å; V601-I669 HydrophobicContact CG1-CD1 3.88Å; V601-I669 HydrophobicContact CG1-CG1 4.27Å; V601-I669 HydrophobicContact CG2-CD1 3.74Å; V601-F685 HydrophobicContact CG2-CE1 4.47Å |
| 602 | N | 84.3 | Confident | 82.1 | Confident | 91 Ų | 91 | 48.3 Ų | 48.3 | 49% | 0.487 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -70.4 | -38.6 | 179.4 | -72.3 | -25.5 | 0 | 0 | 0 | 112.8 | T598 L599 L600 L607 | T598-N602 WeakPolarHBondContact O-CB 3.36Å; T598-N602 PolarHBondContact O-N 3.07Å; T598-N602 PolarHBondContact O-ND2 2.89Å; T598-N602 VanDerWaalsContact O-ND2 3.17Å; L599-N602 PolarHBondContact O-N 3.07Å; L600-N602 VanDerWaalsContact C-N 3.33Å; L600-N602 PolarHBondContact O-N 3.49Å; N602-L607 WeakPolarHBondContact OD1-CD1 3.28Å |
| 603 | S | 81.3 | Confident | 81.2 | Confident | 68 Ų | 68 | 48.5 Ų | 48.5 | 48% | 0.476 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -76 | -27 | -178.2 | 59.7 | 0 | 0 | 0 | 0 | 113.7 | L599 L600 G605 | L599-S603 VanDerWaalsContact O-CB 3.25Å; L599-S603 WeakPolarHBondContact O-CB 3.36Å; L599-S603 PolarHBondContact O-N 2.68Å; L599-S603 PolarHBondContact O-OG 3.08Å; L600-S603 PolarHBondContact O-N 3.24Å; L600-S603 PolarHBondContact O-OG 3.43Å; L600-S603 VanDerWaalsContact O-OG 3.07Å; S603-G605 VanDerWaalsContact C-N 3.29Å; S603-G605 PolarHBondContact O-N 3.16Å |
| 604 | T | 79.7 | Confident | 80.2 | Confident | 1 Ų | 1 | 49.1 Ų | 49.1 | 1% | 0.006 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | -14.7 | -178.6 | 47.5 | 0 | 0 | 0 | 0 | 113.7 | L600 V601 L606 V610 F611 N612 | L600-T604 HydrophobicContact CG-CG2 4.46Å; L600-T604 WeakPolarHBondContact O-CB 3.33Å; L600-T604 WeakPolarHBondContact O-CG2 3.48Å; L600-T604 PolarHBondContact O-N 2.94Å; L600-T604 PolarHBondContact O-OG1 3.48Å; V601-T604 PolarHBondContact O-OG1 3.41Å; T604-L606 PolarHBondContact O-N 3.15Å; T604-L606 WeakPolarHBondContact OG1-CD1 2.89Å; T604-V610 VanDerWaalsContact O-O 3.11Å; T604-F611 HydrophobicContact CG2-CD2 4.27Å; T604-F611 HydrophobicContact CG2-CE2 3.61Å; T604-F611 HydrophobicContact CG2-CZ 4.04Å; T604-N612 WeakPolarHBondContact CA-O 2.79Å; T604-N612 WeakPolarHBondContact CB-O 3.41Å; T604-N612 WeakPolarHBondContact CG2-O 3.38Å; T604-N612 PolarHBondContact O-N 2.92Å |
| 605 | G | 75.1 | Confident | 79 | Confident | 20 Ų | 20 | 58.5 Ų | 58.5 | 21% | 0.206 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 71.5 | 9.3 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | S603 L607 S608 V610 | S603-G605 VanDerWaalsContact C-N 3.29Å; S603-G605 PolarHBondContact O-N 3.16Å; G605-L607 PolarHBondContact O-N 2.96Å; G605-S608 PolarHBondContact O-N 2.98Å; G605-S608 PolarHBondContact O-OG 3.39Å; G605-V610 CarbonylContact C-O 3.57Å |
| 606 | L | 76.6 | Confident | 77.8 | Confident | 2 Ų | 2 | 58 Ų | 58 | 1% | 0.01 | 34% | 0.337 | C | S | . | . | G | 310 helix | trans | -51 | -34.6 | 179.2 | -111.4 | 145.7 | 0 | 0 | 0 | 113 | T604 S608 G609 V610 F611 I669 A672 F685 | T604-L606 PolarHBondContact O-N 3.15Å; T604-L606 WeakPolarHBondContact OG1-CD1 2.89Å; L606-S608 VanDerWaalsContact C-N 3.28Å; L606-S608 PolarHBondContact O-N 3Å; L606-G609 PolarHBondContact O-N 3.05Å; L606-V610 PolarHBondContact N-O 3.36Å; L606-F611 HydrophobicContact CD1-CD2 3.35Å; L606-F611 HydrophobicContact CD1-CE2 3.57Å; L606-F611 HydrophobicContact CG-CD2 3.75Å; L606-F611 HydrophobicContact CG-CE2 4.45Å; L606-I669 HydrophobicContact CD2-CB 4.37Å; L606-I669 HydrophobicContact CD2-CG1 4.27Å; L606-I669 HydrophobicContact CD2-CG2 3.86Å; L606-A672 HydrophobicContact CD2-CB 3.94Å; L606-F685 HydrophobicContact CD1-CE1 4.12Å; L606-F685 HydrophobicContact CD1-CE2 3.98Å; L606-F685 HydrophobicContact CD1-CZ 3.5Å |
| 607 | L | 72.9 | Confident | 77.1 | Confident | 77 Ų | 77 | 56.5 Ų | 56.5 | 40% | 0.403 | 33% | 0.33 | S | S | . | . | G | 310 helix | trans | -67 | -23.7 | 177.7 | -60.4 | 175.8 | 0 | 0 | 0 | 113.8 | V601 N602 G605 G609 L665 L668 | V601-L607 HydrophobicContact CG1-CD1 4.44Å; V601-L607 HydrophobicContact CG1-CD2 4.1Å; V601-L607 HydrophobicContact CG1-CG 4.09Å; N602-L607 WeakPolarHBondContact OD1-CD1 3.28Å; G605-L607 PolarHBondContact O-N 2.96Å; L607-G609 VanDerWaalsContact C-N 3.32Å; L607-L665 HydrophobicContact CD2-CD2 4.32Å; L607-L668 HydrophobicContact CD2-CB 4.11Å; L607-L668 HydrophobicContact CD2-CD1 4.12Å |
| 608 | S | 71.5 | Confident | 76.6 | Confident | 96 Ų | 96 | 58.5 Ų | 58.5 | 67% | 0.671 | 34% | 0.343 | S | S | * | . | G | 310 helix | trans | -90.8 | 4.2 | 172.5 | 68.6 | 0 | 0 | 0 | 0 | 113 | G605 L606 | G605-S608 PolarHBondContact O-N 2.98Å; G605-S608 PolarHBondContact O-OG 3.39Å; L606-S608 VanDerWaalsContact C-N 3.28Å; L606-S608 PolarHBondContact O-N 3Å |
| 609 | G | 67.7 | Low | 76.1 | Confident | 25 Ų | 25 | 60.1 Ų | 60.1 | 26% | 0.258 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.7 | -1.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | L606 L607 N675 | L606-G609 PolarHBondContact O-N 3.05Å; L607-G609 VanDerWaalsContact C-N 3.32Å; G609-N675 PolarHBondContact O-ND2 2.94Å |
| 610 | V | 68.7 | Low | 75.8 | Confident | 81 Ų | 81 | 61 Ų | 61 | 49% | 0.491 | 35% | 0.349 | S | S | . | . | trans | -116.3 | 127.5 | 178.8 | -178.2 | 0 | 0 | 0 | 0 | 109.8 | T604 G605 L606 | T604-V610 VanDerWaalsContact O-O 3.11Å; G605-V610 CarbonylContact C-O 3.57Å; L606-V610 PolarHBondContact N-O 3.36Å | ||
| 611 | F | 74.5 | Confident | 75.7 | Confident | 25 Ų | 25 | 66.9 Ų | 66.9 | 11% | 0.11 | 37% | 0.371 | C | S | . | . | trans | -88.4 | 111.9 | 174.3 | -173.5 | -96.4 | 0 | 0 | 0 | 110.8 | T604 L606 Y613 I676 I681 F685 | T604-F611 HydrophobicContact CG2-CD2 4.27Å; T604-F611 HydrophobicContact CG2-CE2 3.61Å; T604-F611 HydrophobicContact CG2-CZ 4.04Å; L606-F611 HydrophobicContact CD1-CD2 3.35Å; L606-F611 HydrophobicContact CD1-CE2 3.57Å; L606-F611 HydrophobicContact CG-CD2 3.75Å; L606-F611 HydrophobicContact CG-CE2 4.45Å; F611-Y613 HydrophobicContact CD1-CD2 4.33Å; F611-Y613 HydrophobicContact CD1-CE2 4.03Å; F611-Y613 HydrophobicContact CE1-CD1 4.07Å; F611-Y613 AromaticContact CE1-CD2 3.9Å; F611-Y613 HydrophobicContact CE1-CD2 3.9Å; F611-Y613 AromaticContact CE1-CE1 3.84Å; F611-Y613 HydrophobicContact CE1-CE1 3.84Å; F611-Y613 AromaticContact CE1-CE2 3.61Å; F611-Y613 HydrophobicContact CE1-CE2 3.61Å; F611-Y613 HydrophobicContact CE1-CG 4.09Å; F611-Y613 AromaticContact CE1-CZ 3.55Å; F611-Y613 HydrophobicContact CZ-CE1 4.4Å; F611-I676 HydrophobicContact CB-CG1 4.1Å; F611-I676 HydrophobicContact CD2-CD1 4.24Å; F611-I676 HydrophobicContact CD2-CG1 4.11Å; F611-I676 HydrophobicContact CG-CG1 4.02Å; F611-I681 HydrophobicContact CZ-CG2 4.18Å; F611-F685 HydrophobicContact CE2-CE2 4Å; F611-F685 HydrophobicContact CE2-CZ 4.37Å | ||
| 612 | N | 75.4 | Confident | 75.8 | Confident | 97 Ų | 97 | 66.9 Ų | 66.9 | 52% | 0.519 | 37% | 0.371 | S | S | . | . | trans | -110.8 | 132.8 | 169 | -68.7 | -43.3 | 0 | 0 | 0 | 109.4 | T604 | T604-N612 WeakPolarHBondContact CA-O 2.79Å; T604-N612 WeakPolarHBondContact CB-O 3.41Å; T604-N612 WeakPolarHBondContact CG2-O 3.38Å; T604-N612 PolarHBondContact O-N 2.92Å | ||
| 613 | Y | 74.6 | Confident | 75.9 | Confident | 82 Ų | 82 | 63 Ų | 63 | 32% | 0.322 | 35% | 0.35 | S | S | . | . | P | Polyproline II helix | trans | -64 | 135.3 | 172.1 | -73.1 | -94 | 0 | 0 | 0 | 110.2 | F611 K615 V619 E678 I681 | F611-Y613 HydrophobicContact CD1-CD2 4.33Å; F611-Y613 HydrophobicContact CD1-CE2 4.03Å; F611-Y613 HydrophobicContact CE1-CD1 4.07Å; F611-Y613 AromaticContact CE1-CD2 3.9Å; F611-Y613 HydrophobicContact CE1-CD2 3.9Å; F611-Y613 AromaticContact CE1-CE1 3.84Å; F611-Y613 HydrophobicContact CE1-CE1 3.84Å; F611-Y613 AromaticContact CE1-CE2 3.61Å; F611-Y613 HydrophobicContact CE1-CE2 3.61Å; F611-Y613 HydrophobicContact CE1-CG 4.09Å; F611-Y613 AromaticContact CE1-CZ 3.55Å; F611-Y613 HydrophobicContact CZ-CE1 4.4Å; Y613-K615 PolarHBondContact O-N 3.22Å; Y613-V619 HydrophobicContact CE1-CG2 4.19Å; Y613-E678 WeakPolarHBondContact OH-CB 3.38Å; Y613-E678 WeakPolarHBondContact OH-CG 3.39Å; Y613-E678 PolarHBondContact OH-OE1 3.45Å; Y613-E678 PolarHBondContact OH-OE2 3.04Å; Y613-I681 HydrophobicContact CD1-CD1 4.47Å; Y613-I681 HydrophobicContact CE1-CD1 3.4Å; Y613-I681 VanDerWaalsContact CE1-CD1 3.4Å |
| 614 | P | 69.4 | Low | 76.2 | Confident | 17 Ų | 17 | 62.7 Ų | 62.7 | 11% | 0.11 | 34% | 0.338 | C | S | . | . | P | Polyproline II helix | trans | -58.6 | 128 | 171.7 | 19.9 | -26.3 | 0 | 0 | 0 | 109 | L600 G616 Q617 V622 | L600-P614 HydrophobicContact CD1-CG 4.5Å; P614-G616 PolarHBondContact O-N 3.2Å; P614-G616 VanDerWaalsContact O-N 3.1Å; P614-Q617 HydrophobicContact CG-CB 4.17Å; P614-Q617 HydrophobicContact CG-CG 4.35Å; P614-Q617 PolarHBondContact O-N 3.49Å; P614-V622 HydrophobicContact CG-CG2 4.43Å |
| 615 | K | 66.9 | Low | 76.7 | Confident | 217 Ų | 217 | 63.4 Ų | 63.4 | 94% | 0.943 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.1 | 118.8 | -173.6 | -69.2 | -177.5 | 179.5 | 178.7 | 0 | 110.6 | Y613 | Y613-K615 PolarHBondContact O-N 3.22Š|
| 616 | G | 66.6 | Low | 77.4 | Confident | 85 Ų | 85 | 62.4 Ų | 62.4 | 88% | 0.876 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 89.2 | 2.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | P614 | P614-G616 PolarHBondContact O-N 3.2Å; P614-G616 VanDerWaalsContact O-N 3.1Å |
| 617 | Q | 74.9 | Confident | 78 | Confident | 64 Ų | 64 | 62.4 Ų | 62.4 | 30% | 0.299 | 33% | 0.332 | S | S | . | . | trans | -95.2 | 133.1 | 172.9 | -67.3 | -169.4 | -10.6 | 0 | 0 | 111.6 | P614 | P614-Q617 HydrophobicContact CG-CB 4.17Å; P614-Q617 HydrophobicContact CG-CG 4.35Å; P614-Q617 PolarHBondContact O-N 3.49Å | ||
| 618 | P | 79.4 | Confident | 78.9 | Confident | 42 Ų | 42 | 58.9 Ų | 58.9 | 27% | 0.273 | 31% | 0.313 | S | S | . | . | trans | -76.1 | 155.7 | 175.2 | 31.9 | -33.9 | 0 | 0 | 0 | 111.6 | Y620 R621 V622 | P618-Y620 VanDerWaalsContact C-N 3.3Å; P618-Y620 HydrophobicContact CB-CD1 3.68Å; P618-Y620 HydrophobicContact CB-CE1 3.22Å; P618-Y620 HydrophobicContact CB-CE2 4.29Å; P618-Y620 HydrophobicContact CB-CG 4.38Å; P618-Y620 HydrophobicContact CG-CD1 4.03Å; P618-Y620 HydrophobicContact CG-CD2 4.16Å; P618-Y620 HydrophobicContact CG-CE1 3.44Å; P618-Y620 VanDerWaalsContact CG-CE1 3.44Å; P618-Y620 HydrophobicContact CG-CE2 3.57Å; P618-Y620 HydrophobicContact CG-CG 4.37Å; P618-Y620 WeakPolarHBondContact CG-OH 3.41Å; P618-Y620 PolarHBondContact O-N 3.26Å; P618-R621 HydrophobicContact CG-CB 3.96Å; P618-R621 WeakPolarHBondContact O-CB 3.27Å; P618-R621 PolarHBondContact O-N 2.96Å; P618-V622 PolarHBondContact O-N 2.86Å | ||
| 619 | V | 79.3 | Confident | 79.9 | Confident | 53 Ų | 53 | 54.3 Ų | 54.3 | 32% | 0.321 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -51.1 | -45.2 | -177.7 | 172.5 | 0 | 0 | 0 | 0 | 112.8 | Y613 R621 V622 H623 E678 I681 | Y613-V619 HydrophobicContact CE1-CG2 4.19Å; V619-R621 VanDerWaalsContact C-N 3.26Å; V619-R621 PolarHBondContact O-N 2.91Å; V619-V622 PolarHBondContact O-N 3.48Å; V619-H623 PolarHBondContact O-N 3.31Å; V619-E678 WeakPolarHBondContact CG1-OE2 3.48Å; V619-E678 WeakPolarHBondContact CG2-OE1 3.34Å; V619-E678 VanDerWaalsContact CG2-OE2 3.31Å; V619-E678 WeakPolarHBondContact CG2-OE2 3.48Å; V619-I681 HydrophobicContact CG1-CD1 4.08Å; V619-I681 HydrophobicContact CG1-CG1 4.26Å |
| 620 | Y | 81.6 | Confident | 81.1 | Confident | 133 Ų | 133 | 53.4 Ų | 53.4 | 52% | 0.522 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -62.7 | -31.7 | -179.7 | 59.2 | -97.7 | 0 | 0 | 0 | 112.6 | P618 H623 W624 | P618-Y620 VanDerWaalsContact C-N 3.3Å; P618-Y620 HydrophobicContact CB-CD1 3.68Å; P618-Y620 HydrophobicContact CB-CE1 3.22Å; P618-Y620 HydrophobicContact CB-CE2 4.29Å; P618-Y620 HydrophobicContact CB-CG 4.38Å; P618-Y620 HydrophobicContact CG-CD1 4.03Å; P618-Y620 HydrophobicContact CG-CD2 4.16Å; P618-Y620 HydrophobicContact CG-CE1 3.44Å; P618-Y620 VanDerWaalsContact CG-CE1 3.44Å; P618-Y620 HydrophobicContact CG-CE2 3.57Å; P618-Y620 HydrophobicContact CG-CG 4.37Å; P618-Y620 WeakPolarHBondContact CG-OH 3.41Å; P618-Y620 PolarHBondContact O-N 3.26Å; Y620-H623 WeakPolarHBondContact O-CB 3.39Å; Y620-H623 PolarHBondContact O-N 3.49Å; Y620-W624 HydrophobicContact CD2-CD2 4.32Å; Y620-W624 HydrophobicContact CD2-CE3 4.26Å; Y620-W624 AromaticContact CD2-CH2 3.62Å; Y620-W624 HydrophobicContact CD2-CH2 3.62Å; Y620-W624 AromaticContact CD2-CZ2 3.68Å; Y620-W624 HydrophobicContact CD2-CZ2 3.68Å; Y620-W624 AromaticContact CD2-CZ3 3.92Å; Y620-W624 HydrophobicContact CD2-CZ3 3.92Å; Y620-W624 AromaticContact CE2-CH2 3.87Å; Y620-W624 HydrophobicContact CE2-CH2 3.87Å; Y620-W624 HydrophobicContact CE2-CZ2 4.36Å; Y620-W624 HydrophobicContact CE2-CZ3 4.09Å; Y620-W624 HydrophobicContact CG-CZ2 4.45Å; Y620-W624 VanDerWaalsContact O-CD1 3.23Å; Y620-W624 PolarHBondContact O-N 2.95Å |
| 621 | R | 84.7 | Confident | 82.1 | Confident | 128 Ų | 128 | 49.7 Ų | 49.7 | 48% | 0.483 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -69.5 | -38.8 | 178 | -173.2 | 172 | -175.2 | 160.2 | 3.5 | 111.7 | P618 V619 H623 W624 I625 | P618-R621 HydrophobicContact CG-CB 3.96Å; P618-R621 WeakPolarHBondContact O-CB 3.27Å; P618-R621 PolarHBondContact O-N 2.96Å; V619-R621 VanDerWaalsContact C-N 3.26Å; V619-R621 PolarHBondContact O-N 2.91Å; R621-H623 VanDerWaalsContact C-N 3.33Å; R621-W624 PolarHBondContact O-N 3.25Å; R621-I625 HydrophobicContact CG-CD1 4.4Å; R621-I625 WeakPolarHBondContact O-CG1 3.48Å; R621-I625 PolarHBondContact O-N 3.36Å; R621-I625 VanDerWaalsContact O-N 3.15Å |
| 622 | V | 86.3 | Confident | 83 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63.9 | -43.2 | 173.7 | 177.4 | 0 | 0 | 0 | 0 | 110.2 | L600 P614 P618 V619 I625 L626 I681 | L600-V622 HydrophobicContact CD1-CB 4.43Å; L600-V622 HydrophobicContact CD1-CG1 4.01Å; L600-V622 HydrophobicContact CD1-CG2 4.14Å; L600-V622 HydrophobicContact CD2-CG1 4.18Å; P614-V622 HydrophobicContact CG-CG2 4.43Å; P618-V622 PolarHBondContact O-N 2.86Å; V619-V622 PolarHBondContact O-N 3.48Å; V622-I625 PolarHBondContact O-N 3.37Å; V622-L626 HydrophobicContact CG1-CD1 4.17Å; V622-L626 WeakPolarHBondContact O-CG 3.32Å; V622-L626 PolarHBondContact O-N 3.47Å; V622-I681 HydrophobicContact CB-CD1 4.11Å; V622-I681 HydrophobicContact CG1-CD1 3.92Å; V622-I681 HydrophobicContact CG1-CG1 4.36Å; V622-I681 HydrophobicContact CG1-CG2 4.28Å |
| 623 | H | 86.9 | Confident | 83.8 | Confident | 10 Ų | 10 | 43.9 Ų | 43.9 | 5% | 0.046 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -57.9 | -47.7 | 174.9 | 174.2 | 66.6 | 0 | 0 | 0 | 112.8 | V619 Y620 R621 I625 L626 R627 L680 S684 | V619-H623 PolarHBondContact O-N 3.31Å; Y620-H623 WeakPolarHBondContact O-CB 3.39Å; Y620-H623 PolarHBondContact O-N 3.49Å; R621-H623 VanDerWaalsContact C-N 3.33Å; H623-I625 PolarHBondContact O-N 3.47Å; H623-L626 PolarHBondContact O-N 3.46Å; H623-R627 VanDerWaalsContact CE1-CG 3.44Å; H623-R627 WeakPolarHBondContact CE1-CG 3.26Å; H623-R627 PolarHBondContact CE1-NE 3.46Å; H623-R627 PolarHBondContact O-N 2.92Å; H623-L680 HydrophobicContact CB-CD2 3.48Å; H623-L680 VanDerWaalsContact CB-CD2 3.48Å; H623-L680 VanDerWaalsContact CG-CD2 3.41Å; H623-L680 VanDerWaalsContact ND1-CD2 3.34Å; H623-L680 WeakPolarHBondContact ND1-CD2 3.31Å; H623-S684 PolarHBondContact CE1-OG 2.93Å; H623-S684 PolarHBondContact ND1-OG 3.13Å |
| 624 | W | 88.3 | Confident | 84.5 | Confident | 61 Ų | 61 | 42.6 Ų | 42.6 | 23% | 0.231 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -60.4 | -45.1 | 179 | -62 | -16.3 | 0 | 0 | 0 | 112.1 | Y506 Y620 R621 L626 R627 D628 | Y506-W624 AromaticContact CD1-CD1 3.81Å; Y620-W624 HydrophobicContact CD2-CD2 4.32Å; Y620-W624 HydrophobicContact CD2-CE3 4.26Å; Y620-W624 AromaticContact CD2-CH2 3.62Å; Y620-W624 HydrophobicContact CD2-CH2 3.62Å; Y620-W624 AromaticContact CD2-CZ2 3.68Å; Y620-W624 HydrophobicContact CD2-CZ2 3.68Å; Y620-W624 AromaticContact CD2-CZ3 3.92Å; Y620-W624 HydrophobicContact CD2-CZ3 3.92Å; Y620-W624 AromaticContact CE2-CH2 3.87Å; Y620-W624 HydrophobicContact CE2-CH2 3.87Å; Y620-W624 HydrophobicContact CE2-CZ2 4.36Å; Y620-W624 HydrophobicContact CE2-CZ3 4.09Å; Y620-W624 HydrophobicContact CG-CZ2 4.45Å; Y620-W624 VanDerWaalsContact O-CD1 3.23Å; Y620-W624 PolarHBondContact O-N 2.95Å; R621-W624 PolarHBondContact O-N 3.25Å; W624-L626 VanDerWaalsContact C-N 3.27Å; W624-L626 PolarHBondContact O-N 3.05Å; W624-R627 PolarHBondContact O-N 2.97Å; W624-D628 VanDerWaalsContact O-CB 3.24Å; W624-D628 WeakPolarHBondContact O-CB 3.48Å; W624-D628 PolarHBondContact O-N 3.14Å |
| 625 | I | 89.3 | Confident | 85.5 | Confident | 16 Ų | 16 | 42 Ų | 42 | 8% | 0.082 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -58.5 | -42.1 | 177.4 | -66.2 | 164.2 | 0 | 0 | 0 | 110.9 | E596 L600 R621 V622 H623 F629 | E596-I625 HydrophobicContact CB-CG2 4.21Å; L600-I625 HydrophobicContact CD1-CD1 4.1Å; L600-I625 HydrophobicContact CD2-CG2 4.4Å; R621-I625 HydrophobicContact CG-CD1 4.4Å; R621-I625 WeakPolarHBondContact O-CG1 3.48Å; R621-I625 PolarHBondContact O-N 3.36Å; R621-I625 VanDerWaalsContact O-N 3.15Å; V622-I625 PolarHBondContact O-N 3.37Å; H623-I625 PolarHBondContact O-N 3.47Å; I625-F629 WeakPolarHBondContact O-CB 3.14Å; I625-F629 PolarHBondContact O-N 2.84Å |
| 626 | L | 90.4 | Very high | 86.5 | Confident | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -69.4 | -43.5 | 179.2 | -66.8 | 172 | 0 | 0 | 0 | 112.2 | Y597 L600 V622 H623 W624 F629 A630 I681 F685 V688 | Y597-L626 HydrophobicContact CD2-CD2 3.95Å; Y597-L626 HydrophobicContact CE2-CD2 3.74Å; L600-L626 HydrophobicContact CD2-CD2 3.79Å; L600-L626 HydrophobicContact CD2-CG 4.09Å; V622-L626 HydrophobicContact CG1-CD1 4.17Å; V622-L626 WeakPolarHBondContact O-CG 3.32Å; V622-L626 PolarHBondContact O-N 3.47Å; H623-L626 PolarHBondContact O-N 3.46Å; W624-L626 VanDerWaalsContact C-N 3.27Å; W624-L626 PolarHBondContact O-N 3.05Å; L626-F629 PolarHBondContact O-N 3.48Å; L626-A630 PolarHBondContact O-N 2.91Å; L626-I681 HydrophobicContact CD1-CG2 4.16Å; L626-F685 HydrophobicContact CD1-CD1 4.36Å; L626-F685 HydrophobicContact CD1-CD2 3.73Å; L626-F685 HydrophobicContact CD1-CE1 4.35Å; L626-F685 HydrophobicContact CD1-CE2 3.71Å; L626-F685 HydrophobicContact CD1-CG 4.06Å; L626-F685 HydrophobicContact CD1-CZ 4.03Å; L626-F685 HydrophobicContact CD2-CD1 3.74Å; L626-F685 HydrophobicContact CD2-CE1 3.53Å; L626-F685 HydrophobicContact CD2-CE2 4.38Å; L626-F685 HydrophobicContact CD2-CG 4.25Å; L626-F685 HydrophobicContact CD2-CZ 3.87Å; L626-V688 HydrophobicContact CB-CG2 4.15Å; L626-V688 HydrophobicContact CD2-CG2 4.19Å; L626-V688 WeakPolarHBondContact O-CG2 3.42Å |
| 627 | R | 88.8 | Confident | 87.5 | Confident | 1 Ų | 1 | 28.1 Ų | 28.1 | 0% | 0.004 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -66.2 | -41 | 177.1 | -75.4 | -62.5 | -153.8 | -178.6 | 9.9 | 112.2 | Y506 D517 H623 W624 F629 A630 S631 | Y506-R627 HydrophobicContact CD2-CB 3.44Å; Y506-R627 VanDerWaalsContact CD2-CB 3.44Å; Y506-R627 HydrophobicContact CD2-CG 4.08Å; Y506-R627 HydrophobicContact CE2-CB 3.66Å; Y506-R627 HydrophobicContact CE2-CG 3.89Å; Y506-R627 HydrophobicContact CG-CB 4.11Å; D517-R627 IonicContact OD1-CZ 2.93Å; D517-R627 IonicContact OD1-NH2 3.94Å; D517-R627 PolarHBondContact OD1-NH2 3.46Å; D517-R627 IonicContact OD2-CZ 3.17Å; D517-R627 IonicContact OD2-NE 2.94Å; D517-R627 IonicContact OD2-NH2 2.65Å; D517-R627 PolarHBondContact OD2-NH2 3.29Å; H623-R627 VanDerWaalsContact CE1-CG 3.44Å; H623-R627 WeakPolarHBondContact CE1-CG 3.26Å; H623-R627 PolarHBondContact CE1-NE 3.46Å; H623-R627 PolarHBondContact O-N 2.92Å; W624-R627 PolarHBondContact O-N 2.97Å; R627-F629 VanDerWaalsContact C-N 3.29Å; R627-F629 PolarHBondContact O-N 2.7Å; R627-A630 WeakPolarHBondContact O-CB 3.29Å; R627-A630 PolarHBondContact O-N 2.9Å; R627-A630 VanDerWaalsContact O-N 3.15Å; R627-S631 PolarHBondContact O-N 2.96Å; R627-S631 PolarHBondContact O-OG 2.86Å |
| 628 | D | 91.5 | Very high | 88 | Confident | 4 Ų | 4 | 29.7 Ų | 29.7 | 2% | 0.021 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -63.9 | -37.6 | 176.8 | -72.7 | -3.6 | 0 | 0 | 0 | 111.6 | F505 Y506 S507 I593 W624 S631 I632 | F505-D628 VanDerWaalsContact CA-OD1 3.32Å; F505-D628 WeakPolarHBondContact CA-OD1 3.32Å; F505-D628 HydrophobicContact CD1-CB 4.02Å; Y506-D628 WeakPolarHBondContact CB-OD1 3.22Å; Y506-D628 PolarHBondContact N-OD1 3.44Å; S507-D628 WeakPolarHBondContact CB-OD2 3.33Å; S507-D628 PolarHBondContact N-OD2 2.96Å; S507-D628 VanDerWaalsContact N-OD2 3.11Å; S507-D628 PolarHBondContact OG-OD2 3.43Å; I593-D628 HydrophobicContact CD1-CB 4.34Å; I593-D628 HydrophobicContact CG2-CB 4.28Å; W624-D628 VanDerWaalsContact O-CB 3.24Å; W624-D628 WeakPolarHBondContact O-CB 3.48Å; W624-D628 PolarHBondContact O-N 3.14Å; D628-S631 WeakPolarHBondContact CA-OG 3.38Å; D628-S631 PolarHBondContact O-OG 2.89Å; D628-S631 VanDerWaalsContact O-OG 3.13Å; D628-I632 WeakPolarHBondContact O-CB 3.41Å; D628-I632 WeakPolarHBondContact O-CG2 3.45Å; D628-I632 PolarHBondContact O-N 2.93Å |
| 629 | F | 93.9 | Very high | 88.3 | Confident | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -67.6 | -40.7 | 173.1 | -174.7 | -107.2 | 0 | 0 | 0 | 112 | I593 L594 Y597 I625 L626 R627 I632 V633 C662 V688 V692 | I593-F629 HydrophobicContact CG2-CB 3.86Å; I593-F629 HydrophobicContact CG2-CD2 4.08Å; I593-F629 HydrophobicContact CG2-CG 4.49Å; L594-F629 HydrophobicContact CB-CE2 4.47Å; L594-F629 HydrophobicContact CD1-CE2 3.84Å; L594-F629 HydrophobicContact CD1-CZ 4.26Å; Y597-F629 HydrophobicContact CD1-CD1 4.1Å; Y597-F629 HydrophobicContact CD1-CD2 4.47Å; Y597-F629 AromaticContact CD1-CE1 3.93Å; Y597-F629 HydrophobicContact CD1-CE1 3.93Å; Y597-F629 HydrophobicContact CD1-CE2 4.32Å; Y597-F629 HydrophobicContact CD1-CG 4.37Å; Y597-F629 HydrophobicContact CD1-CZ 4.06Å; Y597-F629 HydrophobicContact CD2-CD1 4.19Å; Y597-F629 HydrophobicContact CD2-CG 4.35Å; Y597-F629 HydrophobicContact CE1-CD1 4.35Å; Y597-F629 AromaticContact CE1-CE1 3.99Å; Y597-F629 HydrophobicContact CE1-CE1 3.99Å; Y597-F629 HydrophobicContact CE1-CZ 4.4Å; Y597-F629 HydrophobicContact CE2-CD1 4.44Å; Y597-F629 HydrophobicContact CG-CD1 4.01Å; Y597-F629 HydrophobicContact CG-CD2 4.29Å; Y597-F629 HydrophobicContact CG-CE1 4.32Å; Y597-F629 HydrophobicContact CG-CG 4Å; I625-F629 WeakPolarHBondContact O-CB 3.14Å; I625-F629 PolarHBondContact O-N 2.84Å; L626-F629 PolarHBondContact O-N 3.48Å; R627-F629 VanDerWaalsContact C-N 3.29Å; R627-F629 PolarHBondContact O-N 2.7Å; F629-I632 HydrophobicContact CD2-CG2 4.27Å; F629-I632 WeakPolarHBondContact O-CG2 3.23Å; F629-V633 HydrophobicContact CD1-CG2 4.37Å; F629-V633 HydrophobicContact CD2-CG2 4.31Å; F629-V633 HydrophobicContact CE1-CG2 3.94Å; F629-V633 HydrophobicContact CE2-CG2 3.87Å; F629-V633 HydrophobicContact CZ-CG2 3.66Å; F629-V633 WeakPolarHBondContact O-CB 3.37Å; F629-V633 WeakPolarHBondContact O-CG2 3.37Å; F629-V633 PolarHBondContact O-N 3.48Å; F629-V633 VanDerWaalsContact O-N 3.11Å; F629-C662 HydrophobicContact CZ-CB 4.32Å; F629-C662 VanDerWaalsContact CZ-SG 3.59Å; F629-V688 HydrophobicContact CD1-CB 4.32Å; F629-V688 HydrophobicContact CD1-CG1 3.45Å; F629-V688 VanDerWaalsContact CD1-CG1 3.45Å; F629-V688 HydrophobicContact CD1-CG2 4Å; F629-V688 HydrophobicContact CE1-CG1 3.63Å; F629-V692 HydrophobicContact CE1-CG2 3.98Å; F629-V692 HydrophobicContact CZ-CG2 4.43Å |
| 630 | A | 91.3 | Very high | 88.5 | Confident | 5 Ų | 5 | 25.9 Ų | 25.9 | 4% | 0.041 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -62.4 | -44.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | L626 R627 V633 Q634 E687 V688 Q691 | L626-A630 PolarHBondContact O-N 2.91Å; R627-A630 WeakPolarHBondContact O-CB 3.29Å; R627-A630 PolarHBondContact O-N 2.9Å; R627-A630 VanDerWaalsContact O-N 3.15Å; A630-V633 PolarHBondContact O-N 3.25Å; A630-Q634 PolarHBondContact O-N 2.85Å; A630-E687 HydrophobicContact CB-CG 4Å; A630-V688 HydrophobicContact CB-CG2 4.17Å; A630-Q691 HydrophobicContact CB-CB 4.48Å; A630-Q691 HydrophobicContact CB-CG 4.11Å |
| 631 | S | 90.4 | Very high | 88.4 | Confident | 4 Ų | 4 | 25.1 Ų | 25.1 | 3% | 0.028 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -69.6 | -42.4 | -179.2 | 65.7 | 0 | 0 | 0 | 0 | 112.4 | L504 F505 R627 D628 V633 Q634 V635 | L504-S631 PolarHBondContact O-OG 3.29Å; F505-S631 VanDerWaalsContact CD1-OG 3.26Å; F505-S631 WeakPolarHBondContact CD1-OG 3.14Å; F505-S631 VanDerWaalsContact CE1-OG 3.32Å; F505-S631 WeakPolarHBondContact CE1-OG 3.5Å; R627-S631 PolarHBondContact O-N 2.96Å; R627-S631 PolarHBondContact O-OG 2.86Å; D628-S631 WeakPolarHBondContact CA-OG 3.38Å; D628-S631 PolarHBondContact O-OG 2.89Å; D628-S631 VanDerWaalsContact O-OG 3.13Å; S631-V633 VanDerWaalsContact C-N 3.31Å; S631-V633 PolarHBondContact O-N 3.4Å; S631-Q634 WeakPolarHBondContact O-CB 3.45Å; S631-Q634 PolarHBondContact O-N 3.37Å; S631-V635 WeakPolarHBondContact O-CG2 3.43Å; S631-V635 PolarHBondContact O-N 3.11Å |
| 632 | I | 93.3 | Very high | 88 | Confident | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -64.4 | -37.6 | 176.5 | -168 | 64.6 | 0 | 0 | 0 | 111.5 | F501 F505 R589 F590 I593 D628 F629 V635 V636 | F501-I632 HydrophobicContact CE2-CD1 4.16Å; F501-I632 HydrophobicContact CZ-CD1 3.8Å; F505-I632 HydrophobicContact CE1-CB 3.78Å; F505-I632 HydrophobicContact CE1-CD1 4.22Å; F505-I632 HydrophobicContact CZ-CB 4.17Å; F505-I632 HydrophobicContact CZ-CD1 3.7Å; F505-I632 HydrophobicContact CZ-CG1 4.46Å; R589-I632 HydrophobicContact CB-CD1 4.49Å; R589-I632 HydrophobicContact CG-CD1 4.42Å; F590-I632 HydrophobicContact CB-CG1 3.96Å; F590-I632 HydrophobicContact CD2-CG1 4.13Å; F590-I632 HydrophobicContact CD2-CG2 4.3Å; I593-I632 HydrophobicContact CB-CG2 4.31Å; I593-I632 HydrophobicContact CD1-CB 4.01Å; I593-I632 HydrophobicContact CD1-CG1 4.37Å; I593-I632 HydrophobicContact CD1-CG2 4.15Å; I593-I632 HydrophobicContact CG2-CG2 4.1Å; D628-I632 WeakPolarHBondContact O-CB 3.41Å; D628-I632 WeakPolarHBondContact O-CG2 3.45Å; D628-I632 PolarHBondContact O-N 2.93Å; F629-I632 HydrophobicContact CD2-CG2 4.27Å; F629-I632 WeakPolarHBondContact O-CG2 3.23Å; I632-V635 PolarHBondContact O-N 3.43Å; I632-V636 HydrophobicContact CG1-CG2 4.48Å; I632-V636 WeakPolarHBondContact O-CB 3.08Å; I632-V636 WeakPolarHBondContact O-CG2 3.44Å; I632-V636 PolarHBondContact O-N 3.43Å |
| 633 | V | 91.7 | Very high | 87.6 | Confident | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -62.9 | -46 | 175.7 | 166.1 | 0 | 0 | 0 | 0 | 109.6 | F590 F629 A630 S631 V635 V636 G637 L659 Q691 V692 V695 | F590-V633 HydrophobicContact CE2-CG2 4.48Å; F629-V633 HydrophobicContact CD1-CG2 4.37Å; F629-V633 HydrophobicContact CD2-CG2 4.31Å; F629-V633 HydrophobicContact CE1-CG2 3.94Å; F629-V633 HydrophobicContact CE2-CG2 3.87Å; F629-V633 HydrophobicContact CZ-CG2 3.66Å; F629-V633 WeakPolarHBondContact O-CB 3.37Å; F629-V633 WeakPolarHBondContact O-CG2 3.37Å; F629-V633 PolarHBondContact O-N 3.48Å; F629-V633 VanDerWaalsContact O-N 3.11Å; A630-V633 PolarHBondContact O-N 3.25Å; S631-V633 VanDerWaalsContact C-N 3.31Å; S631-V633 PolarHBondContact O-N 3.4Å; V633-V635 PolarHBondContact O-N 3.21Å; V633-V636 WeakPolarHBondContact O-CB 3.12Å; V633-V636 PolarHBondContact O-N 3.22Å; V633-G637 PolarHBondContact O-N 3.33Å; V633-L659 HydrophobicContact CG1-CD2 4.32Å; V633-L659 HydrophobicContact CG2-CD2 4.35Å; V633-Q691 HydrophobicContact CG1-CB 4.33Å; V633-V692 HydrophobicContact CG1-CG2 4.05Å; V633-V692 HydrophobicContact CG2-CG2 4.3Å; V633-V695 HydrophobicContact CG1-CB 4.04Å; V633-V695 HydrophobicContact CG1-CG2 3.53Å; V633-V695 VanDerWaalsContact O-CG2 3.24Å; V633-V695 WeakPolarHBondContact O-CG2 3.41Å |
| 634 | Q | 89.3 | Confident | 87 | Confident | 55 Ų | 55 | 21.1 Ų | 21.1 | 26% | 0.257 | 10% | 0.101 | S | C | . | . | H | α-helix | trans | -59.4 | -43.9 | 175.2 | -170.7 | 177.1 | 7.1 | 0 | 0 | 112.5 | L568 A630 S631 G637 F638 | L568-Q634 HydrophobicContact CD1-CG 4.15Å; A630-Q634 PolarHBondContact O-N 2.85Å; S631-Q634 WeakPolarHBondContact O-CB 3.45Å; S631-Q634 PolarHBondContact O-N 3.37Å; Q634-G637 PolarHBondContact O-N 2.85Å; Q634-F638 WeakPolarHBondContact O-CB 3.32Å; Q634-F638 PolarHBondContact O-N 3.35Å |
| 635 | V | 90.5 | Very high | 86.3 | Confident | 3 Ų | 3 | 21.4 Ų | 21.4 | 2% | 0.018 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -59.5 | -47.2 | 174.9 | 178.6 | 0 | 0 | 0 | 0 | 110.5 | F501 L504 L568 F571 L586 S631 I632 V633 G637 F638 M639 | F501-V635 HydrophobicContact CE2-CG1 4.23Å; L504-V635 HydrophobicContact CD1-CG2 3.9Å; L568-V635 HydrophobicContact CD2-CB 4.15Å; L568-V635 HydrophobicContact CD2-CG1 4.26Å; L568-V635 HydrophobicContact CD2-CG2 3.56Å; F571-V635 HydrophobicContact CE1-CG1 4.46Å; L586-V635 HydrophobicContact CD1-CG1 3.77Å; L586-V635 HydrophobicContact CG-CG1 4.32Å; S631-V635 WeakPolarHBondContact O-CG2 3.43Å; S631-V635 PolarHBondContact O-N 3.11Å; I632-V635 PolarHBondContact O-N 3.43Å; V633-V635 PolarHBondContact O-N 3.21Å; V635-G637 VanDerWaalsContact C-N 3.32Å; V635-G637 PolarHBondContact O-N 3.35Å; V635-F638 PolarHBondContact O-N 2.96Å; V635-M639 HydrophobicContact CG1-CG 4.11Å; V635-M639 WeakPolarHBondContact O-CB 3.38Å; V635-M639 WeakPolarHBondContact O-CG 3.49Å; V635-M639 PolarHBondContact O-N 3.5Å |
| 636 | V | 88.6 | Confident | 85.1 | Confident | 4 Ų | 4 | 27.2 Ų | 27.2 | 2% | 0.024 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -59 | -43.8 | 177.7 | 166.7 | 0 | 0 | 0 | 0 | 111.2 | L586 F590 I632 V633 M639 S640 I655 | L586-V636 HydrophobicContact CD2-CG2 3.53Å; F590-V636 HydrophobicContact CD2-CG2 3.95Å; F590-V636 HydrophobicContact CG-CG2 4.36Å; I632-V636 HydrophobicContact CG1-CG2 4.48Å; I632-V636 WeakPolarHBondContact O-CB 3.08Å; I632-V636 WeakPolarHBondContact O-CG2 3.44Å; I632-V636 PolarHBondContact O-N 3.43Å; V633-V636 WeakPolarHBondContact O-CB 3.12Å; V633-V636 PolarHBondContact O-N 3.22Å; V636-M639 CarbonylContact O-C 3.54Å; V636-M639 PolarHBondContact O-N 3.49Å; V636-S640 PolarHBondContact O-N 3.08Å; V636-I655 HydrophobicContact CG1-CD1 4.44Å; V636-I655 HydrophobicContact CG1-CG2 3.5Å; V636-I655 VanDerWaalsContact CG1-CG2 3.5Å |
| 637 | G | 86.2 | Confident | 84.3 | Confident | 7 Ų | 7 | 36 Ų | 36 | 7% | 0.072 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -62.2 | -44.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | V633 Q634 V635 M639 S640 | V633-G637 PolarHBondContact O-N 3.33Å; Q634-G637 PolarHBondContact O-N 2.85Å; V635-G637 VanDerWaalsContact C-N 3.32Å; V635-G637 PolarHBondContact O-N 3.35Å; G637-M639 VanDerWaalsContact C-N 3.34Å; G637-M639 PolarHBondContact O-N 2.94Å; G637-S640 WeakPolarHBondContact O-CB 2.87Å; G637-S640 PolarHBondContact O-N 3.19Å; G637-S640 PolarHBondContact O-OG 2.55Å |
| 638 | F | 86.7 | Confident | 84 | Confident | 98 Ų | 98 | 37 Ų | 37 | 43% | 0.43 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -66.3 | -34.9 | 178 | -167.4 | -105.4 | 0 | 0 | 0 | 112.7 | L568 H572 Q634 V635 | L568-F638 HydrophobicContact CB-CD1 3.83Å; L568-F638 HydrophobicContact CB-CE1 3.89Å; L568-F638 HydrophobicContact CB-CG 4.29Å; L568-F638 HydrophobicContact CB-CZ 4.43Å; L568-F638 HydrophobicContact CD1-CB 4.32Å; L568-F638 HydrophobicContact CD1-CG 4.34Å; L568-F638 VanDerWaalsContact O-CE1 3.26Å; L568-F638 WeakPolarHBondContact O-CE1 3.44Å; H572-F638 HydrophobicContact CB-CD1 4.39Å; H572-F638 HydrophobicContact CB-CE1 3.68Å; Q634-F638 WeakPolarHBondContact O-CB 3.32Å; Q634-F638 PolarHBondContact O-N 3.35Å; V635-F638 PolarHBondContact O-N 2.96Å |
| 639 | M | 85.9 | Confident | 83.4 | Confident | 2 Ų | 2 | 39 Ų | 39 | 1% | 0.01 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.5 | 9.9 | -177.8 | -58.4 | -57.3 | -89 | 0 | 0 | 113.6 | F571 H572 V575 L586 V635 V636 G637 E641 K642 F643 | F571-M639 HydrophobicContact CD1-CE 3.99Å; F571-M639 HydrophobicContact CE1-CE 4.19Å; H572-M639 HydrophobicContact CB-CE 4.31Å; H572-M639 HydrophobicContact CB-SD 3.91Å; V575-M639 HydrophobicContact CB-CE 3.35Å; V575-M639 HydrophobicContact CG1-CE 3.61Å; V575-M639 HydrophobicContact CG2-CE 3.27Å; L586-M639 HydrophobicContact CD1-CB 3.99Å; L586-M639 HydrophobicContact CD1-CG 4.09Å; V635-M639 HydrophobicContact CG1-CG 4.11Å; V635-M639 WeakPolarHBondContact O-CB 3.38Å; V635-M639 WeakPolarHBondContact O-CG 3.49Å; V635-M639 PolarHBondContact O-N 3.5Å; V636-M639 CarbonylContact O-C 3.54Å; V636-M639 PolarHBondContact O-N 3.49Å; G637-M639 VanDerWaalsContact C-N 3.34Å; G637-M639 PolarHBondContact O-N 2.94Å; M639-E641 PolarHBondContact O-N 2.79Å; M639-K642 HydrophobicContact CE-CG 4.45Å; M639-K642 WeakPolarHBondContact O-CB 3.12Å; M639-K642 PolarHBondContact O-N 3.04Å; M639-F643 HydrophobicContact CB-CE2 4.42Å; M639-F643 WeakPolarHBondContact O-CD2 3.22Å |
| 640 | S | 82 | Confident | 82.9 | Confident | 13 Ų | 13 | 46 Ų | 46 | 9% | 0.091 | 22% | 0.222 | C | C | . | . | G | 310 helix | trans | -57.1 | -33.7 | -174.3 | 57.2 | 0 | 0 | 0 | 0 | 114.5 | V636 G637 K642 F643 C644 | V636-S640 PolarHBondContact O-N 3.08Å; G637-S640 WeakPolarHBondContact O-CB 2.87Å; G637-S640 PolarHBondContact O-N 3.19Å; G637-S640 PolarHBondContact O-OG 2.55Å; S640-K642 PolarHBondContact O-N 3Å; S640-F643 PolarHBondContact O-N 2.99Å; S640-C644 PolarHBondContact O-SG 2.92Å |
| 641 | E | 80.1 | Confident | 82.6 | Confident | 116 Ų | 116 | 47.4 Ų | 47.4 | 54% | 0.542 | 23% | 0.229 | S | C | . | . | G | 310 helix | trans | -59.2 | -34.5 | 176.5 | -169 | -176.2 | -176.9 | 0 | 0 | 112.3 | M639 F643 C644 | M639-E641 PolarHBondContact O-N 2.79Å; E641-F643 VanDerWaalsContact C-N 3.28Å; E641-F643 PolarHBondContact O-N 2.83Å; E641-C644 VanDerWaalsContact O-CB 3.27Å; E641-C644 WeakPolarHBondContact O-CB 3.49Å; E641-C644 PolarHBondContact O-N 3.34Å; E641-C644 VanDerWaalsContact O-N 3.15Å |
| 642 | K | 77.8 | Confident | 82.3 | Confident | 42 Ų | 42 | 47.3 Ų | 47.3 | 18% | 0.183 | 23% | 0.228 | C | C | . | . | G | 310 helix | trans | -70.9 | -24.5 | -178.5 | -54.8 | -56.2 | -176.4 | -163.8 | 0 | 112.8 | V575 M639 S640 C644 | V575-K642 HydrophobicContact CG1-CD 4.49Å; V575-K642 HydrophobicContact CG1-CG 4.05Å; M639-K642 HydrophobicContact CE-CG 4.45Å; M639-K642 WeakPolarHBondContact O-CB 3.12Å; M639-K642 PolarHBondContact O-N 3.04Å; S640-K642 PolarHBondContact O-N 3Å; K642-C644 VanDerWaalsContact C-N 3.28Å |
| 643 | F | 77.7 | Confident | 81.9 | Confident | 4 Ų | 4 | 49 Ų | 49 | 2% | 0.018 | 24% | 0.236 | C | C | . | . | G | 310 helix | trans | -80.7 | -7.4 | 175.2 | -63.2 | -77.2 | 0 | 0 | 0 | 113.4 | T583 L586 M639 S640 E641 C645 L651 I655 I719 | T583-F643 HydrophobicContact CG2-CD1 3.87Å; T583-F643 HydrophobicContact CG2-CE1 3.44Å; T583-F643 VanDerWaalsContact CG2-CE1 3.44Å; T583-F643 HydrophobicContact CG2-CZ 4.03Å; L586-F643 HydrophobicContact CD1-CE2 4.41Å; L586-F643 HydrophobicContact CD1-CZ 4.24Å; L586-F643 HydrophobicContact CD2-CE2 4.19Å; L586-F643 HydrophobicContact CD2-CZ 3.64Å; L586-F643 HydrophobicContact CG-CZ 4.42Å; M639-F643 HydrophobicContact CB-CE2 4.42Å; M639-F643 WeakPolarHBondContact O-CD2 3.22Å; S640-F643 PolarHBondContact O-N 2.99Å; E641-F643 VanDerWaalsContact C-N 3.28Å; E641-F643 PolarHBondContact O-N 2.83Å; F643-C645 VanDerWaalsContact C-N 3.28Å; F643-C645 PolarHBondContact O-N 3.4Å; F643-L651 HydrophobicContact CD1-CB 4.42Å; F643-I655 HydrophobicContact CD1-CD1 3.99Å; F643-I655 HydrophobicContact CD2-CD1 4.43Å; F643-I655 HydrophobicContact CE1-CD1 3.69Å; F643-I655 HydrophobicContact CE2-CD1 4.16Å; F643-I655 HydrophobicContact CG-CD1 4.36Å; F643-I655 HydrophobicContact CZ-CD1 3.79Å; F643-I719 HydrophobicContact CB-CD1 3.89Å; F643-I719 HydrophobicContact CB-CG1 4.48Å |
| 644 | C | 73.3 | Confident | 81.7 | Confident | 9 Ų | 9 | 53.1 Ų | 53.1 | 6% | 0.061 | 26% | 0.255 | C | S | . | . | G | 310 helix | trans | -76.2 | -16.3 | 178.6 | -62.5 | 0 | 0 | 0 | 0 | 113.1 | S640 E641 K642 N717 | S640-C644 PolarHBondContact O-SG 2.92Å; E641-C644 VanDerWaalsContact O-CB 3.27Å; E641-C644 WeakPolarHBondContact O-CB 3.49Å; E641-C644 PolarHBondContact O-N 3.34Å; E641-C644 VanDerWaalsContact O-N 3.15Å; K642-C644 VanDerWaalsContact C-N 3.28Å; C644-N717 PolarHBondContact SG-O 3.29Å |
| 645 | C | 72.8 | Confident | 81.6 | Confident | 66 Ų | 66 | 50.8 Ų | 50.8 | 45% | 0.446 | 24% | 0.244 | S | C | . | . | S | Bend | trans | -65.4 | 141 | 176.3 | -63.8 | 0 | 0 | 0 | 0 | 111.6 | F643 K647 Y648 Q649 | F643-C645 VanDerWaalsContact C-N 3.28Å; F643-C645 PolarHBondContact O-N 3.4Å; C645-K647 PolarHBondContact O-N 3.47Å; C645-Y648 HydrophobicContact CB-CD2 4.31Å; C645-Y648 PolarHBondContact O-N 3.42Å; C645-Q649 PolarHBondContact O-N 2.87Å |
| 646 | E | 65.1 | Low | 81.5 | Confident | 138 Ų | 138 | 50.8 Ų | 50.8 | 65% | 0.645 | 24% | 0.244 | S | C | * | . | G | 310 helix | trans | -50.7 | -37.4 | -179.7 | -69.2 | -173 | 157.1 | 0 | 0 | 113.4 | Y648 Y716 | E646-Y648 PolarHBondContact O-N 3.41Å; E646-Y716 HydrophobicContact CG-CD1 4.46Å; E646-Y716 WeakPolarHBondContact OE1-CE1 3.44Å |
| 647 | K | 74 | Confident | 81.4 | Confident | 185 Ų | 185 | 55.7 Ų | 55.7 | 80% | 0.804 | 26% | 0.262 | S | S | * | . | G | 310 helix | trans | -61.5 | -26.3 | 179.3 | -67.6 | -175.2 | 179.4 | 179.8 | 0 | 114.2 | C645 | C645-K647 PolarHBondContact O-N 3.47Š|
| 648 | Y | 81.1 | Confident | 81.6 | Confident | 23 Ų | 23 | 56.1 Ų | 56.1 | 9% | 0.09 | 27% | 0.265 | C | S | . | . | G | 310 helix | trans | -121.1 | 8.1 | -173.4 | -53.9 | -57.1 | 0 | 0 | 0 | 113.3 | H580 T583 C645 E646 E650 L651 G652 | H580-Y648 VanDerWaalsContact CA-OH 3.24Å; H580-Y648 WeakPolarHBondContact CA-OH 3.41Å; H580-Y648 WeakPolarHBondContact CB-OH 3.19Å; H580-Y648 AromaticContact ND1-CE1 3.87Å; H580-Y648 AromaticContact ND1-CZ 3.83Å; H580-Y648 PolarHBondContact ND1-OH 3.42Å; T583-Y648 HydrophobicContact CG2-CD1 4.04Å; T583-Y648 HydrophobicContact CG2-CD2 3.91Å; T583-Y648 HydrophobicContact CG2-CE1 4.39Å; T583-Y648 HydrophobicContact CG2-CE2 4.27Å; T583-Y648 HydrophobicContact CG2-CG 3.8Å; C645-Y648 HydrophobicContact CB-CD2 4.31Å; C645-Y648 PolarHBondContact O-N 3.42Å; E646-Y648 PolarHBondContact O-N 3.41Å; Y648-E650 VanDerWaalsContact C-N 3.29Å; Y648-E650 PolarHBondContact O-N 3.12Å; Y648-L651 HydrophobicContact CD1-CD1 3.92Å; Y648-L651 WeakPolarHBondContact O-CB 3.32Å; Y648-L651 PolarHBondContact O-N 2.88Å; Y648-G652 PolarHBondContact O-N 3.33Å |
| 649 | Q | 79.9 | Confident | 81.8 | Confident | 45 Ų | 45 | 51.4 Ų | 51.4 | 21% | 0.21 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -59.5 | -38.5 | -176.4 | -173.4 | 175.5 | -8.4 | 0 | 0 | 112.5 | C645 L651 G652 Q653 | C645-Q649 PolarHBondContact O-N 2.87Å; Q649-L651 VanDerWaalsContact C-N 3.34Å; Q649-L651 PolarHBondContact O-N 3.09Å; Q649-G652 PolarHBondContact O-N 3.48Å; Q649-Q653 WeakPolarHBondContact O-CG 3.15Å; Q649-Q653 PolarHBondContact O-N 2.99Å |
| 650 | E | 82.4 | Confident | 81.9 | Confident | 146 Ų | 146 | 52 Ų | 52 | 68% | 0.682 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -62.8 | -39.5 | 175.8 | -64.9 | -172.3 | 170.6 | 0 | 0 | 112.3 | Y648 Q653 Q654 | Y648-E650 VanDerWaalsContact C-N 3.29Å; Y648-E650 PolarHBondContact O-N 3.12Å; E650-Q653 PolarHBondContact O-N 3.38Å; E650-Q654 WeakPolarHBondContact O-CG 3.46Å; E650-Q654 PolarHBondContact O-N 2.84Å; E650-Q654 VanDerWaalsContact O-N 3.08Å |
| 651 | L | 85.2 | Confident | 82.3 | Confident | 36 Ų | 36 | 56.2 Ų | 56.2 | 19% | 0.188 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -65.6 | -43.8 | 176 | -56.4 | -179.4 | 0 | 0 | 0 | 110.2 | F587 F643 Y648 Q649 Q653 Q654 I655 | F587-L651 HydrophobicContact CB-CD1 4.39Å; F587-L651 HydrophobicContact CD1-CD2 3.74Å; F587-L651 HydrophobicContact CD2-CB 3.84Å; F587-L651 HydrophobicContact CD2-CD2 4.07Å; F587-L651 HydrophobicContact CD2-CG 4.41Å; F587-L651 HydrophobicContact CE1-CD2 3.63Å; F587-L651 HydrophobicContact CE2-CB 4.03Å; F587-L651 HydrophobicContact CE2-CD2 3.97Å; F587-L651 HydrophobicContact CG-CB 4.29Å; F587-L651 HydrophobicContact CG-CD1 4.32Å; F587-L651 HydrophobicContact CG-CD2 3.94Å; F587-L651 HydrophobicContact CG-CG 4.42Å; F587-L651 HydrophobicContact CZ-CD2 3.74Å; F643-L651 HydrophobicContact CD1-CB 4.42Å; Y648-L651 HydrophobicContact CD1-CD1 3.92Å; Y648-L651 WeakPolarHBondContact O-CB 3.32Å; Y648-L651 PolarHBondContact O-N 2.88Å; Q649-L651 VanDerWaalsContact C-N 3.34Å; Q649-L651 PolarHBondContact O-N 3.09Å; L651-Q653 PolarHBondContact O-N 3.19Å; L651-Q654 PolarHBondContact O-N 2.8Å; L651-I655 WeakPolarHBondContact O-CG1 3.21Å; L651-I655 PolarHBondContact O-N 2.94Å |
| 652 | G | 85.3 | Confident | 82.8 | Confident | 1 Ų | 1 | 50.7 Ų | 50.7 | 1% | 0.01 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -57.8 | -44.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y648 Q649 Q654 I655 L656 | Y648-G652 PolarHBondContact O-N 3.33Å; Q649-G652 PolarHBondContact O-N 3.48Å; G652-Q654 PolarHBondContact O-N 3.47Å; G652-I655 WeakPolarHBondContact O-CB 3.33Å; G652-I655 PolarHBondContact O-N 3.31Å; G652-L656 WeakPolarHBondContact O-CG 3.32Å; G652-L656 PolarHBondContact O-N 2.71Å |
| 653 | Q | 84.6 | Confident | 83.3 | Confident | 36 Ų | 36 | 48.7 Ų | 48.7 | 17% | 0.168 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -62.4 | -41.2 | 176 | -73.9 | 177.6 | -2.9 | 0 | 0 | 112.5 | Q649 E650 L651 I655 L656 R657 I719 Y720 | Q649-Q653 WeakPolarHBondContact O-CG 3.15Å; Q649-Q653 PolarHBondContact O-N 2.99Å; E650-Q653 PolarHBondContact O-N 3.38Å; L651-Q653 PolarHBondContact O-N 3.19Å; Q653-I655 VanDerWaalsContact C-N 3.35Å; Q653-L656 PolarHBondContact O-N 3.11Å; Q653-R657 WeakPolarHBondContact O-CG 3.38Å; Q653-R657 PolarHBondContact O-N 2.95Å; Q653-I719 HydrophobicContact CG-CG2 4.19Å; Q653-Y720 WeakPolarHBondContact CG-O 3.45Å; Q653-Y720 PolarHBondContact NE2-O 3.35Å |
| 654 | Q | 86.5 | Confident | 83.8 | Confident | 86 Ų | 86 | 55 Ų | 55 | 40% | 0.402 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -64.9 | -39.8 | 176.4 | -71.1 | -178.3 | 37.4 | 0 | 0 | 111.8 | F587 E650 L651 G652 R657 A658 | F587-Q654 HydrophobicContact CE2-CB 4.06Å; F587-Q654 HydrophobicContact CZ-CB 4.22Å; E650-Q654 WeakPolarHBondContact O-CG 3.46Å; E650-Q654 PolarHBondContact O-N 2.84Å; E650-Q654 VanDerWaalsContact O-N 3.08Å; L651-Q654 PolarHBondContact O-N 2.8Å; G652-Q654 PolarHBondContact O-N 3.47Å; Q654-R657 PolarHBondContact O-N 3.45Å; Q654-A658 WeakPolarHBondContact O-CB 3.05Å; Q654-A658 PolarHBondContact O-N 2.68Å |
| 655 | I | 88.4 | Confident | 84.4 | Confident | 6 Ų | 6 | 55 Ų | 55 | 3% | 0.031 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -60.4 | -47.1 | 173.6 | -70.4 | 168.2 | 0 | 0 | 0 | 110.6 | F587 F590 V636 F643 L651 G652 Q653 R657 A658 L659 | F587-I655 HydrophobicContact CD2-CD1 4.01Å; F587-I655 HydrophobicContact CD2-CG1 3.94Å; F587-I655 HydrophobicContact CE2-CG1 4.09Å; F590-I655 HydrophobicContact CD1-CG1 4.14Å; F590-I655 HydrophobicContact CE1-CG1 4.13Å; V636-I655 HydrophobicContact CG1-CD1 4.44Å; V636-I655 HydrophobicContact CG1-CG2 3.5Å; V636-I655 VanDerWaalsContact CG1-CG2 3.5Å; F643-I655 HydrophobicContact CD1-CD1 3.99Å; F643-I655 HydrophobicContact CD2-CD1 4.43Å; F643-I655 HydrophobicContact CE1-CD1 3.69Å; F643-I655 HydrophobicContact CE2-CD1 4.16Å; F643-I655 HydrophobicContact CG-CD1 4.36Å; F643-I655 HydrophobicContact CZ-CD1 3.79Å; L651-I655 WeakPolarHBondContact O-CG1 3.21Å; L651-I655 PolarHBondContact O-N 2.94Å; G652-I655 WeakPolarHBondContact O-CB 3.33Å; G652-I655 PolarHBondContact O-N 3.31Å; Q653-I655 VanDerWaalsContact C-N 3.35Å; I655-R657 PolarHBondContact O-N 2.96Å; I655-A658 WeakPolarHBondContact O-CB 3.33Å; I655-A658 PolarHBondContact O-N 3.47Å; I655-L659 HydrophobicContact CG2-CD1 3.88Å; I655-L659 HydrophobicContact CG2-CG 4.24Å; I655-L659 WeakPolarHBondContact O-CB 3.27Å; I655-L659 WeakPolarHBondContact O-CG 3Å; I655-L659 PolarHBondContact O-N 3.01Å |
| 656 | L | 87.6 | Confident | 85.2 | Confident | 4 Ų | 4 | 51.9 Ų | 51.9 | 2% | 0.021 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -60.5 | -43.9 | 179.1 | -70.5 | 177.8 | 0 | 0 | 0 | 112.2 | G652 Q653 A658 L659 M660 W696 L699 I705 I719 L721 | G652-L656 WeakPolarHBondContact O-CG 3.32Å; G652-L656 PolarHBondContact O-N 2.71Å; Q653-L656 PolarHBondContact O-N 3.11Å; L656-A658 VanDerWaalsContact C-N 3.34Å; L656-A658 PolarHBondContact O-N 3.08Å; L656-L659 PolarHBondContact O-N 3.09Å; L656-M660 PolarHBondContact O-N 3.26Å; L656-W696 HydrophobicContact CD2-CH2 4.02Å; L656-W696 HydrophobicContact CD2-CZ3 4.21Å; L656-L699 HydrophobicContact CD2-CD1 4.01Å; L656-I705 HydrophobicContact CD1-CD1 4.46Å; L656-I705 HydrophobicContact CD1-CG1 4.29Å; L656-I705 HydrophobicContact CD1-CG2 4.38Å; L656-I705 HydrophobicContact CD2-CD1 3.58Å; L656-I705 HydrophobicContact CD2-CG1 4.1Å; L656-I719 HydrophobicContact CD1-CB 4.07Å; L656-I719 HydrophobicContact CD1-CG2 3.48Å; L656-I719 VanDerWaalsContact CD1-CG2 3.48Å; L656-I719 HydrophobicContact CG-CG2 4.35Å; L656-L721 HydrophobicContact CB-CD2 4.36Å; L656-L721 HydrophobicContact CD1-CD1 4.43Å; L656-L721 HydrophobicContact CD1-CD2 4.09Å; L656-L721 HydrophobicContact CD1-CG 4.13Å |
| 657 | R | 87 | Confident | 86.2 | Confident | 107 Ų | 107 | 46 Ų | 46 | 40% | 0.404 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -62.6 | -41.6 | 175.5 | -70 | 178.6 | -176.1 | 130.2 | 1.3 | 111.6 | Q653 Q654 I655 M660 Y661 E725 | Q653-R657 WeakPolarHBondContact O-CG 3.38Å; Q653-R657 PolarHBondContact O-N 2.95Å; Q654-R657 PolarHBondContact O-N 3.45Å; I655-R657 PolarHBondContact O-N 2.96Å; R657-M660 PolarHBondContact O-N 3.4Å; R657-Y661 PolarHBondContact O-N 2.92Å; R657-E725 IonicContact CZ-OE1 3.52Å; R657-E725 IonicContact NE-OE1 3.27Å; R657-E725 PolarHBondContact NE-OE1 3.43Å; R657-E725 IonicContact NH2-OE1 2.94Å; R657-E725 PolarHBondContact NH2-OE1 3.05Å; R657-E725 IonicContact NH2-OE2 2.74Å |
| 658 | A | 90 | Very high | 86.7 | Confident | 15 Ų | 15 | 41.7 Ų | 41.7 | 12% | 0.124 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -64.4 | -42.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | F590 L594 Q654 I655 L656 M660 Y661 C662 | F590-A658 HydrophobicContact CE1-CB 3.72Å; F590-A658 HydrophobicContact CZ-CB 3.8Å; L594-A658 HydrophobicContact CD2-CB 3.68Å; Q654-A658 WeakPolarHBondContact O-CB 3.05Å; Q654-A658 PolarHBondContact O-N 2.68Å; I655-A658 WeakPolarHBondContact O-CB 3.33Å; I655-A658 PolarHBondContact O-N 3.47Å; L656-A658 VanDerWaalsContact C-N 3.34Å; L656-A658 PolarHBondContact O-N 3.08Å; A658-M660 VanDerWaalsContact C-N 3.32Å; A658-M660 PolarHBondContact O-N 3.05Å; A658-Y661 WeakPolarHBondContact O-CB 3.45Å; A658-Y661 PolarHBondContact O-N 3.31Å; A658-C662 PolarHBondContact O-N 2.69Å; A658-C662 PolarHBondContact O-SG 3.41Å |
| 659 | L | 91.1 | Very high | 86.8 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -64.4 | -35.5 | 176.2 | -72.8 | 173.7 | 0 | 0 | 0 | 112 | V633 I655 L656 C662 L663 V695 W696 L699 | V633-L659 HydrophobicContact CG1-CD2 4.32Å; V633-L659 HydrophobicContact CG2-CD2 4.35Å; I655-L659 HydrophobicContact CG2-CD1 3.88Å; I655-L659 HydrophobicContact CG2-CG 4.24Å; I655-L659 WeakPolarHBondContact O-CB 3.27Å; I655-L659 WeakPolarHBondContact O-CG 3Å; I655-L659 PolarHBondContact O-N 3.01Å; L656-L659 PolarHBondContact O-N 3.09Å; L659-C662 PolarHBondContact O-N 3.25Å; L659-L663 PolarHBondContact O-N 2.99Å; L659-V695 HydrophobicContact CD1-CG1 4.02Å; L659-W696 HydrophobicContact CB-CZ2 3.86Å; L659-L699 HydrophobicContact CD1-CD1 4.13Å |
| 660 | M | 88.4 | Confident | 87 | Confident | 13 Ų | 13 | 39.2 Ų | 39.2 | 6% | 0.064 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -66.2 | -45.4 | 173.6 | -172.5 | 55.8 | 70.1 | 0 | 0 | 111.3 | L656 R657 A658 C662 L663 R664 W696 F729 E732 L733 I736 | L656-M660 PolarHBondContact O-N 3.26Å; R657-M660 PolarHBondContact O-N 3.4Å; A658-M660 VanDerWaalsContact C-N 3.32Å; A658-M660 PolarHBondContact O-N 3.05Å; M660-C662 VanDerWaalsContact C-N 3.25Å; M660-C662 PolarHBondContact O-N 3.49Å; M660-L663 WeakPolarHBondContact O-CB 2.99Å; M660-L663 PolarHBondContact O-N 3.02Å; M660-L663 VanDerWaalsContact O-N 3.15Å; M660-L663 HydrophobicContact SD-CD1 4.31Å; M660-R664 PolarHBondContact O-N 3.23Å; M660-W696 HydrophobicContact CB-CZ2 4.2Å; M660-W696 HydrophobicContact CE-CH2 4.01Å; M660-W696 HydrophobicContact CE-CZ2 3.87Å; M660-F729 HydrophobicContact CE-CD2 3.31Å; M660-F729 HydrophobicContact CE-CE2 3.1Å; M660-F729 HydrophobicContact CE-CG 4.26Å; M660-F729 HydrophobicContact CE-CZ 3.93Å; M660-E732 WeakPolarHBondContact CG-OE2 3.29Å; M660-E732 HydrophobicContact SD-CB 4.43Å; M660-L733 HydrophobicContact CE-CD1 4.34Å; M660-L733 HydrophobicContact CE-CD2 3.75Å; M660-L733 HydrophobicContact CE-CG 3.74Å; M660-L733 HydrophobicContact SD-CD2 4.05Å; M660-L733 HydrophobicContact SD-CG 4.31Å; M660-I736 HydrophobicContact SD-CD1 3.8Å |
| 661 | Y | 89.6 | Confident | 86.8 | Confident | 102 Ų | 102 | 35.8 Ų | 35.8 | 40% | 0.4 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -58.4 | -38.8 | 173.5 | 177 | -110 | 0 | 0 | 0 | 112 | T598 R657 A658 R664 L665 | T598-Y661 HydrophobicContact CG2-CE1 3.79Å; R657-Y661 PolarHBondContact O-N 2.92Å; A658-Y661 WeakPolarHBondContact O-CB 3.45Å; A658-Y661 PolarHBondContact O-N 3.31Å; Y661-R664 WeakPolarHBondContact O-CB 3.46Å; Y661-R664 PolarHBondContact O-N 3.38Å; Y661-L665 HydrophobicContact CD1-CD1 3.85Å; Y661-L665 HydrophobicContact CD1-CG 4.46Å; Y661-L665 HydrophobicContact CE1-CD1 3.28Å; Y661-L665 HydrophobicContact CE1-CG 4.02Å; Y661-L665 HydrophobicContact CE2-CD1 4.34Å; Y661-L665 HydrophobicContact CE2-CD2 4.48Å; Y661-L665 HydrophobicContact CE2-CG 4.2Å; Y661-L665 PolarHBondContact O-N 3.01Å |
| 662 | C | 90.6 | Very high | 86.6 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -65.4 | -42.4 | 174.9 | -66.8 | 0 | 0 | 0 | 0 | 112.4 | L594 F629 A658 L659 M660 R664 L665 N666 V692 | L594-C662 WeakPolarHBondContact CD1-SG 3.39Å; F629-C662 HydrophobicContact CZ-CB 4.32Å; F629-C662 VanDerWaalsContact CZ-SG 3.59Å; A658-C662 PolarHBondContact O-N 2.69Å; A658-C662 PolarHBondContact O-SG 3.41Å; L659-C662 PolarHBondContact O-N 3.25Å; M660-C662 VanDerWaalsContact C-N 3.25Å; M660-C662 PolarHBondContact O-N 3.49Å; C662-R664 VanDerWaalsContact C-N 3.29Å; C662-R664 PolarHBondContact O-N 2.91Å; C662-L665 PolarHBondContact O-N 3.11Å; C662-N666 WeakPolarHBondContact O-CB 3.47Å; C662-N666 PolarHBondContact O-N 3.47Å; C662-N666 PolarHBondContact O-ND2 3.01Å; C662-N666 PolarHBondContact O-OD1 3.21Å; C662-V692 HydrophobicContact CB-CG1 4.36Å; C662-V692 HydrophobicContact CB-CG2 4.46Å |
| 663 | L | 89.2 | Confident | 86.3 | Confident | 1 Ų | 1 | 34.8 Ų | 34.8 | 1% | 0.005 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -58.8 | -42.9 | 173.3 | -78.1 | -179.6 | 0 | 0 | 0 | 111.5 | L659 M660 N666 S667 V692 L693 W696 L733 I736 | L659-L663 PolarHBondContact O-N 2.99Å; M660-L663 WeakPolarHBondContact O-CB 2.99Å; M660-L663 PolarHBondContact O-N 3.02Å; M660-L663 VanDerWaalsContact O-N 3.15Å; M660-L663 HydrophobicContact SD-CD1 4.31Å; L663-N666 PolarHBondContact O-N 2.98Å; L663-S667 WeakPolarHBondContact O-CB 3.35Å; L663-S667 PolarHBondContact O-N 3.35Å; L663-V692 HydrophobicContact CD2-CG1 3.58Å; L663-V692 HydrophobicContact CG-CG1 3.8Å; L663-L693 HydrophobicContact CD2-CD2 3.69Å; L663-L693 HydrophobicContact CD2-CG 4.24Å; L663-W696 VanDerWaalsContact CD1-CD1 3.41Å; L663-W696 HydrophobicContact CD1-CD2 4.41Å; L663-W696 HydrophobicContact CD1-CG 4.11Å; L663-W696 VanDerWaalsContact CD1-NE1 3.25Å; L663-L733 HydrophobicContact CD1-CD2 3.89Å; L663-I736 HydrophobicContact CB-CD1 3.68Å; L663-I736 HydrophobicContact CB-CG1 4.47Å; L663-I736 HydrophobicContact CB-CG2 4.35Å; L663-I736 HydrophobicContact CD1-CD1 4.4Å |
| 664 | R | 87.4 | Confident | 85.9 | Confident | 137 Ų | 137 | 39.1 Ų | 39.1 | 52% | 0.517 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -61.7 | -47.3 | 175.9 | 179.5 | 177.8 | 171.5 | 177.3 | -3.4 | 111.8 | M660 Y661 C662 N666 S667 L668 E732 | M660-R664 PolarHBondContact O-N 3.23Å; Y661-R664 WeakPolarHBondContact O-CB 3.46Å; Y661-R664 PolarHBondContact O-N 3.38Å; C662-R664 VanDerWaalsContact C-N 3.29Å; C662-R664 PolarHBondContact O-N 2.91Å; R664-N666 VanDerWaalsContact C-N 3.35Å; R664-N666 PolarHBondContact O-N 3.35Å; R664-S667 WeakPolarHBondContact O-CB 3.21Å; R664-S667 PolarHBondContact O-N 3.34Å; R664-S667 PolarHBondContact O-OG 3.36Å; R664-L668 PolarHBondContact O-N 2.99Å; R664-E732 IonicContact NH1-OE1 3.49Å |
| 665 | L | 86.9 | Confident | 85.4 | Confident | 8 Ų | 8 | 38.4 Ų | 38.4 | 4% | 0.042 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -59.9 | -46.1 | 175.2 | -76.5 | 175.3 | 0 | 0 | 0 | 111.7 | T598 L607 Y661 C662 S667 L668 I669 | T598-L665 HydrophobicContact CG2-CD1 3.99Å; L607-L665 HydrophobicContact CD2-CD2 4.32Å; Y661-L665 HydrophobicContact CD1-CD1 3.85Å; Y661-L665 HydrophobicContact CD1-CG 4.46Å; Y661-L665 HydrophobicContact CE1-CD1 3.28Å; Y661-L665 HydrophobicContact CE1-CG 4.02Å; Y661-L665 HydrophobicContact CE2-CD1 4.34Å; Y661-L665 HydrophobicContact CE2-CD2 4.48Å; Y661-L665 HydrophobicContact CE2-CG 4.2Å; Y661-L665 PolarHBondContact O-N 3.01Å; C662-L665 PolarHBondContact O-N 3.11Å; L665-S667 VanDerWaalsContact C-N 3.26Å; L665-S667 PolarHBondContact O-N 3.42Å; L665-L668 WeakPolarHBondContact O-CB 3.32Å; L665-L668 PolarHBondContact O-N 3Å; L665-I669 WeakPolarHBondContact O-CG1 3.44Å; L665-I669 PolarHBondContact O-N 3.33Å |
| 666 | N | 88.4 | Confident | 84.9 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -62.1 | -35.1 | 179.9 | -73.2 | -6.3 | 0 | 0 | 0 | 112.3 | Y597 C662 L663 R664 L668 I669 F670 I689 F740 | Y597-N666 PolarHBondContact OH-OD1 3.37Å; C662-N666 WeakPolarHBondContact O-CB 3.47Å; C662-N666 PolarHBondContact O-N 3.47Å; C662-N666 PolarHBondContact O-ND2 3.01Å; C662-N666 PolarHBondContact O-OD1 3.21Å; L663-N666 PolarHBondContact O-N 2.98Å; R664-N666 VanDerWaalsContact C-N 3.35Å; R664-N666 PolarHBondContact O-N 3.35Å; N666-L668 VanDerWaalsContact C-N 3.26Å; N666-L668 PolarHBondContact O-N 3.4Å; N666-I669 PolarHBondContact O-N 3.28Å; N666-F670 WeakPolarHBondContact O-CB 3.45Å; N666-F670 PolarHBondContact O-N 3.22Å; N666-I689 HydrophobicContact CB-CG1 3.9Å; N666-I689 HydrophobicContact CB-CG2 4.48Å; N666-F740 HydrophobicContact CB-CZ 4.33Å |
| 667 | S | 86.4 | Confident | 84.3 | Confident | 14 Ų | 14 | 45.3 Ų | 45.3 | 10% | 0.098 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -63.1 | -31.4 | 175.2 | 85.3 | 0 | 0 | 0 | 0 | 113 | L663 R664 L665 P671 S739 | L663-S667 WeakPolarHBondContact O-CB 3.35Å; L663-S667 PolarHBondContact O-N 3.35Å; R664-S667 WeakPolarHBondContact O-CB 3.21Å; R664-S667 PolarHBondContact O-N 3.34Å; R664-S667 PolarHBondContact O-OG 3.36Å; L665-S667 VanDerWaalsContact C-N 3.26Å; L665-S667 PolarHBondContact O-N 3.42Å; S667-P671 VanDerWaalsContact O-CD 3.22Å; S667-P671 WeakPolarHBondContact O-CD 3.47Å; S667-S739 VanDerWaalsContact CB-OG 3.3Å; S667-S739 WeakPolarHBondContact CB-OG 3.43Å |
| 668 | L | 84.2 | Confident | 84 | Confident | 96 Ų | 96 | 43.4 Ų | 43.4 | 50% | 0.503 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -82.8 | -33.3 | 175.5 | -62.4 | 173.4 | 0 | 0 | 0 | 112.3 | L607 R664 L665 N666 P671 | L607-L668 HydrophobicContact CD2-CB 4.11Å; L607-L668 HydrophobicContact CD2-CD1 4.12Å; R664-L668 PolarHBondContact O-N 2.99Å; L665-L668 WeakPolarHBondContact O-CB 3.32Å; L665-L668 PolarHBondContact O-N 3Å; N666-L668 VanDerWaalsContact C-N 3.26Å; N666-L668 PolarHBondContact O-N 3.4Å; L668-P671 WeakPolarHBondContact O-CD 3.34Å |
| 669 | I | 84.6 | Confident | 83.5 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -70.4 | -39.2 | 177.5 | -70.7 | 165.3 | 0 | 0 | 0 | 111.3 | Y597 V601 L606 L665 N666 A672 L673 F685 I689 | Y597-I669 WeakPolarHBondContact OH-CD1 3.44Å; V601-I669 HydrophobicContact CG1-CD1 3.88Å; V601-I669 HydrophobicContact CG1-CG1 4.27Å; V601-I669 HydrophobicContact CG2-CD1 3.74Å; L606-I669 HydrophobicContact CD2-CB 4.37Å; L606-I669 HydrophobicContact CD2-CG1 4.27Å; L606-I669 HydrophobicContact CD2-CG2 3.86Å; L665-I669 WeakPolarHBondContact O-CG1 3.44Å; L665-I669 PolarHBondContact O-N 3.33Å; N666-I669 PolarHBondContact O-N 3.28Å; I669-A672 CarbonylContact O-C 3.56Å; I669-A672 WeakPolarHBondContact O-CA 3.32Å; I669-A672 WeakPolarHBondContact O-CB 3.28Å; I669-A672 PolarHBondContact O-N 3.29Å; I669-L673 HydrophobicContact CG2-CD2 3.72Å; I669-L673 HydrophobicContact CG2-CG 4.11Å; I669-L673 PolarHBondContact O-N 3.3Å; I669-L673 VanDerWaalsContact O-N 3.14Å; I669-F685 HydrophobicContact CG2-CD1 4.23Å; I669-I689 HydrophobicContact CG2-CD1 4.49Å |
| 670 | F | 83.4 | Confident | 83 | Confident | 16 Ų | 16 | 54.2 Ų | 54.2 | 7% | 0.07 | 26% | 0.258 | C | S | . | . | G | 310 helix | trans | -52.8 | -48.3 | -172.7 | 172.1 | -114 | 0 | 0 | 0 | 113.9 | N666 A672 L673 F740 P743 I765 I766 | N666-F670 WeakPolarHBondContact O-CB 3.45Å; N666-F670 PolarHBondContact O-N 3.22Å; F670-A672 PolarHBondContact O-N 3.44Å; F670-L673 HydrophobicContact CD2-CD1 3.97Å; F670-L673 PolarHBondContact O-N 3.5Å; F670-F740 HydrophobicContact CB-CD1 4.08Å; F670-F740 HydrophobicContact CB-CE1 3.71Å; F670-F740 AromaticContact CD1-CD1 3.67Å; F670-F740 HydrophobicContact CD1-CD1 3.67Å; F670-F740 HydrophobicContact CD1-CE1 4.2Å; F670-F740 HydrophobicContact CD2-CD1 4.22Å; F670-F740 HydrophobicContact CD2-CE1 4.27Å; F670-F740 HydrophobicContact CE1-CD1 4.06Å; F670-F740 AromaticContact CG-CD1 3.74Å; F670-F740 HydrophobicContact CG-CD1 3.74Å; F670-F740 AromaticContact CG-CE1 3.83Å; F670-F740 HydrophobicContact CG-CE1 3.83Å; F670-P743 HydrophobicContact CE1-CG 3.5Å; F670-P743 HydrophobicContact CZ-CG 3.94Å; F670-I765 HydrophobicContact CD2-CB 4.45Å; F670-I765 HydrophobicContact CD2-CD1 3.69Å; F670-I765 HydrophobicContact CD2-CG2 4.03Å; F670-I765 HydrophobicContact CE2-CB 4.09Å; F670-I765 HydrophobicContact CE2-CD1 3.88Å; F670-I765 HydrophobicContact CE2-CG2 3.97Å; F670-I766 HydrophobicContact CZ-CD1 4.32Å; F670-I766 HydrophobicContact CZ-CG1 4.11Å |
| 671 | P | 79 | Confident | 82.7 | Confident | 74 Ų | 74 | 53.6 Ų | 53.6 | 48% | 0.481 | 26% | 0.255 | S | S | . | . | G | 310 helix | trans | -59.7 | -29 | 172.8 | -24.8 | 33.9 | 0 | 0 | 0 | 114.1 | S667 L668 H674 | S667-P671 VanDerWaalsContact O-CD 3.22Å; S667-P671 WeakPolarHBondContact O-CD 3.47Å; L668-P671 WeakPolarHBondContact O-CD 3.34Å; P671-H674 PolarHBondContact O-CE1 2.87Å; P671-H674 PolarHBondContact O-ND1 3.49Å |
| 672 | A | 79.6 | Confident | 82.4 | Confident | 6 Ų | 6 | 50.6 Ų | 50.6 | 5% | 0.05 | 24% | 0.243 | C | C | . | . | G | 310 helix | trans | -88.5 | -8.1 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114 | L606 I669 F670 H674 N675 | L606-A672 HydrophobicContact CD2-CB 3.94Å; I669-A672 CarbonylContact O-C 3.56Å; I669-A672 WeakPolarHBondContact O-CA 3.32Å; I669-A672 WeakPolarHBondContact O-CB 3.28Å; I669-A672 PolarHBondContact O-N 3.29Å; F670-A672 PolarHBondContact O-N 3.44Å; A672-H674 PolarHBondContact O-N 3.38Å; A672-H674 VanDerWaalsContact O-N 3.15Å; A672-N675 WeakPolarHBondContact O-CB 3.29Å; A672-N675 PolarHBondContact O-N 2.75Å |
| 673 | L | 79.7 | Confident | 82 | Confident | 9 Ų | 9 | 51.6 Ų | 51.6 | 5% | 0.047 | 25% | 0.249 | C | C | . | . | G | 310 helix | trans | -59.8 | -28.3 | -176.7 | -72.3 | 174.8 | 0 | 0 | 0 | 114.2 | I669 F670 N675 I676 R682 F685 V686 I689 I765 | I669-L673 HydrophobicContact CG2-CD2 3.72Å; I669-L673 HydrophobicContact CG2-CG 4.11Å; I669-L673 PolarHBondContact O-N 3.3Å; I669-L673 VanDerWaalsContact O-N 3.14Å; F670-L673 HydrophobicContact CD2-CD1 3.97Å; F670-L673 PolarHBondContact O-N 3.5Å; L673-N675 PolarHBondContact O-N 2.86Å; L673-I676 HydrophobicContact CD2-CD1 3.99Å; L673-I676 PolarHBondContact O-N 3.41Å; L673-R682 WeakPolarHBondContact O-CD 3.48Å; L673-F685 HydrophobicContact CD2-CB 3.55Å; L673-F685 HydrophobicContact CD2-CD2 4.49Å; L673-F685 HydrophobicContact CD2-CG 4.06Å; L673-V686 HydrophobicContact CD1-CG2 4.36Å; L673-I689 HydrophobicContact CD1-CD1 3.83Å; L673-I765 HydrophobicContact CD1-CD1 3.85Å |
| 674 | H | 75.5 | Confident | 81.8 | Confident | 127 Ų | 127 | 51.6 Ų | 51.6 | 59% | 0.588 | 25% | 0.248 | S | C | * | . | G | 310 helix | trans | -69.1 | -19.9 | 178.3 | 66.8 | -85 | 0 | 0 | 0 | 113 | P671 A672 I676 | P671-H674 PolarHBondContact O-CE1 2.87Å; P671-H674 PolarHBondContact O-ND1 3.49Å; A672-H674 PolarHBondContact O-N 3.38Å; A672-H674 VanDerWaalsContact O-N 3.15Å; H674-I676 VanDerWaalsContact C-N 3.25Å; H674-I676 PolarHBondContact O-N 2.88Å |
| 675 | N | 76.7 | Confident | 81.8 | Confident | 72 Ų | 72 | 45 Ų | 45 | 39% | 0.385 | 22% | 0.224 | S | C | . | . | G | 310 helix | trans | -81 | -5.6 | 178.3 | -64 | -25.2 | 0 | 0 | 0 | 112.8 | G609 A672 L673 N677 | G609-N675 PolarHBondContact O-ND2 2.94Å; A672-N675 WeakPolarHBondContact O-CB 3.29Å; A672-N675 PolarHBondContact O-N 2.75Å; L673-N675 PolarHBondContact O-N 2.86Å; N675-N677 PolarHBondContact O-N 3.48Å |
| 676 | I | 77.3 | Confident | 81.7 | Confident | 1 Ų | 1 | 44.8 Ų | 44.8 | 1% | 0.005 | 22% | 0.223 | C | C | . | . | trans | -85.7 | 110.2 | 176.9 | -53.9 | 176.9 | 0 | 0 | 0 | 109 | F611 L673 H674 I681 R682 F685 | F611-I676 HydrophobicContact CB-CG1 4.1Å; F611-I676 HydrophobicContact CD2-CD1 4.24Å; F611-I676 HydrophobicContact CD2-CG1 4.11Å; F611-I676 HydrophobicContact CG-CG1 4.02Å; L673-I676 HydrophobicContact CD2-CD1 3.99Å; L673-I676 PolarHBondContact O-N 3.41Å; H674-I676 VanDerWaalsContact C-N 3.25Å; H674-I676 PolarHBondContact O-N 2.88Å; I676-I681 HydrophobicContact CG2-CB 4.28Å; I676-I681 HydrophobicContact CG2-CG2 4.08Å; I676-R682 HydrophobicContact CB-CB 4.24Å; I676-R682 HydrophobicContact CG2-CB 4.07Å; I676-R682 PolarHBondContact O-NH1 3.44Å; I676-F685 HydrophobicContact CD1-CD2 3.65Å; I676-F685 HydrophobicContact CD1-CE2 3.9Å | ||
| 677 | N | 75.1 | Confident | 81.6 | Confident | 154 Ų | 154 | 45.5 Ų | 45.5 | 82% | 0.824 | 23% | 0.226 | S | C | * | . | trans | -70.7 | -37.8 | -179.9 | -71.5 | -19.2 | 0 | 0 | 0 | 112.7 | N675 R679 | N675-N677 PolarHBondContact O-N 3.48Å; N677-R679 PolarHBondContact O-N 3.47Å | ||
| 678 | E | 80.6 | Confident | 81.8 | Confident | 67 Ų | 67 | 44.9 Ų | 44.9 | 31% | 0.313 | 22% | 0.221 | S | C | . | . | trans | -75.7 | 116.2 | -179.1 | -76.2 | -174.8 | 178.7 | 0 | 0 | 111.9 | Y613 V619 L680 I681 R682 | Y613-E678 WeakPolarHBondContact OH-CB 3.38Å; Y613-E678 WeakPolarHBondContact OH-CG 3.39Å; Y613-E678 PolarHBondContact OH-OE1 3.45Å; Y613-E678 PolarHBondContact OH-OE2 3.04Å; V619-E678 WeakPolarHBondContact CG1-OE2 3.48Å; V619-E678 WeakPolarHBondContact CG2-OE1 3.34Å; V619-E678 VanDerWaalsContact CG2-OE2 3.31Å; V619-E678 WeakPolarHBondContact CG2-OE2 3.48Å; E678-L680 VanDerWaalsContact C-N 3.31Å; E678-L680 PolarHBondContact O-N 3.17Å; E678-I681 HydrophobicContact CB-CB 4.47Å; E678-I681 PolarHBondContact O-N 3.14Å; E678-I681 WeakPolarHBondContact OE2-CD1 3.24Å; E678-R682 WeakPolarHBondContact O-CB 3.46Å; E678-R682 PolarHBondContact O-N 3.35Å; E678-R682 VanDerWaalsContact O-N 3.08Å | ||
| 679 | R | 79.6 | Confident | 82.1 | Confident | 158 Ų | 158 | 40.3 Ų | 40.3 | 60% | 0.596 | 20% | 0.197 | S | C | * | . | H | α-helix | trans | -56.1 | -43.8 | -179 | -179.2 | 179.8 | 176.2 | -174.6 | -2.3 | 112.4 | N677 R682 L683 | N677-R679 PolarHBondContact O-N 3.47Å; R679-R682 PolarHBondContact O-N 3.2Å; R679-L683 HydrophobicContact CG-CD1 3.83Å; R679-L683 HydrophobicContact CG-CG 4.35Å; R679-L683 WeakPolarHBondContact O-CB 3.17Å; R679-L683 VanDerWaalsContact O-CG 3.28Å; R679-L683 WeakPolarHBondContact O-CG 3.15Å; R679-L683 PolarHBondContact O-N 3.36Å |
| 680 | L | 80.4 | Confident | 82.3 | Confident | 84 Ų | 84 | 40.4 Ų | 40.4 | 44% | 0.44 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -62.7 | -50 | -175.5 | -179.1 | 147.3 | 0 | 0 | 0 | 111.6 | H623 E678 R682 L683 S684 | H623-L680 HydrophobicContact CB-CD2 3.48Å; H623-L680 VanDerWaalsContact CB-CD2 3.48Å; H623-L680 VanDerWaalsContact CG-CD2 3.41Å; H623-L680 VanDerWaalsContact ND1-CD2 3.34Å; H623-L680 WeakPolarHBondContact ND1-CD2 3.31Å; E678-L680 VanDerWaalsContact C-N 3.31Å; E678-L680 PolarHBondContact O-N 3.17Å; L680-R682 PolarHBondContact O-N 3.15Å; L680-L683 PolarHBondContact O-N 2.86Å; L680-S684 PolarHBondContact O-N 3.16Å; L680-S684 PolarHBondContact O-OG 2.88Å |
| 681 | I | 82.4 | Confident | 82.6 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -63.4 | -43 | 177 | -66.9 | -177 | 0 | 0 | 0 | 111.2 | F611 Y613 V619 V622 L626 I676 E678 L683 S684 F685 | F611-I681 HydrophobicContact CZ-CG2 4.18Å; Y613-I681 HydrophobicContact CD1-CD1 4.47Å; Y613-I681 HydrophobicContact CE1-CD1 3.4Å; Y613-I681 VanDerWaalsContact CE1-CD1 3.4Å; V619-I681 HydrophobicContact CG1-CD1 4.08Å; V619-I681 HydrophobicContact CG1-CG1 4.26Å; V622-I681 HydrophobicContact CB-CD1 4.11Å; V622-I681 HydrophobicContact CG1-CD1 3.92Å; V622-I681 HydrophobicContact CG1-CG1 4.36Å; V622-I681 HydrophobicContact CG1-CG2 4.28Å; L626-I681 HydrophobicContact CD1-CG2 4.16Å; I676-I681 HydrophobicContact CG2-CB 4.28Å; I676-I681 HydrophobicContact CG2-CG2 4.08Å; E678-I681 HydrophobicContact CB-CB 4.47Å; E678-I681 PolarHBondContact O-N 3.14Å; E678-I681 WeakPolarHBondContact OE2-CD1 3.24Å; I681-L683 VanDerWaalsContact C-N 3.28Å; I681-L683 PolarHBondContact O-N 3.4Å; I681-S684 PolarHBondContact O-N 3.4Å; I681-S684 VanDerWaalsContact O-N 3.14Å; I681-F685 HydrophobicContact CG2-CD2 3.73Å; I681-F685 HydrophobicContact CG2-CE2 3.61Å; I681-F685 WeakPolarHBondContact O-CD2 3.48Å; I681-F685 PolarHBondContact O-N 3.27Å |
| 682 | R | 82.8 | Confident | 83.2 | Confident | 39 Ų | 39 | 37.1 Ų | 37.1 | 15% | 0.147 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -57.6 | -43.1 | 177.5 | -172.3 | 172 | 65.6 | -158.4 | 7.3 | 111.4 | L673 I676 E678 R679 L680 V686 I761 | L673-R682 WeakPolarHBondContact O-CD 3.48Å; I676-R682 HydrophobicContact CB-CB 4.24Å; I676-R682 HydrophobicContact CG2-CB 4.07Å; I676-R682 PolarHBondContact O-NH1 3.44Å; E678-R682 WeakPolarHBondContact O-CB 3.46Å; E678-R682 PolarHBondContact O-N 3.35Å; E678-R682 VanDerWaalsContact O-N 3.08Å; R679-R682 PolarHBondContact O-N 3.2Å; L680-R682 PolarHBondContact O-N 3.15Å; R682-V686 WeakPolarHBondContact O-CG2 3.41Å; R682-V686 PolarHBondContact O-N 3.36Å; R682-I761 HydrophobicContact CG-CD1 4.3Å; R682-I761 VanDerWaalsContact NE-CD1 3.31Å |
| 683 | L | 82.6 | Confident | 83.8 | Confident | 21 Ų | 21 | 36.9 Ų | 36.9 | 11% | 0.11 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -68.4 | -36.2 | 176.5 | -71.9 | 172 | 0 | 0 | 0 | 112.8 | F521 R679 L680 I681 V686 E687 I761 | F521-L683 HydrophobicContact CD1-CB 4.25Å; F521-L683 HydrophobicContact CD1-CD1 3.74Å; F521-L683 HydrophobicContact CD1-CD2 3.93Å; F521-L683 HydrophobicContact CD1-CG 4.19Å; F521-L683 HydrophobicContact CD2-CD1 4.03Å; F521-L683 HydrophobicContact CE1-CB 3.58Å; F521-L683 HydrophobicContact CE1-CD1 3.87Å; F521-L683 HydrophobicContact CE1-CD2 4.03Å; F521-L683 HydrophobicContact CE1-CG 4.02Å; F521-L683 HydrophobicContact CE2-CD1 4.13Å; F521-L683 HydrophobicContact CG-CD1 3.82Å; F521-L683 HydrophobicContact CZ-CB 3.72Å; F521-L683 HydrophobicContact CZ-CD1 4.05Å; F521-L683 HydrophobicContact CZ-CG 4.41Å; R679-L683 HydrophobicContact CG-CD1 3.83Å; R679-L683 HydrophobicContact CG-CG 4.35Å; R679-L683 WeakPolarHBondContact O-CB 3.17Å; R679-L683 VanDerWaalsContact O-CG 3.28Å; R679-L683 WeakPolarHBondContact O-CG 3.15Å; R679-L683 PolarHBondContact O-N 3.36Å; L680-L683 PolarHBondContact O-N 2.86Å; I681-L683 VanDerWaalsContact C-N 3.28Å; I681-L683 PolarHBondContact O-N 3.4Å; L683-V686 WeakPolarHBondContact O-CB 3.28Å; L683-V686 PolarHBondContact O-N 2.96Å; L683-E687 PolarHBondContact O-N 3.13Å; L683-I761 HydrophobicContact CD2-CD1 4.24Å; L683-I761 HydrophobicContact CD2-CG1 4.23Å |
| 684 | S | 85.4 | Confident | 84.1 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -65.4 | -39.8 | 175.3 | -54.4 | 0 | 0 | 0 | 0 | 112.8 | H623 L680 I681 V686 E687 V688 | H623-S684 PolarHBondContact CE1-OG 2.93Å; H623-S684 PolarHBondContact ND1-OG 3.13Å; L680-S684 PolarHBondContact O-N 3.16Å; L680-S684 PolarHBondContact O-OG 2.88Å; I681-S684 PolarHBondContact O-N 3.4Å; I681-S684 VanDerWaalsContact O-N 3.14Å; S684-V686 VanDerWaalsContact C-N 3.28Å; S684-V686 PolarHBondContact O-N 3.44Å; S684-E687 WeakPolarHBondContact O-CB 3.5Å; S684-E687 PolarHBondContact O-N 3.38Å; S684-V688 WeakPolarHBondContact O-CG2 3.5Å; S684-V688 PolarHBondContact O-N 2.6Å |
| 685 | F | 88.2 | Confident | 84.8 | Confident | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -62.5 | -38.2 | 172 | -86 | -70.2 | 0 | 0 | 0 | 112.2 | Y597 L600 V601 L606 F611 L626 I669 L673 I676 I681 E687 V688 I689 | Y597-F685 HydrophobicContact CE2-CE1 4.19Å; L600-F685 HydrophobicContact CD2-CZ 4.24Å; V601-F685 HydrophobicContact CG2-CE1 4.47Å; L606-F685 HydrophobicContact CD1-CE1 4.12Å; L606-F685 HydrophobicContact CD1-CE2 3.98Å; L606-F685 HydrophobicContact CD1-CZ 3.5Å; F611-F685 HydrophobicContact CE2-CE2 4Å; F611-F685 HydrophobicContact CE2-CZ 4.37Å; L626-F685 HydrophobicContact CD1-CD1 4.36Å; L626-F685 HydrophobicContact CD1-CD2 3.73Å; L626-F685 HydrophobicContact CD1-CE1 4.35Å; L626-F685 HydrophobicContact CD1-CE2 3.71Å; L626-F685 HydrophobicContact CD1-CG 4.06Å; L626-F685 HydrophobicContact CD1-CZ 4.03Å; L626-F685 HydrophobicContact CD2-CD1 3.74Å; L626-F685 HydrophobicContact CD2-CE1 3.53Å; L626-F685 HydrophobicContact CD2-CE2 4.38Å; L626-F685 HydrophobicContact CD2-CG 4.25Å; L626-F685 HydrophobicContact CD2-CZ 3.87Å; I669-F685 HydrophobicContact CG2-CD1 4.23Å; L673-F685 HydrophobicContact CD2-CB 3.55Å; L673-F685 HydrophobicContact CD2-CD2 4.49Å; L673-F685 HydrophobicContact CD2-CG 4.06Å; I676-F685 HydrophobicContact CD1-CD2 3.65Å; I676-F685 HydrophobicContact CD1-CE2 3.9Å; I681-F685 HydrophobicContact CG2-CD2 3.73Å; I681-F685 HydrophobicContact CG2-CE2 3.61Å; I681-F685 WeakPolarHBondContact O-CD2 3.48Å; I681-F685 PolarHBondContact O-N 3.27Å; F685-E687 VanDerWaalsContact C-N 3.33Å; F685-V688 WeakPolarHBondContact O-CB 3.49Å; F685-V688 PolarHBondContact O-N 3.44Å; F685-I689 VanDerWaalsContact O-CG1 3.26Å; F685-I689 WeakPolarHBondContact O-CG1 3.2Å; F685-I689 PolarHBondContact O-N 3.43Å |
| 686 | V | 84.8 | Confident | 85.4 | Confident | 3 Ų | 3 | 30 Ų | 30 | 2% | 0.018 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -63.4 | -43.6 | 177.1 | 172.6 | 0 | 0 | 0 | 0 | 110.4 | L673 R682 L683 S684 V688 I689 V690 I761 I765 | L673-V686 HydrophobicContact CD1-CG2 4.36Å; R682-V686 WeakPolarHBondContact O-CG2 3.41Å; R682-V686 PolarHBondContact O-N 3.36Å; L683-V686 WeakPolarHBondContact O-CB 3.28Å; L683-V686 PolarHBondContact O-N 2.96Å; S684-V686 VanDerWaalsContact C-N 3.28Å; S684-V686 PolarHBondContact O-N 3.44Å; V686-V688 PolarHBondContact O-N 3.31Å; V686-I689 PolarHBondContact O-N 2.92Å; V686-V690 HydrophobicContact CG1-CG2 4.27Å; V686-V690 WeakPolarHBondContact O-CB 3.4Å; V686-V690 VanDerWaalsContact O-CG2 3.24Å; V686-V690 WeakPolarHBondContact O-CG2 3.41Å; V686-V690 PolarHBondContact O-N 3.08Å; V686-I761 HydrophobicContact CB-CG2 4.33Å; V686-I761 HydrophobicContact CG1-CG2 4.32Å; V686-I761 HydrophobicContact CG2-CG2 3.18Å; V686-I765 HydrophobicContact CB-CD1 4.41Å; V686-I765 HydrophobicContact CG1-CD1 4.19Å; V686-I765 HydrophobicContact CG1-CG1 4.05Å; V686-I765 HydrophobicContact CG2-CD1 4.09Å |
| 687 | E | 86.2 | Confident | 85.8 | Confident | 15 Ų | 15 | 33.9 Ų | 33.9 | 7% | 0.07 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -59 | -46.4 | 175 | -168.8 | 63.1 | -151.2 | 0 | 0 | 111.6 | A630 L683 S684 F685 I689 V690 Q691 R764 | A630-E687 HydrophobicContact CB-CG 4Å; L683-E687 PolarHBondContact O-N 3.13Å; S684-E687 WeakPolarHBondContact O-CB 3.5Å; S684-E687 PolarHBondContact O-N 3.38Å; F685-E687 VanDerWaalsContact C-N 3.33Å; E687-I689 VanDerWaalsContact C-N 3.33Å; E687-I689 PolarHBondContact O-N 3.18Å; E687-V690 PolarHBondContact O-N 2.69Å; E687-Q691 HydrophobicContact CG-CG 4.19Å; E687-Q691 WeakPolarHBondContact O-CB 3.48Å; E687-Q691 VanDerWaalsContact O-CG 3.31Å; E687-Q691 WeakPolarHBondContact O-CG 3.48Å; E687-Q691 PolarHBondContact O-N 3.14Å; E687-Q691 WeakPolarHBondContact OE1-CG 3.47Å; E687-Q691 PolarHBondContact OE1-NE2 3.44Å; E687-R764 IonicContact OE1-NH2 2.63Å; E687-R764 IonicContact OE2-CZ 3.42Å; E687-R764 IonicContact OE2-NH1 3.87Å; E687-R764 PolarHBondContact OE2-NH1 3.11Å; E687-R764 IonicContact OE2-NH2 3.45Å; E687-R764 PolarHBondContact OE2-NH2 3.22Å; E687-R764 VanDerWaalsContact OE2-NH2 3.09Å |
| 688 | V | 89.6 | Confident | 86.2 | Confident | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -55.2 | -48.4 | 175.6 | 164.6 | 0 | 0 | 0 | 0 | 111.5 | Y597 L626 F629 A630 S684 F685 V686 Q691 V692 | Y597-V688 HydrophobicContact CE2-CG1 4.09Å; L626-V688 HydrophobicContact CB-CG2 4.15Å; L626-V688 HydrophobicContact CD2-CG2 4.19Å; L626-V688 WeakPolarHBondContact O-CG2 3.42Å; F629-V688 HydrophobicContact CD1-CB 4.32Å; F629-V688 HydrophobicContact CD1-CG1 3.45Å; F629-V688 VanDerWaalsContact CD1-CG1 3.45Å; F629-V688 HydrophobicContact CD1-CG2 4Å; F629-V688 HydrophobicContact CE1-CG1 3.63Å; A630-V688 HydrophobicContact CB-CG2 4.17Å; S684-V688 WeakPolarHBondContact O-CG2 3.5Å; S684-V688 PolarHBondContact O-N 2.6Å; F685-V688 WeakPolarHBondContact O-CB 3.49Å; F685-V688 PolarHBondContact O-N 3.44Å; V686-V688 PolarHBondContact O-N 3.31Å; V688-Q691 PolarHBondContact O-N 2.97Å; V688-V692 VanDerWaalsContact O-CG2 3.27Å; V688-V692 WeakPolarHBondContact O-CG2 3.31Å; V688-V692 PolarHBondContact O-N 2.9Å |
| 689 | I | 90.3 | Very high | 86.4 | Confident | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -64.9 | -45.1 | -178.5 | -63.4 | 168.3 | 0 | 0 | 0 | 110.6 | N666 I669 L673 F685 V686 E687 V692 L693 F740 I765 | N666-I689 HydrophobicContact CB-CG1 3.9Å; N666-I689 HydrophobicContact CB-CG2 4.48Å; I669-I689 HydrophobicContact CG2-CD1 4.49Å; L673-I689 HydrophobicContact CD1-CD1 3.83Å; F685-I689 VanDerWaalsContact O-CG1 3.26Å; F685-I689 WeakPolarHBondContact O-CG1 3.2Å; F685-I689 PolarHBondContact O-N 3.43Å; V686-I689 PolarHBondContact O-N 2.92Å; E687-I689 VanDerWaalsContact C-N 3.33Å; E687-I689 PolarHBondContact O-N 3.18Å; I689-V692 PolarHBondContact O-N 3.34Å; I689-L693 HydrophobicContact CG2-CD1 4.06Å; I689-L693 WeakPolarHBondContact O-CG 3.36Å; I689-L693 PolarHBondContact O-N 3.17Å; I689-L693 VanDerWaalsContact O-N 3.08Å; I689-F740 HydrophobicContact CG2-CE1 3.83Å; I689-F740 HydrophobicContact CG2-CZ 3.84Å; I689-I765 HydrophobicContact CB-CD1 4.24Å; I689-I765 HydrophobicContact CB-CG1 4.34Å; I689-I765 HydrophobicContact CD1-CD1 3.83Å; I689-I765 HydrophobicContact CG2-CB 4.46Å; I689-I765 HydrophobicContact CG2-CD1 4.16Å; I689-I765 HydrophobicContact CG2-CG1 4.06Å; I689-I765 HydrophobicContact CG2-CG2 3.65Å |
| 690 | V | 88.1 | Confident | 86.5 | Confident | 3 Ų | 3 | 18.4 Ų | 18.4 | 2% | 0.018 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -62.4 | -46.9 | 179.1 | 169.1 | 0 | 0 | 0 | 0 | 110.6 | V686 E687 V692 L693 L694 R764 I765 | V686-V690 HydrophobicContact CG1-CG2 4.27Å; V686-V690 WeakPolarHBondContact O-CB 3.4Å; V686-V690 VanDerWaalsContact O-CG2 3.24Å; V686-V690 WeakPolarHBondContact O-CG2 3.41Å; V686-V690 PolarHBondContact O-N 3.08Å; E687-V690 PolarHBondContact O-N 2.69Å; V690-V692 PolarHBondContact O-N 3.48Å; V690-L693 PolarHBondContact O-N 3Å; V690-L694 HydrophobicContact CG1-CD1 3.7Å; V690-L694 HydrophobicContact CG1-CG 4.1Å; V690-L694 WeakPolarHBondContact O-CB 3.22Å; V690-L694 VanDerWaalsContact O-CG 3.3Å; V690-L694 WeakPolarHBondContact O-CG 3.29Å; V690-L694 PolarHBondContact O-N 3.35Å; V690-R764 HydrophobicContact CG2-CG 3.93Å; V690-I765 HydrophobicContact CG2-CG1 4.16Å |
| 691 | Q | 90 | Very high | 86.4 | Confident | 20 Ų | 20 | 18.3 Ų | 18.3 | 9% | 0.093 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -63.9 | -41 | 179.9 | -70 | -58.1 | -20.9 | 0 | 0 | 112.1 | A630 V633 E687 V688 L693 L694 V695 | A630-Q691 HydrophobicContact CB-CB 4.48Å; A630-Q691 HydrophobicContact CB-CG 4.11Å; V633-Q691 HydrophobicContact CG1-CB 4.33Å; E687-Q691 HydrophobicContact CG-CG 4.19Å; E687-Q691 WeakPolarHBondContact O-CB 3.48Å; E687-Q691 VanDerWaalsContact O-CG 3.31Å; E687-Q691 WeakPolarHBondContact O-CG 3.48Å; E687-Q691 PolarHBondContact O-N 3.14Å; E687-Q691 WeakPolarHBondContact OE1-CG 3.47Å; E687-Q691 PolarHBondContact OE1-NE2 3.44Å; V688-Q691 PolarHBondContact O-N 2.97Å; Q691-L693 VanDerWaalsContact C-N 3.33Å; Q691-L693 PolarHBondContact O-N 3.11Å; Q691-L694 PolarHBondContact O-N 2.85Å; Q691-V695 WeakPolarHBondContact O-CB 3.45Å; Q691-V695 VanDerWaalsContact O-CG2 3.27Å; Q691-V695 WeakPolarHBondContact O-CG2 3.32Å; Q691-V695 PolarHBondContact O-N 3.19Å |
| 692 | V | 92.8 | Very high | 85.9 | Confident | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -60.9 | -43 | 174.4 | 176.4 | 0 | 0 | 0 | 0 | 110.9 | F629 V633 C662 L663 V688 I689 V690 W696 | F629-V692 HydrophobicContact CE1-CG2 3.98Å; F629-V692 HydrophobicContact CZ-CG2 4.43Å; V633-V692 HydrophobicContact CG1-CG2 4.05Å; V633-V692 HydrophobicContact CG2-CG2 4.3Å; C662-V692 HydrophobicContact CB-CG1 4.36Å; C662-V692 HydrophobicContact CB-CG2 4.46Å; L663-V692 HydrophobicContact CD2-CG1 3.58Å; L663-V692 HydrophobicContact CG-CG1 3.8Å; V688-V692 VanDerWaalsContact O-CG2 3.27Å; V688-V692 WeakPolarHBondContact O-CG2 3.31Å; V688-V692 PolarHBondContact O-N 2.9Å; I689-V692 PolarHBondContact O-N 3.34Å; V690-V692 PolarHBondContact O-N 3.48Å; V692-W696 VanDerWaalsContact O-CD1 3.26Å; V692-W696 PolarHBondContact O-N 3.42Å |
| 693 | L | 90.6 | Very high | 85.5 | Confident | 2 Ų | 2 | 19.9 Ų | 19.9 | 1% | 0.01 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -65.1 | -41.8 | 175.9 | -69.7 | 167.9 | 0 | 0 | 0 | 112.3 | L663 I689 V690 Q691 W696 R697 I765 C769 L772 | L663-L693 HydrophobicContact CD2-CD2 3.69Å; L663-L693 HydrophobicContact CD2-CG 4.24Å; I689-L693 HydrophobicContact CG2-CD1 4.06Å; I689-L693 WeakPolarHBondContact O-CG 3.36Å; I689-L693 PolarHBondContact O-N 3.17Å; I689-L693 VanDerWaalsContact O-N 3.08Å; V690-L693 PolarHBondContact O-N 3Å; Q691-L693 VanDerWaalsContact C-N 3.33Å; Q691-L693 PolarHBondContact O-N 3.11Å; L693-W696 PolarHBondContact O-N 2.91Å; L693-R697 PolarHBondContact O-N 3.36Å; L693-I765 HydrophobicContact CD1-CG2 4.32Å; L693-C769 HydrophobicContact CD1-CB 4.11Å; L693-L772 HydrophobicContact CD2-CD1 4.15Å; L693-L772 WeakPolarHBondContact O-CD1 3.23Å |
| 694 | L | 87.1 | Confident | 85.1 | Confident | 54 Ų | 54 | 19.1 Ų | 19.1 | 28% | 0.283 | 11% | 0.111 | S | C | . | . | H | α-helix | trans | -66.8 | -37.2 | 179.1 | -72.4 | 176.9 | 0 | 0 | 0 | 112.2 | V690 Q691 R697 A698 | V690-L694 HydrophobicContact CG1-CD1 3.7Å; V690-L694 HydrophobicContact CG1-CG 4.1Å; V690-L694 WeakPolarHBondContact O-CB 3.22Å; V690-L694 VanDerWaalsContact O-CG 3.3Å; V690-L694 WeakPolarHBondContact O-CG 3.29Å; V690-L694 PolarHBondContact O-N 3.35Å; Q691-L694 PolarHBondContact O-N 2.85Å; L694-R697 WeakPolarHBondContact O-CB 3.32Å; L694-R697 PolarHBondContact O-N 3.47Å; L694-A698 WeakPolarHBondContact O-CB 3.37Å; L694-A698 PolarHBondContact O-N 3.48Å |
| 695 | V | 89.6 | Confident | 84.7 | Confident | 5 Ų | 5 | 19.2 Ų | 19.2 | 3% | 0.03 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -65.9 | -45.4 | 176.5 | 167.7 | 0 | 0 | 0 | 0 | 111.2 | V633 L659 Q691 R697 A698 L699 | V633-V695 HydrophobicContact CG1-CB 4.04Å; V633-V695 HydrophobicContact CG1-CG2 3.53Å; V633-V695 VanDerWaalsContact O-CG2 3.24Å; V633-V695 WeakPolarHBondContact O-CG2 3.41Å; L659-V695 HydrophobicContact CD1-CG1 4.02Å; Q691-V695 WeakPolarHBondContact O-CB 3.45Å; Q691-V695 VanDerWaalsContact O-CG2 3.27Å; Q691-V695 WeakPolarHBondContact O-CG2 3.32Å; Q691-V695 PolarHBondContact O-N 3.19Å; V695-R697 VanDerWaalsContact C-N 3.27Å; V695-R697 PolarHBondContact O-N 3.01Å; V695-A698 PolarHBondContact O-N 3.46Å; V695-A698 VanDerWaalsContact O-N 3.17Å; V695-L699 HydrophobicContact CG1-CD1 3.82Å; V695-L699 HydrophobicContact CG1-CG 4.3Å; V695-L699 WeakPolarHBondContact O-CB 3.44Å; V695-L699 WeakPolarHBondContact O-CG 3.43Å; V695-L699 PolarHBondContact O-N 3.43Å |
| 696 | W | 89.3 | Confident | 84 | Confident | 4 Ų | 4 | 19.2 Ų | 19.2 | 2% | 0.015 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -58 | -42.3 | 172.5 | -86.5 | 107.3 | 0 | 0 | 0 | 112.1 | L656 L659 M660 L663 V692 L693 L699 I700 I705 F729 L772 | L656-W696 HydrophobicContact CD2-CH2 4.02Å; L656-W696 HydrophobicContact CD2-CZ3 4.21Å; L659-W696 HydrophobicContact CB-CZ2 3.86Å; M660-W696 HydrophobicContact CB-CZ2 4.2Å; M660-W696 HydrophobicContact CE-CH2 4.01Å; M660-W696 HydrophobicContact CE-CZ2 3.87Å; L663-W696 VanDerWaalsContact CD1-CD1 3.41Å; L663-W696 HydrophobicContact CD1-CD2 4.41Å; L663-W696 HydrophobicContact CD1-CG 4.11Å; L663-W696 VanDerWaalsContact CD1-NE1 3.25Å; V692-W696 VanDerWaalsContact O-CD1 3.26Å; V692-W696 PolarHBondContact O-N 3.42Å; L693-W696 PolarHBondContact O-N 2.91Å; W696-L699 PolarHBondContact O-N 3.23Å; W696-I700 WeakPolarHBondContact O-CD1 3.34Å; W696-I700 VanDerWaalsContact O-CG1 3.23Å; W696-I700 WeakPolarHBondContact O-CG1 3.39Å; W696-I700 PolarHBondContact O-N 3.28Å; W696-I705 HydrophobicContact CE3-CD1 4.17Å; W696-I705 HydrophobicContact CZ3-CD1 3.77Å; W696-F729 AromaticContact CH2-CE2 3.58Å; W696-F729 HydrophobicContact CH2-CE2 3.58Å; W696-F729 HydrophobicContact CH2-CZ 4.12Å; W696-F729 HydrophobicContact CZ2-CE2 4.48Å; W696-F729 AromaticContact CZ3-CE2 3.7Å; W696-F729 HydrophobicContact CZ3-CE2 3.7Å; W696-F729 AromaticContact CZ3-CZ 3.75Å; W696-F729 HydrophobicContact CZ3-CZ 3.75Å; W696-L772 HydrophobicContact CB-CD1 3.25Å; W696-L772 HydrophobicContact CG-CD1 4.23Å |
| 697 | R | 86.2 | Confident | 83.4 | Confident | 82 Ų | 82 | 19.8 Ų | 19.8 | 31% | 0.309 | 11% | 0.113 | S | C | . | . | H | α-helix | trans | -60.7 | -47 | 174.8 | 179.7 | -178.8 | 172.6 | -148.5 | -11.7 | 111.4 | L693 L694 V695 L699 I700 V701 Q771 C775 | L693-R697 PolarHBondContact O-N 3.36Å; L694-R697 WeakPolarHBondContact O-CB 3.32Å; L694-R697 PolarHBondContact O-N 3.47Å; V695-R697 VanDerWaalsContact C-N 3.27Å; V695-R697 PolarHBondContact O-N 3.01Å; R697-L699 VanDerWaalsContact C-N 3.34Å; R697-L699 PolarHBondContact O-N 3.3Å; R697-I700 PolarHBondContact O-N 2.99Å; R697-V701 HydrophobicContact CG-CG2 4.3Å; R697-V701 WeakPolarHBondContact O-CB 3.15Å; R697-V701 VanDerWaalsContact O-CG2 3.25Å; R697-V701 WeakPolarHBondContact O-CG2 3.42Å; R697-V701 PolarHBondContact O-N 3.25Å; R697-Q771 VanDerWaalsContact NH1-CD 3.32Å; R697-C775 HydrophobicContact CG-CB 4.15Å; R697-C775 PolarHBondContact NE-SG 3.36Å; R697-C775 VanDerWaalsContact NE-SG 3.38Å |
| 698 | A | 84.1 | Confident | 82.4 | Confident | 46 Ų | 46 | 21 Ų | 21 | 38% | 0.38 | 12% | 0.12 | S | C | . | . | H | α-helix | trans | -61 | -43.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | L694 V695 I700 V701 S702 | L694-A698 WeakPolarHBondContact O-CB 3.37Å; L694-A698 PolarHBondContact O-N 3.48Å; V695-A698 PolarHBondContact O-N 3.46Å; V695-A698 VanDerWaalsContact O-N 3.17Å; A698-I700 PolarHBondContact O-N 2.95Å; A698-V701 PolarHBondContact O-N 3.44Å; A698-S702 WeakPolarHBondContact O-CB 3.41Å; A698-S702 PolarHBondContact O-N 2.83Å; A698-S702 PolarHBondContact O-OG 2.8Å; A698-S702 VanDerWaalsContact O-OG 3.1Å |
| 699 | L | 84.1 | Confident | 80.9 | Confident | 4 Ų | 4 | 24.9 Ų | 24.9 | 2% | 0.021 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -63.1 | -38.3 | 176.6 | -69 | 167.8 | 0 | 0 | 0 | 113 | L656 L659 V695 W696 R697 S702 G703 S704 I705 | L656-L699 HydrophobicContact CD2-CD1 4.01Å; L659-L699 HydrophobicContact CD1-CD1 4.13Å; V695-L699 HydrophobicContact CG1-CD1 3.82Å; V695-L699 HydrophobicContact CG1-CG 4.3Å; V695-L699 WeakPolarHBondContact O-CB 3.44Å; V695-L699 WeakPolarHBondContact O-CG 3.43Å; V695-L699 PolarHBondContact O-N 3.43Å; W696-L699 PolarHBondContact O-N 3.23Å; R697-L699 VanDerWaalsContact C-N 3.34Å; R697-L699 PolarHBondContact O-N 3.3Å; L699-S702 PolarHBondContact O-OG 3.44Å; L699-S702 VanDerWaalsContact O-OG 3.12Å; L699-G703 PolarHBondContact O-N 3.25Å; L699-S704 PolarHBondContact O-N 2.68Å; L699-S704 PolarHBondContact O-OG 2.99Å; L699-I705 HydrophobicContact CB-CD1 3.53Å; L699-I705 HydrophobicContact CB-CG1 4.09Å; L699-I705 HydrophobicContact CD1-CD1 4.09Å; L699-I705 HydrophobicContact CG-CD1 4.29Å |
| 700 | I | 80.9 | Confident | 79.1 | Confident | 4 Ų | 4 | 28.1 Ų | 28.1 | 2% | 0.021 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -71.2 | -42.5 | 176.9 | -66.4 | 162.9 | 0 | 0 | 0 | 110.7 | W696 R697 A698 G703 L776 I784 | W696-I700 WeakPolarHBondContact O-CD1 3.34Å; W696-I700 VanDerWaalsContact O-CG1 3.23Å; W696-I700 WeakPolarHBondContact O-CG1 3.39Å; W696-I700 PolarHBondContact O-N 3.28Å; R697-I700 PolarHBondContact O-N 2.99Å; A698-I700 PolarHBondContact O-N 2.95Å; I700-G703 PolarHBondContact O-N 3.29Å; I700-L776 HydrophobicContact CD1-CD1 3.93Å; I700-I784 HydrophobicContact CG1-CD1 4.46Å; I700-I784 HydrophobicContact CG1-CG2 4.24Å; I700-I784 HydrophobicContact CG2-CD1 4.47Å |
| 701 | V | 78.3 | Confident | 77.4 | Confident | 83 Ų | 83 | 32.9 Ų | 32.9 | 50% | 0.503 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -71.4 | -32.4 | -178.4 | 172.6 | 0 | 0 | 0 | 0 | 112.1 | R697 A698 G703 C775 F781 | R697-V701 HydrophobicContact CG-CG2 4.3Å; R697-V701 WeakPolarHBondContact O-CB 3.15Å; R697-V701 VanDerWaalsContact O-CG2 3.25Å; R697-V701 WeakPolarHBondContact O-CG2 3.42Å; R697-V701 PolarHBondContact O-N 3.25Å; A698-V701 PolarHBondContact O-N 3.44Å; V701-G703 PolarHBondContact O-N 3.17Å; V701-C775 HydrophobicContact CG2-CB 4.19Å; V701-F781 VanDerWaalsContact O-CE2 3.23Å; V701-F781 WeakPolarHBondContact O-CE2 3.38Å |
| 702 | S | 73.3 | Confident | 75.5 | Confident | 66 Ų | 66 | 39 Ų | 39 | 46% | 0.462 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74 | -13.8 | 174.7 | 63.8 | 0 | 0 | 0 | 0 | 113 | A698 L699 S704 | A698-S702 WeakPolarHBondContact O-CB 3.41Å; A698-S702 PolarHBondContact O-N 2.83Å; A698-S702 PolarHBondContact O-OG 2.8Å; A698-S702 VanDerWaalsContact O-OG 3.1Å; L699-S702 PolarHBondContact O-OG 3.44Å; L699-S702 VanDerWaalsContact O-OG 3.12Å; S702-S704 PolarHBondContact O-N 3.03Å; S702-S704 WeakPolarHBondContact OG-CB 3.34Å; S702-S704 PolarHBondContact OG-OG 2.95Å; S702-S704 VanDerWaalsContact OG-OG 3.06Å |
| 703 | G | 74 | Confident | 73.5 | Confident | 5 Ų | 5 | 46.3 Ų | 46.3 | 5% | 0.052 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 69.1 | 20.1 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | L699 I700 V701 I705 K718 | L699-G703 PolarHBondContact O-N 3.25Å; I700-G703 PolarHBondContact O-N 3.29Å; V701-G703 PolarHBondContact O-N 3.17Å; G703-I705 VanDerWaalsContact C-N 3.34Å; G703-K718 WeakPolarHBondContact O-CE 3.48Å |
| 704 | S | 73.7 | Confident | 71.8 | Confident | 6 Ų | 6 | 49.3 Ų | 49.3 | 4% | 0.042 | 28% | 0.282 | C | S | . | . | trans | -80.4 | -10.4 | -176.5 | 64.5 | 0 | 0 | 0 | 0 | 114 | L699 S702 K718 I719 | L699-S704 PolarHBondContact O-N 2.68Å; L699-S704 PolarHBondContact O-OG 2.99Å; S702-S704 PolarHBondContact O-N 3.03Å; S702-S704 WeakPolarHBondContact OG-CB 3.34Å; S702-S704 PolarHBondContact OG-OG 2.95Å; S702-S704 VanDerWaalsContact OG-OG 3.06Å; S704-K718 CarbonylContact O-C 3.55Å; S704-K718 VanDerWaalsContact O-CA 3.26Å; S704-K718 WeakPolarHBondContact O-CA 3.32Å; S704-I719 PolarHBondContact O-N 3.18Å | ||
| 705 | I | 76.9 | Confident | 70.4 | Confident | 2 Ų | 2 | 49.3 Ų | 49.3 | 1% | 0.01 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 147.5 | 175.3 | -56.9 | 172.8 | 0 | 0 | 0 | 109.2 | L656 W696 L699 G703 L721 I784 | L656-I705 HydrophobicContact CD1-CD1 4.46Å; L656-I705 HydrophobicContact CD1-CG1 4.29Å; L656-I705 HydrophobicContact CD1-CG2 4.38Å; L656-I705 HydrophobicContact CD2-CD1 3.58Å; L656-I705 HydrophobicContact CD2-CG1 4.1Å; W696-I705 HydrophobicContact CE3-CD1 4.17Å; W696-I705 HydrophobicContact CZ3-CD1 3.77Å; L699-I705 HydrophobicContact CB-CD1 3.53Å; L699-I705 HydrophobicContact CB-CG1 4.09Å; L699-I705 HydrophobicContact CD1-CD1 4.09Å; L699-I705 HydrophobicContact CG-CD1 4.29Å; G703-I705 VanDerWaalsContact C-N 3.34Å; I705-L721 HydrophobicContact CG2-CD1 4.42Å; I705-I784 HydrophobicContact CB-CD1 3.69Å; I705-I784 HydrophobicContact CB-CG1 4.07Å; I705-I784 HydrophobicContact CG2-CD1 4.41Å; I705-I784 HydrophobicContact CG2-CG1 4.28Å; I705-I784 WeakPolarHBondContact O-CD1 3.44Å; I705-I784 WeakPolarHBondContact O-CG1 3.32Å |
| 706 | G | 74.5 | Confident | 68.9 | Low | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.2 | 167.9 | 166.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | I719 Y720 L721 | G706-I719 PolarHBondContact N-O 3.42Å; G706-I719 VanDerWaalsContact N-O 3.1Å; G706-Y720 CarbonylContact O-C 3.53Å; G706-Y720 VanDerWaalsContact O-CA 3.27Å; G706-Y720 WeakPolarHBondContact O-CA 3.33Å; G706-L721 PolarHBondContact O-N 2.97Å |
| 707 | F | 70.7 | Confident | 68 | Low | 14 Ų | 14 | 62.5 Ų | 62.5 | 6% | 0.061 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 141.5 | 165.2 | -67.5 | -77.5 | 0 | 0 | 0 | 109.5 | T709 L721 C726 F729 Y730 D783 | F707-T709 PolarHBondContact O-N 3.39Å; F707-L721 WeakPolarHBondContact CA-O 3.4Å; F707-L721 HydrophobicContact CD1-CB 3.74Å; F707-L721 HydrophobicContact CE1-CB 3.71Å; F707-L721 HydrophobicContact CE1-CD1 3.98Å; F707-L721 HydrophobicContact CZ-CD1 4.31Å; F707-C726 HydrophobicContact CD1-CB 3.77Å; F707-C726 VanDerWaalsContact CE1-CA 3.5Å; F707-C726 HydrophobicContact CE1-CB 3.74Å; F707-C726 HydrophobicContact CG-CB 4.2Å; F707-C726 HydrophobicContact CZ-CB 4.14Å; F707-F729 HydrophobicContact CZ-CB 4.28Å; F707-F729 AromaticContact CZ-CD1 3.77Å; F707-F729 HydrophobicContact CZ-CD1 3.77Å; F707-F729 HydrophobicContact CZ-CE1 4.27Å; F707-F729 HydrophobicContact CZ-CG 4.05Å; F707-Y730 AromaticContact CE2-CE2 3.99Å; F707-Y730 HydrophobicContact CE2-CE2 3.99Å; F707-Y730 AromaticContact CE2-CZ 3.98Å; F707-Y730 HydrophobicContact CZ-CE2 4.32Å; F707-D783 VanDerWaalsContact CD2-O 3.28Å; F707-D783 WeakPolarHBondContact CD2-O 3.31Å |
| 708 | I | 66.3 | Low | 67.4 | Low | 41 Ų | 41 | 60 Ų | 60 | 21% | 0.21 | 34% | 0.336 | C | S | . | . | trans | -65.2 | 108.6 | 173.4 | -56.7 | 180 | 0 | 0 | 0 | 108.2 | L714 Y720 L721 L722 S723 | I708-L714 HydrophobicContact CG2-CD2 4.48Å; I708-Y720 HydrophobicContact CG1-CD1 4.2Å; I708-Y720 HydrophobicContact CG1-CG 3.97Å; I708-L721 PolarHBondContact N-O 2.79Å; I708-L722 HydrophobicContact CD1-CD2 4.47Å; I708-S723 WeakPolarHBondContact O-CB 3.1Å | ||
| 709 | T | 58.2 | Low | 66.9 | Low | 82 Ų | 82 | 58 Ų | 58 | 50% | 0.503 | 32% | 0.32 | S | S | . | . | trans | -93.7 | -42.3 | 175.2 | 56.7 | 0 | 0 | 0 | 0 | 112.2 | F707 | F707-T709 PolarHBondContact O-N 3.39Š| ||
| 710 | D | 52.3 | Low | 66.5 | Low | 67 Ų | 67 | 58.5 Ų | 58.5 | 36% | 0.358 | 32% | 0.321 | S | S | . | . | trans | -148.9 | 134.1 | 177.4 | -69.8 | -56.4 | 0 | 0 | 0 | 110.8 | N712 H843 | D710-N712 PolarHBondContact O-N 2.93Å; D710-H843 IonicContact OD1-CD2 3.14Å; D710-H843 IonicContact OD1-CG 3.78Å; D710-H843 IonicContact OD2-CD2 2.69Å; D710-H843 PolarHBondContact OD2-CD2 3.32Å; D710-H843 IonicContact OD2-CG 3.03Å; D710-H843 IonicContact OD2-NE2 3.03Å; D710-H843 PolarHBondContact OD2-NE2 3.48Å | ||
| 711 | C | 52.8 | Low | 66.3 | Low | 104 Ų | 104 | 58.7 Ų | 58.7 | 70% | 0.703 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -13.4 | -179.8 | -62.6 | 0 | 0 | 0 | 0 | 114.2 | ||
| 712 | N | 49.8 | Very low | 66.1 | Low | 147 Ų | 147 | 58.4 Ų | 58.4 | 79% | 0.786 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.4 | -19.1 | -166.9 | -67.4 | -10.6 | 0 | 0 | 0 | 114.6 | D710 | D710-N712 PolarHBondContact O-N 2.93Š|
| 713 | N | 50.3 | Low | 65.8 | Low | 155 Ų | 155 | 58.8 Ų | 58.8 | 83% | 0.829 | 32% | 0.32 | S | S | * | . | trans | -134.4 | 49.1 | -175.8 | -78 | -18.5 | 0 | 0 | 0 | 111.9 | S715 | N713-S715 PolarHBondContact O-N 2.85Š| ||
| 714 | L | 54.9 | Low | 65.6 | Low | 64 Ų | 64 | 63.9 Ų | 63.9 | 34% | 0.335 | 35% | 0.35 | S | S | . | . | trans | -70.9 | 112.6 | 174.8 | -65.4 | 165.9 | 0 | 0 | 0 | 108.9 | I708 Y716 Y720 | I708-L714 HydrophobicContact CG2-CD2 4.48Å; L714-Y716 PolarHBondContact O-N 3.24Å; L714-Y720 HydrophobicContact CB-CE2 4.08Å; L714-Y720 HydrophobicContact CD2-CD1 3.92Å; L714-Y720 HydrophobicContact CD2-CD2 3.9Å; L714-Y720 HydrophobicContact CD2-CE1 3.65Å; L714-Y720 HydrophobicContact CD2-CE2 3.64Å; L714-Y720 HydrophobicContact CD2-CG 4.05Å; L714-Y720 HydrophobicContact CG-CE2 4.39Å | ||
| 715 | S | 58.8 | Low | 65.7 | Low | 54 Ų | 54 | 65.8 Ų | 65.8 | 38% | 0.378 | 36% | 0.359 | S | S | . | . | trans | -61.4 | 127.9 | 166.1 | 63.2 | 0 | 0 | 0 | 0 | 109.5 | N713 N717 K718 Y720 | N713-S715 PolarHBondContact O-N 2.85Å; S715-N717 PolarHBondContact O-N 2.94Å; S715-K718 WeakPolarHBondContact OG-CE 3.49Å; S715-Y720 WeakPolarHBondContact CA-OH 3.27Å; S715-Y720 PolarHBondContact N-OH 2.93Å; S715-Y720 PolarHBondContact O-OH 2.96Å; S715-Y720 PolarHBondContact OG-OH 3.34Å | ||
| 716 | Y | 58.1 | Low | 65.7 | Low | 173 Ų | 173 | 66.5 Ų | 66.5 | 68% | 0.678 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.5 | 5.7 | -172.1 | -70.1 | -77.1 | 0 | 0 | 0 | 115.5 | E646 L714 | E646-Y716 HydrophobicContact CG-CD1 4.46Å; E646-Y716 WeakPolarHBondContact OE1-CE1 3.44Å; L714-Y716 PolarHBondContact O-N 3.24Å |
| 717 | N | 69.5 | Low | 65.7 | Low | 113 Ų | 113 | 72.9 Ų | 72.9 | 60% | 0.604 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -119.9 | 26.6 | -171.8 | -66.3 | 7.2 | 0 | 0 | 0 | 112.9 | C644 S715 | C644-N717 PolarHBondContact SG-O 3.29Å; S715-N717 PolarHBondContact O-N 2.94Å |
| 718 | K | 73.2 | Confident | 66.2 | Low | 30 Ų | 30 | 77.3 Ų | 77.3 | 13% | 0.13 | 41% | 0.414 | C | S | . | . | trans | -136.2 | 143.7 | -179 | -56.2 | -170.4 | -174.7 | -169.2 | 0 | 113.8 | G703 S704 S715 Y720 D783 | G703-K718 WeakPolarHBondContact O-CE 3.48Å; S704-K718 CarbonylContact O-C 3.55Å; S704-K718 VanDerWaalsContact O-CA 3.26Å; S704-K718 WeakPolarHBondContact O-CA 3.32Å; S715-K718 WeakPolarHBondContact OG-CE 3.49Å; K718-Y720 HydrophobicContact CB-CD2 4.46Å; K718-Y720 HydrophobicContact CB-CE1 4.2Å; K718-Y720 HydrophobicContact CB-CE2 3.95Å; K718-Y720 VanDerWaalsContact O-CD2 3.29Å; K718-Y720 WeakPolarHBondContact O-CD2 3.27Å; K718-Y720 WeakPolarHBondContact O-CE2 3.34Å; K718-D783 IonicContact NZ-OD2 3.81Å; K718-D783 PolarHBondContact NZ-OD2 2.9Å | ||
| 719 | I | 75.1 | Confident | 67 | Low | 5 Ų | 5 | 76 Ų | 76 | 3% | 0.026 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 111.1 | 166 | -52.1 | 171.3 | 0 | 0 | 0 | 107.4 | F643 Q653 L656 S704 G706 | F643-I719 HydrophobicContact CB-CD1 3.89Å; F643-I719 HydrophobicContact CB-CG1 4.48Å; Q653-I719 HydrophobicContact CG-CG2 4.19Å; L656-I719 HydrophobicContact CD1-CB 4.07Å; L656-I719 HydrophobicContact CD1-CG2 3.48Å; L656-I719 VanDerWaalsContact CD1-CG2 3.48Å; L656-I719 HydrophobicContact CG-CG2 4.35Å; S704-I719 PolarHBondContact O-N 3.18Å; G706-I719 PolarHBondContact N-O 3.42Å; G706-I719 VanDerWaalsContact N-O 3.1Å |
| 720 | Y | 74.7 | Confident | 68.2 | Low | 14 Ų | 14 | 72.2 Ų | 72.2 | 6% | 0.055 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 130.3 | -178.8 | -61.1 | -86.7 | 0 | 0 | 0 | 112.7 | Q653 G706 I708 L714 S715 K718 | Q653-Y720 WeakPolarHBondContact CG-O 3.45Å; Q653-Y720 PolarHBondContact NE2-O 3.35Å; G706-Y720 CarbonylContact O-C 3.53Å; G706-Y720 VanDerWaalsContact O-CA 3.27Å; G706-Y720 WeakPolarHBondContact O-CA 3.33Å; I708-Y720 HydrophobicContact CG1-CD1 4.2Å; I708-Y720 HydrophobicContact CG1-CG 3.97Å; L714-Y720 HydrophobicContact CB-CE2 4.08Å; L714-Y720 HydrophobicContact CD2-CD1 3.92Å; L714-Y720 HydrophobicContact CD2-CD2 3.9Å; L714-Y720 HydrophobicContact CD2-CE1 3.65Å; L714-Y720 HydrophobicContact CD2-CE2 3.64Å; L714-Y720 HydrophobicContact CD2-CG 4.05Å; L714-Y720 HydrophobicContact CG-CE2 4.39Å; S715-Y720 WeakPolarHBondContact CA-OH 3.27Å; S715-Y720 PolarHBondContact N-OH 2.93Å; S715-Y720 PolarHBondContact O-OH 2.96Å; S715-Y720 PolarHBondContact OG-OH 3.34Å; K718-Y720 HydrophobicContact CB-CD2 4.46Å; K718-Y720 HydrophobicContact CB-CE1 4.2Å; K718-Y720 HydrophobicContact CB-CE2 3.95Å; K718-Y720 VanDerWaalsContact O-CD2 3.29Å; K718-Y720 WeakPolarHBondContact O-CD2 3.27Å; K718-Y720 WeakPolarHBondContact O-CE2 3.34Å |
| 721 | L | 76.5 | Confident | 69.7 | Low | 8 Ų | 8 | 70.8 Ų | 70.8 | 4% | 0.042 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 152.7 | 163.7 | -67.5 | 170.2 | 0 | 0 | 0 | 109.9 | L656 I705 G706 F707 I708 F729 | L656-L721 HydrophobicContact CB-CD2 4.36Å; L656-L721 HydrophobicContact CD1-CD1 4.43Å; L656-L721 HydrophobicContact CD1-CD2 4.09Å; L656-L721 HydrophobicContact CD1-CG 4.13Å; I705-L721 HydrophobicContact CG2-CD1 4.42Å; G706-L721 PolarHBondContact O-N 2.97Å; F707-L721 WeakPolarHBondContact CA-O 3.4Å; F707-L721 HydrophobicContact CD1-CB 3.74Å; F707-L721 HydrophobicContact CE1-CB 3.71Å; F707-L721 HydrophobicContact CE1-CD1 3.98Å; F707-L721 HydrophobicContact CZ-CD1 4.31Å; I708-L721 PolarHBondContact N-O 2.79Å; L721-F729 HydrophobicContact CD1-CD2 4.15Å; L721-F729 HydrophobicContact CD1-CE2 4.24Å |
| 722 | L | 73.7 | Confident | 71.2 | Confident | 77 Ų | 77 | 67.5 Ų | 67.5 | 40% | 0.403 | 35% | 0.353 | S | S | . | . | P | Polyproline II helix | trans | -66.8 | 141.3 | 178.3 | -71.4 | 157.9 | 0 | 0 | 0 | 109.5 | I708 T724 E725 | I708-L722 HydrophobicContact CD1-CD2 4.47Å; L722-T724 PolarHBondContact O-N 3.03Å; L722-E725 HydrophobicContact CB-CG 4.05Å; L722-E725 PolarHBondContact N-OE2 2.93Å; L722-E725 WeakPolarHBondContact O-CB 3.13Å; L722-E725 PolarHBondContact O-N 3.22Å |
| 723 | S | 68.4 | Low | 72.9 | Confident | 73 Ų | 73 | 60.7 Ų | 60.7 | 51% | 0.51 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -59 | -28.9 | 176.5 | 54.1 | 0 | 0 | 0 | 0 | 112.7 | I708 E725 C726 | I708-S723 WeakPolarHBondContact O-CB 3.1Å; S723-E725 VanDerWaalsContact C-N 3.25Å; S723-E725 PolarHBondContact O-N 2.75Å; S723-C726 WeakPolarHBondContact O-CB 3.11Å; S723-C726 PolarHBondContact O-N 3.25Å |
| 724 | T | 69.5 | Low | 74.6 | Confident | 113 Ų | 113 | 53.4 Ų | 53.4 | 69% | 0.693 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -65.7 | -25.5 | 173.4 | 53.8 | 0 | 0 | 0 | 0 | 113.3 | L722 C726 | L722-T724 PolarHBondContact O-N 3.03Å; T724-C726 VanDerWaalsContact C-N 3.34Å |
| 725 | E | 76.2 | Confident | 76.1 | Confident | 46 Ų | 46 | 54 Ų | 54 | 22% | 0.215 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -83.3 | -12 | 177.3 | -64.4 | 172.3 | 156.1 | 0 | 0 | 111.8 | R657 L722 S723 H728 F729 | R657-E725 IonicContact CZ-OE1 3.52Å; R657-E725 IonicContact NE-OE1 3.27Å; R657-E725 PolarHBondContact NE-OE1 3.43Å; R657-E725 IonicContact NH2-OE1 2.94Å; R657-E725 PolarHBondContact NH2-OE1 3.05Å; R657-E725 IonicContact NH2-OE2 2.74Å; L722-E725 HydrophobicContact CB-CG 4.05Å; L722-E725 PolarHBondContact N-OE2 2.93Å; L722-E725 WeakPolarHBondContact O-CB 3.13Å; L722-E725 PolarHBondContact O-N 3.22Å; S723-E725 VanDerWaalsContact C-N 3.25Å; S723-E725 PolarHBondContact O-N 2.75Å; E725-H728 PolarHBondContact O-N 3.27Å; E725-F729 WeakPolarHBondContact O-CB 3.46Å; E725-F729 PolarHBondContact O-N 3.47Å |
| 726 | C | 75.9 | Confident | 77.4 | Confident | 16 Ų | 16 | 51.8 Ų | 51.8 | 11% | 0.108 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -60.9 | -51.1 | -174.3 | -176.9 | 0 | 0 | 0 | 0 | 113.4 | F707 S723 T724 H728 F729 Y730 | F707-C726 HydrophobicContact CD1-CB 3.77Å; F707-C726 VanDerWaalsContact CE1-CA 3.5Å; F707-C726 HydrophobicContact CE1-CB 3.74Å; F707-C726 HydrophobicContact CG-CB 4.2Å; F707-C726 HydrophobicContact CZ-CB 4.14Å; S723-C726 WeakPolarHBondContact O-CB 3.11Å; S723-C726 PolarHBondContact O-N 3.25Å; T724-C726 VanDerWaalsContact C-N 3.34Å; C726-H728 VanDerWaalsContact C-N 3.31Å; C726-H728 PolarHBondContact O-N 3.22Å; C726-F729 PolarHBondContact O-N 3.29Å; C726-Y730 WeakPolarHBondContact O-CD2 3.42Å; C726-Y730 PolarHBondContact O-N 3.5Å; C726-Y730 VanDerWaalsContact O-N 3.13Å; C726-Y730 WeakPolarHBondContact SG-CE2 3.39Å |
| 727 | E | 74.2 | Confident | 78.7 | Confident | 135 Ų | 135 | 43.6 Ų | 43.6 | 63% | 0.631 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -62.2 | -41.9 | 177.4 | -64.1 | -166.8 | 158.2 | 0 | 0 | 111.8 | S731 I790 | E727-S731 WeakPolarHBondContact O-CB 3.41Å; E727-S731 PolarHBondContact O-N 2.92Å; E727-S731 PolarHBondContact O-OG 3.39Å; E727-I790 HydrophobicContact CB-CD1 4.4Å; E727-I790 HydrophobicContact CG-CD1 3.74Å; E727-I790 HydrophobicContact CG-CG1 4.04Å |
| 728 | H | 81 | Confident | 79.5 | Confident | 106 Ų | 106 | 41.5 Ų | 41.5 | 49% | 0.491 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -64.6 | -46.7 | 178.7 | -173.5 | 46.1 | 0 | 0 | 0 | 111.4 | E725 C726 Y730 S731 E732 | E725-H728 PolarHBondContact O-N 3.27Å; C726-H728 VanDerWaalsContact C-N 3.31Å; C726-H728 PolarHBondContact O-N 3.22Å; H728-Y730 PolarHBondContact O-N 3.09Å; H728-S731 WeakPolarHBondContact CA-OG 3.47Å; H728-S731 PolarHBondContact O-N 2.8Å; H728-S731 VanDerWaalsContact O-N 3.12Å; H728-S731 PolarHBondContact O-OG 2.89Å; H728-E732 IonicContact CE1-OE1 2.85Å; H728-E732 PolarHBondContact CE1-OE1 2.68Å; H728-E732 IonicContact NE2-OE1 3.85Å; H728-E732 PolarHBondContact NE2-OE1 3.31Å; H728-E732 PolarHBondContact O-N 3.07Å |
| 729 | F | 83.9 | Confident | 79.9 | Confident | 15 Ų | 15 | 41.4 Ų | 41.4 | 7% | 0.066 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -54.4 | -50.3 | 177.7 | 176.1 | -95 | 0 | 0 | 0 | 112.2 | M660 W696 F707 L721 E725 C726 E732 L733 | M660-F729 HydrophobicContact CE-CD2 3.31Å; M660-F729 HydrophobicContact CE-CE2 3.1Å; M660-F729 HydrophobicContact CE-CG 4.26Å; M660-F729 HydrophobicContact CE-CZ 3.93Å; W696-F729 AromaticContact CH2-CE2 3.58Å; W696-F729 HydrophobicContact CH2-CE2 3.58Å; W696-F729 HydrophobicContact CH2-CZ 4.12Å; W696-F729 HydrophobicContact CZ2-CE2 4.48Å; W696-F729 AromaticContact CZ3-CE2 3.7Å; W696-F729 HydrophobicContact CZ3-CE2 3.7Å; W696-F729 AromaticContact CZ3-CZ 3.75Å; W696-F729 HydrophobicContact CZ3-CZ 3.75Å; F707-F729 HydrophobicContact CZ-CB 4.28Å; F707-F729 AromaticContact CZ-CD1 3.77Å; F707-F729 HydrophobicContact CZ-CD1 3.77Å; F707-F729 HydrophobicContact CZ-CE1 4.27Å; F707-F729 HydrophobicContact CZ-CG 4.05Å; L721-F729 HydrophobicContact CD1-CD2 4.15Å; L721-F729 HydrophobicContact CD1-CE2 4.24Å; E725-F729 WeakPolarHBondContact O-CB 3.46Å; E725-F729 PolarHBondContact O-N 3.47Å; C726-F729 PolarHBondContact O-N 3.29Å; F729-E732 PolarHBondContact O-N 3.35Å; F729-L733 HydrophobicContact CD1-CD1 3.85Å; F729-L733 HydrophobicContact CE1-CD1 3.26Å; F729-L733 HydrophobicContact CE1-CG 4.33Å; F729-L733 HydrophobicContact CE2-CD1 4.23Å; F729-L733 HydrophobicContact CZ-CD1 3.48Å; F729-L733 VanDerWaalsContact CZ-CD1 3.48Å; F729-L733 HydrophobicContact CZ-CG 4.36Å; F729-L733 WeakPolarHBondContact O-CB 3.34Å; F729-L733 WeakPolarHBondContact O-CG 3.15Å; F729-L733 PolarHBondContact O-N 3.38Å |
| 730 | Y | 83.8 | Confident | 80.3 | Confident | 2 Ų | 2 | 41.1 Ų | 41.1 | 1% | 0.008 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -71.2 | -32.4 | 178 | -68.4 | -59.4 | 0 | 0 | 0 | 112.7 | F707 C726 H728 L733 M734 L776 I784 R785 P786 P787 I790 | F707-Y730 AromaticContact CE2-CE2 3.99Å; F707-Y730 HydrophobicContact CE2-CE2 3.99Å; F707-Y730 AromaticContact CE2-CZ 3.98Å; F707-Y730 HydrophobicContact CZ-CE2 4.32Å; C726-Y730 WeakPolarHBondContact O-CD2 3.42Å; C726-Y730 PolarHBondContact O-N 3.5Å; C726-Y730 VanDerWaalsContact O-N 3.13Å; C726-Y730 WeakPolarHBondContact SG-CE2 3.39Å; H728-Y730 PolarHBondContact O-N 3.09Å; Y730-L733 HydrophobicContact CD1-CD1 4.47Å; Y730-M734 WeakPolarHBondContact O-CB 3.46Å; Y730-M734 VanDerWaalsContact O-CG 3.24Å; Y730-M734 WeakPolarHBondContact O-CG 3.28Å; Y730-M734 PolarHBondContact O-N 3.12Å; Y730-L776 HydrophobicContact CE1-CD1 4.29Å; Y730-L776 HydrophobicContact CE1-CD2 4.43Å; Y730-I784 PolarHBondContact OH-O 3.35Å; Y730-R785 PolarHBondContact OH-O 3.01Å; Y730-P786 HydrophobicContact CD1-CB 3.73Å; Y730-P786 HydrophobicContact CD2-CB 4.47Å; Y730-P786 HydrophobicContact CE1-CB 3.49Å; Y730-P786 VanDerWaalsContact CE1-CB 3.49Å; Y730-P786 HydrophobicContact CE1-CG 4.44Å; Y730-P786 HydrophobicContact CE2-CB 4.26Å; Y730-P786 HydrophobicContact CG-CB 4.23Å; Y730-P786 VanDerWaalsContact CZ-CA 3.47Å; Y730-P787 VanDerWaalsContact CE2-CD 3.49Å; Y730-I790 HydrophobicContact CD2-CD1 4.01Å |
| 731 | S | 82.5 | Confident | 80.5 | Confident | 37 Ų | 37 | 40.7 Ų | 40.7 | 26% | 0.259 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -61.6 | -45.6 | 173.7 | 76.2 | 0 | 0 | 0 | 0 | 112 | E727 H728 M734 E735 | E727-S731 WeakPolarHBondContact O-CB 3.41Å; E727-S731 PolarHBondContact O-N 2.92Å; E727-S731 PolarHBondContact O-OG 3.39Å; H728-S731 WeakPolarHBondContact CA-OG 3.47Å; H728-S731 PolarHBondContact O-N 2.8Å; H728-S731 VanDerWaalsContact O-N 3.12Å; H728-S731 PolarHBondContact O-OG 2.89Å; S731-M734 PolarHBondContact O-N 2.85Å; S731-E735 WeakPolarHBondContact O-CG 3.3Å; S731-E735 PolarHBondContact O-N 3.48Å |
| 732 | E | 84.2 | Confident | 80.3 | Confident | 34 Ų | 34 | 47 Ų | 47 | 16% | 0.159 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -67.2 | -45.5 | 177.7 | -68.6 | -158.1 | 140.2 | 0 | 0 | 111.3 | M660 R664 H728 F729 M734 E735 I736 | M660-E732 WeakPolarHBondContact CG-OE2 3.29Å; M660-E732 HydrophobicContact SD-CB 4.43Å; R664-E732 IonicContact NH1-OE1 3.49Å; H728-E732 IonicContact CE1-OE1 2.85Å; H728-E732 PolarHBondContact CE1-OE1 2.68Å; H728-E732 IonicContact NE2-OE1 3.85Å; H728-E732 PolarHBondContact NE2-OE1 3.31Å; H728-E732 PolarHBondContact O-N 3.07Å; F729-E732 PolarHBondContact O-N 3.35Å; E732-M734 VanDerWaalsContact C-N 3.29Å; E732-M734 PolarHBondContact O-N 3.35Å; E732-E735 PolarHBondContact O-N 3.38Å; E732-E735 VanDerWaalsContact O-N 3.15Å; E732-I736 WeakPolarHBondContact O-CD1 3.12Å; E732-I736 VanDerWaalsContact O-CG1 3.28Å; E732-I736 WeakPolarHBondContact O-CG1 3.46Å; E732-I736 PolarHBondContact O-N 3.32Å |
| 733 | L | 86.8 | Confident | 79.6 | Confident | 4 Ų | 4 | 45.4 Ų | 45.4 | 2% | 0.021 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -58.8 | -39.8 | 177.2 | -81 | -179 | 0 | 0 | 0 | 112.6 | M660 L663 F729 Y730 I736 F737 L776 | M660-L733 HydrophobicContact CE-CD1 4.34Å; M660-L733 HydrophobicContact CE-CD2 3.75Å; M660-L733 HydrophobicContact CE-CG 3.74Å; M660-L733 HydrophobicContact SD-CD2 4.05Å; M660-L733 HydrophobicContact SD-CG 4.31Å; L663-L733 HydrophobicContact CD1-CD2 3.89Å; F729-L733 HydrophobicContact CD1-CD1 3.85Å; F729-L733 HydrophobicContact CE1-CD1 3.26Å; F729-L733 HydrophobicContact CE1-CG 4.33Å; F729-L733 HydrophobicContact CE2-CD1 4.23Å; F729-L733 HydrophobicContact CZ-CD1 3.48Å; F729-L733 VanDerWaalsContact CZ-CD1 3.48Å; F729-L733 HydrophobicContact CZ-CG 4.36Å; F729-L733 WeakPolarHBondContact O-CB 3.34Å; F729-L733 WeakPolarHBondContact O-CG 3.15Å; F729-L733 PolarHBondContact O-N 3.38Å; Y730-L733 HydrophobicContact CD1-CD1 4.47Å; L733-I736 HydrophobicContact CD2-CD1 4.42Å; L733-I736 WeakPolarHBondContact O-CB 3.16Å; L733-I736 PolarHBondContact O-N 2.93Å; L733-F737 HydrophobicContact CB-CE2 4.2Å; L733-F737 WeakPolarHBondContact O-CD2 3.21Å; L733-F737 VanDerWaalsContact O-CG 3.31Å; L733-F737 WeakPolarHBondContact O-CG 3.49Å; L733-F737 PolarHBondContact O-N 3.38Å; L733-L776 HydrophobicContact CD1-CD2 4.37Å |
| 734 | M | 86 | Confident | 79 | Confident | 2 Ų | 2 | 42.7 Ų | 42.7 | 1% | 0.01 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -65.5 | -41.4 | 176.5 | -70.2 | -58.7 | 131.6 | 0 | 0 | 111.8 | Y730 S731 E732 I736 F737 Q738 F777 T798 I801 | Y730-M734 WeakPolarHBondContact O-CB 3.46Å; Y730-M734 VanDerWaalsContact O-CG 3.24Å; Y730-M734 WeakPolarHBondContact O-CG 3.28Å; Y730-M734 PolarHBondContact O-N 3.12Å; S731-M734 PolarHBondContact O-N 2.85Å; E732-M734 VanDerWaalsContact C-N 3.29Å; E732-M734 PolarHBondContact O-N 3.35Å; M734-I736 VanDerWaalsContact C-N 3.29Å; M734-I736 PolarHBondContact O-N 2.82Å; M734-F737 HydrophobicContact CE-CD2 3.73Å; M734-F737 HydrophobicContact CE-CE2 3.72Å; M734-F737 PolarHBondContact O-N 3.24Å; M734-F737 HydrophobicContact SD-CD2 3.92Å; M734-Q738 WeakPolarHBondContact O-CB 3.5Å; M734-Q738 PolarHBondContact O-N 3.4Å; M734-F777 HydrophobicContact CE-CE2 3.88Å; M734-F777 HydrophobicContact CE-CZ 3.63Å; M734-T798 HydrophobicContact CB-CG2 4.4Å; M734-T798 HydrophobicContact CG-CG2 4.21Å; M734-I801 HydrophobicContact CB-CB 4.41Å; M734-I801 HydrophobicContact CB-CD1 4.34Å; M734-I801 HydrophobicContact CB-CG2 4.1Å; M734-I801 WeakPolarHBondContact O-CG2 3.28Å |
| 735 | E | 85.8 | Confident | 78.1 | Confident | 78 Ų | 78 | 42 Ų | 42 | 36% | 0.364 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -62.1 | -38.7 | 174.1 | -69.3 | -173 | 174 | 0 | 0 | 111.8 | S731 E732 Q738 S739 R797 I801 | S731-E735 WeakPolarHBondContact O-CG 3.3Å; S731-E735 PolarHBondContact O-N 3.48Å; E732-E735 PolarHBondContact O-N 3.38Å; E732-E735 VanDerWaalsContact O-N 3.15Å; E735-Q738 WeakPolarHBondContact O-CB 3.48Å; E735-Q738 PolarHBondContact O-N 3.24Å; E735-S739 PolarHBondContact O-N 3.16Å; E735-S739 VanDerWaalsContact O-N 3.11Å; E735-S739 PolarHBondContact O-OG 2.87Å; E735-R797 IonicContact OE1-CZ 3.2Å; E735-R797 IonicContact OE1-NE 3.51Å; E735-R797 IonicContact OE1-NH1 2.67Å; E735-R797 PolarHBondContact OE1-NH1 3.26Å; E735-R797 IonicContact OE1-NH2 3.85Å; E735-I801 HydrophobicContact CG-CD1 3.79Å |
| 736 | I | 85.8 | Confident | 76.8 | Confident | 6 Ų | 6 | 44.3 Ų | 44.3 | 3% | 0.031 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -63.9 | -47.4 | 174.1 | -67.5 | 157.7 | 0 | 0 | 0 | 110.6 | M660 L663 E732 L733 M734 Q738 S739 F740 | M660-I736 HydrophobicContact SD-CD1 3.8Å; L663-I736 HydrophobicContact CB-CD1 3.68Å; L663-I736 HydrophobicContact CB-CG1 4.47Å; L663-I736 HydrophobicContact CB-CG2 4.35Å; L663-I736 HydrophobicContact CD1-CD1 4.4Å; E732-I736 WeakPolarHBondContact O-CD1 3.12Å; E732-I736 VanDerWaalsContact O-CG1 3.28Å; E732-I736 WeakPolarHBondContact O-CG1 3.46Å; E732-I736 PolarHBondContact O-N 3.32Å; L733-I736 HydrophobicContact CD2-CD1 4.42Å; L733-I736 WeakPolarHBondContact O-CB 3.16Å; L733-I736 PolarHBondContact O-N 2.93Å; M734-I736 VanDerWaalsContact C-N 3.29Å; M734-I736 PolarHBondContact O-N 2.82Å; I736-Q738 VanDerWaalsContact C-N 3.29Å; I736-Q738 PolarHBondContact O-N 3.37Å; I736-S739 PolarHBondContact O-N 3.38Å; I736-S739 PolarHBondContact O-OG 3.45Å; I736-F740 HydrophobicContact CG2-CD2 3.67Å; I736-F740 HydrophobicContact CG2-CE2 3.46Å; I736-F740 VanDerWaalsContact CG2-CE2 3.46Å; I736-F740 VanDerWaalsContact O-CD2 3.3Å; I736-F740 WeakPolarHBondContact O-CD2 3.5Å; I736-F740 PolarHBondContact O-N 2.75Å; I736-F740 VanDerWaalsContact O-N 3.17Å |
| 737 | F | 86.5 | Confident | 75.2 | Confident | 1 Ų | 1 | 46.7 Ų | 46.7 | 0% | 0.004 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -58.8 | -42 | 174.8 | -67.9 | -46.3 | 0 | 0 | 0 | 112 | L733 M734 S739 F740 F741 C769 L772 F773 L776 I805 | L733-F737 HydrophobicContact CB-CE2 4.2Å; L733-F737 WeakPolarHBondContact O-CD2 3.21Å; L733-F737 VanDerWaalsContact O-CG 3.31Å; L733-F737 WeakPolarHBondContact O-CG 3.49Å; L733-F737 PolarHBondContact O-N 3.38Å; M734-F737 HydrophobicContact CE-CD2 3.73Å; M734-F737 HydrophobicContact CE-CE2 3.72Å; M734-F737 PolarHBondContact O-N 3.24Å; M734-F737 HydrophobicContact SD-CD2 3.92Å; F737-S739 VanDerWaalsContact C-N 3.31Å; F737-S739 PolarHBondContact O-N 3.21Å; F737-F740 PolarHBondContact O-N 3.28Å; F737-F741 HydrophobicContact CB-CD2 4.08Å; F737-F741 HydrophobicContact CB-CE2 4.04Å; F737-F741 HydrophobicContact CD1-CE2 4.23Å; F737-F741 HydrophobicContact CG-CE2 4.41Å; F737-F741 VanDerWaalsContact O-CB 3.31Å; F737-F741 WeakPolarHBondContact O-CB 3.3Å; F737-F741 WeakPolarHBondContact O-CD2 3.39Å; F737-F741 WeakPolarHBondContact O-CG 3.49Å; F737-F741 PolarHBondContact O-N 3.27Å; F737-C769 VanDerWaalsContact CD1-SG 3.59Å; F737-L772 HydrophobicContact CE1-CD2 3.31Å; F737-L772 HydrophobicContact CZ-CD2 3.31Å; F737-F773 HydrophobicContact CD1-CD2 4.25Å; F737-F773 AromaticContact CD2-CD2 3.84Å; F737-F773 HydrophobicContact CD2-CD2 3.84Å; F737-F773 HydrophobicContact CD2-CE2 4.28Å; F737-F773 HydrophobicContact CE1-CB 4.12Å; F737-F773 HydrophobicContact CE1-CD2 4.25Å; F737-F773 AromaticContact CE2-CD2 3.85Å; F737-F773 HydrophobicContact CE2-CD2 3.85Å; F737-F773 HydrophobicContact CG-CD2 4.07Å; F737-F773 HydrophobicContact CZ-CB 4.3Å; F737-F773 HydrophobicContact CZ-CD2 4.07Å; F737-L776 HydrophobicContact CE2-CD2 4.12Å; F737-L776 HydrophobicContact CZ-CD2 4.32Å; F737-I805 HydrophobicContact CB-CD1 4.03Å |
| 738 | Q | 85.2 | Confident | 73.7 | Confident | 70 Ų | 70 | 46.8 Ų | 46.8 | 33% | 0.327 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -59 | -43 | 179 | -167.5 | -179.1 | 21.6 | 0 | 0 | 112.1 | M734 E735 I736 K742 I801 | M734-Q738 WeakPolarHBondContact O-CB 3.5Å; M734-Q738 PolarHBondContact O-N 3.4Å; E735-Q738 WeakPolarHBondContact O-CB 3.48Å; E735-Q738 PolarHBondContact O-N 3.24Å; I736-Q738 VanDerWaalsContact C-N 3.29Å; I736-Q738 PolarHBondContact O-N 3.37Å; Q738-K742 WeakPolarHBondContact O-CB 3.48Å; Q738-K742 PolarHBondContact O-N 2.84Å; Q738-I801 HydrophobicContact CB-CG2 3.77Å; Q738-I801 HydrophobicContact CG-CG2 4.2Å |
| 739 | S | 82.6 | Confident | 71.7 | Confident | 27 Ų | 27 | 46.9 Ų | 46.9 | 19% | 0.189 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -69.5 | -41.6 | -179 | 59.9 | 0 | 0 | 0 | 0 | 112.8 | S667 E735 I736 F737 K742 | S667-S739 VanDerWaalsContact CB-OG 3.3Å; S667-S739 WeakPolarHBondContact CB-OG 3.43Å; E735-S739 PolarHBondContact O-N 3.16Å; E735-S739 VanDerWaalsContact O-N 3.11Å; E735-S739 PolarHBondContact O-OG 2.87Å; I736-S739 PolarHBondContact O-N 3.38Å; I736-S739 PolarHBondContact O-OG 3.45Å; F737-S739 VanDerWaalsContact C-N 3.31Å; F737-S739 PolarHBondContact O-N 3.21Å; S739-K742 WeakPolarHBondContact O-CB 3.32Å; S739-K742 PolarHBondContact O-N 3.44Å |
| 740 | F | 83.8 | Confident | 69.6 | Low | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -68.8 | -33.7 | 175.4 | -74.1 | -59.8 | 0 | 0 | 0 | 112.8 | N666 F670 I689 I736 F737 P743 I765 C769 | N666-F740 HydrophobicContact CB-CZ 4.33Å; F670-F740 HydrophobicContact CB-CD1 4.08Å; F670-F740 HydrophobicContact CB-CE1 3.71Å; F670-F740 AromaticContact CD1-CD1 3.67Å; F670-F740 HydrophobicContact CD1-CD1 3.67Å; F670-F740 HydrophobicContact CD1-CE1 4.2Å; F670-F740 HydrophobicContact CD2-CD1 4.22Å; F670-F740 HydrophobicContact CD2-CE1 4.27Å; F670-F740 HydrophobicContact CE1-CD1 4.06Å; F670-F740 AromaticContact CG-CD1 3.74Å; F670-F740 HydrophobicContact CG-CD1 3.74Å; F670-F740 AromaticContact CG-CE1 3.83Å; F670-F740 HydrophobicContact CG-CE1 3.83Å; I689-F740 HydrophobicContact CG2-CE1 3.83Å; I689-F740 HydrophobicContact CG2-CZ 3.84Å; I736-F740 HydrophobicContact CG2-CD2 3.67Å; I736-F740 HydrophobicContact CG2-CE2 3.46Å; I736-F740 VanDerWaalsContact CG2-CE2 3.46Å; I736-F740 VanDerWaalsContact O-CD2 3.3Å; I736-F740 WeakPolarHBondContact O-CD2 3.5Å; I736-F740 PolarHBondContact O-N 2.75Å; I736-F740 VanDerWaalsContact O-N 3.17Å; F737-F740 PolarHBondContact O-N 3.28Å; F740-P743 VanDerWaalsContact O-CD 3.27Å; F740-P743 WeakPolarHBondContact O-CD 3.47Å; F740-I765 HydrophobicContact CD1-CG2 3.51Å; F740-I765 HydrophobicContact CE1-CG2 3.52Å; F740-I765 HydrophobicContact CG-CG2 4.46Å; F740-I765 HydrophobicContact CZ-CG2 4.47Å; F740-C769 HydrophobicContact CB-CB 4.35Å |
| 741 | F | 78.8 | Confident | 67.5 | Low | 5 Ų | 5 | 55.4 Ų | 55.4 | 2% | 0.022 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -86.1 | -8.8 | 177.6 | -66 | -40.8 | 0 | 0 | 0 | 114 | F737 P743 L744 I766 C769 A770 F773 I805 L826 | F737-F741 HydrophobicContact CB-CD2 4.08Å; F737-F741 HydrophobicContact CB-CE2 4.04Å; F737-F741 HydrophobicContact CD1-CE2 4.23Å; F737-F741 HydrophobicContact CG-CE2 4.41Å; F737-F741 VanDerWaalsContact O-CB 3.31Å; F737-F741 WeakPolarHBondContact O-CB 3.3Å; F737-F741 WeakPolarHBondContact O-CD2 3.39Å; F737-F741 WeakPolarHBondContact O-CG 3.49Å; F737-F741 PolarHBondContact O-N 3.27Å; F741-P743 VanDerWaalsContact C-CD 3.45Å; F741-L744 HydrophobicContact CB-CD1 3.86Å; F741-L744 HydrophobicContact CD1-CD1 3.58Å; F741-L744 HydrophobicContact CG-CD1 4.05Å; F741-L744 VanDerWaalsContact O-CB 3.24Å; F741-L744 WeakPolarHBondContact O-CB 3.44Å; F741-L744 WeakPolarHBondContact O-CG 3.32Å; F741-L744 PolarHBondContact O-N 3.49Å; F741-L744 VanDerWaalsContact O-N 3.1Å; F741-I766 HydrophobicContact CD1-CG2 3.9Å; F741-I766 HydrophobicContact CE1-CG2 3.9Å; F741-C769 HydrophobicContact CE1-CB 4.46Å; F741-C769 HydrophobicContact CZ-CB 4.48Å; F741-A770 HydrophobicContact CE1-CB 4.23Å; F741-A770 HydrophobicContact CZ-CB 4.25Å; F741-F773 HydrophobicContact CE2-CD2 4.43Å; F741-I805 HydrophobicContact CD2-CD1 3.98Å; F741-I805 HydrophobicContact CD2-CG1 4.28Å; F741-I805 HydrophobicContact CD2-CG2 4.14Å; F741-L826 HydrophobicContact CE2-CD2 4.17Å; F741-L826 HydrophobicContact CZ-CD2 3.85Å |
| 742 | K | 71.2 | Confident | 65.4 | Low | 140 Ų | 140 | 56.3 Ų | 56.3 | 61% | 0.609 | 31% | 0.309 | S | S | * | . | G | 310 helix | trans | -55.9 | -42.3 | 178.5 | -165.2 | 178.4 | 178.9 | -175.3 | 0 | 114.1 | Q738 S739 L744 K745 | Q738-K742 WeakPolarHBondContact O-CB 3.48Å; Q738-K742 PolarHBondContact O-N 2.84Å; S739-K742 WeakPolarHBondContact O-CB 3.32Å; S739-K742 PolarHBondContact O-N 3.44Å; K742-L744 PolarHBondContact O-N 2.88Å; K742-L744 VanDerWaalsContact O-N 3.14Å; K742-K745 WeakPolarHBondContact O-CB 3.18Å; K742-K745 PolarHBondContact O-N 3.49Å |
| 743 | P | 60.1 | Low | 63.3 | Low | 43 Ų | 43 | 60.6 Ų | 60.6 | 28% | 0.279 | 34% | 0.341 | S | S | . | . | G | 310 helix | trans | -61.8 | -20.4 | 178.1 | -20.4 | 32.2 | 0 | 0 | 0 | 114.1 | F670 F740 F741 K745 D746 | F670-P743 HydrophobicContact CE1-CG 3.5Å; F670-P743 HydrophobicContact CZ-CG 3.94Å; F740-P743 VanDerWaalsContact O-CD 3.27Å; F740-P743 WeakPolarHBondContact O-CD 3.47Å; F741-P743 VanDerWaalsContact C-CD 3.45Å; P743-K745 PolarHBondContact O-N 2.96Å; P743-K745 VanDerWaalsContact O-N 3.16Å; P743-D746 PolarHBondContact O-N 2.91Å; P743-D746 VanDerWaalsContact O-N 3.14Å |
| 744 | L | 54.2 | Low | 61 | Low | 16 Ų | 16 | 65.5 Ų | 65.5 | 8% | 0.084 | 38% | 0.375 | C | S | . | . | G | 310 helix | trans | -61.8 | -20.9 | 173.5 | -60.6 | 165.8 | 0 | 0 | 0 | 111.8 | F741 K742 I766 I818 | F741-L744 HydrophobicContact CB-CD1 3.86Å; F741-L744 HydrophobicContact CD1-CD1 3.58Å; F741-L744 HydrophobicContact CG-CD1 4.05Å; F741-L744 VanDerWaalsContact O-CB 3.24Å; F741-L744 WeakPolarHBondContact O-CB 3.44Å; F741-L744 WeakPolarHBondContact O-CG 3.32Å; F741-L744 PolarHBondContact O-N 3.49Å; F741-L744 VanDerWaalsContact O-N 3.1Å; K742-L744 PolarHBondContact O-N 2.88Å; K742-L744 VanDerWaalsContact O-N 3.14Å; L744-I766 HydrophobicContact CD1-CG2 4.43Å; L744-I766 HydrophobicContact CD2-CG2 4.41Å; L744-I818 HydrophobicContact CD2-CB 4.46Å; L744-I818 HydrophobicContact CD2-CD1 4.31Å; L744-I818 HydrophobicContact CD2-CG1 3.81Å; L744-I818 HydrophobicContact CD2-CG2 4.21Å |
| 745 | K | 51.4 | Low | 58.8 | Low | 99 Ų | 99 | 66.4 Ų | 66.4 | 43% | 0.43 | 38% | 0.381 | S | S | . | . | G | 310 helix | trans | -85.1 | -25.4 | 177.2 | -59.3 | -172.6 | 178.2 | -172.7 | 0 | 113.4 | K742 P743 T747 | K742-K745 WeakPolarHBondContact O-CB 3.18Å; K742-K745 PolarHBondContact O-N 3.49Å; P743-K745 PolarHBondContact O-N 2.96Å; P743-K745 VanDerWaalsContact O-N 3.16Å; K745-T747 PolarHBondContact O-N 3.19Å |
| 746 | D | 48.9 | Very low | 56.8 | Low | 94 Ų | 94 | 66 Ų | 66 | 50% | 0.503 | 39% | 0.387 | S | S | . | . | trans | -85.9 | 79 | -176.2 | -70.9 | -25.9 | 0 | 0 | 0 | 110.2 | P743 N748 L749 | P743-D746 PolarHBondContact O-N 2.91Å; P743-D746 VanDerWaalsContact O-N 3.14Å; D746-N748 PolarHBondContact O-N 3.44Å; D746-L749 HydrophobicContact CB-CD1 4.05Å; D746-L749 PolarHBondContact O-N 2.79Å | ||
| 747 | T | 43.2 | Very low | 54.7 | Low | 67 Ų | 67 | 68.6 Ų | 68.6 | 41% | 0.411 | 41% | 0.406 | S | S | . | . | G | 310 helix | trans | -54.7 | -23.1 | 177.4 | 51.1 | 0 | 0 | 0 | 0 | 113.7 | K745 L749 S750 | K745-T747 PolarHBondContact O-N 3.19Å; T747-L749 PolarHBondContact O-N 2.9Å; T747-S750 PolarHBondContact O-OG 2.6Å |
| 748 | N | 41.1 | Very low | 52.8 | Low | 137 Ų | 137 | 70.7 Ų | 70.7 | 73% | 0.733 | 42% | 0.421 | S | S | * | . | G | 310 helix | trans | -77.8 | -12 | -169.6 | -64.7 | -7.5 | 0 | 0 | 0 | 114.9 | D746 S750 | D746-N748 PolarHBondContact O-N 3.44Å; N748-S750 VanDerWaalsContact C-N 3.28Å; N748-S750 PolarHBondContact O-N 3.26Å |
| 749 | L | 40.6 | Very low | 51.3 | Low | 107 Ų | 107 | 70 Ų | 70 | 56% | 0.56 | 42% | 0.422 | S | S | * | . | G | 310 helix | trans | -77.4 | -13.1 | 178.5 | -82.6 | 148.7 | 0 | 0 | 0 | 113.3 | D746 T747 | D746-L749 HydrophobicContact CB-CD1 4.05Å; D746-L749 PolarHBondContact O-N 2.79Å; T747-L749 PolarHBondContact O-N 2.9Å |
| 750 | S | 39 | Very low | 50.1 | Low | 93 Ų | 93 | 71.2 Ų | 71.2 | 65% | 0.65 | 43% | 0.425 | S | S | * | . | G | 310 helix | trans | -83.1 | -13.5 | -173.3 | 62.7 | 0 | 0 | 0 | 0 | 115.5 | T747 N748 | T747-S750 PolarHBondContact O-OG 2.6Å; N748-S750 VanDerWaalsContact C-N 3.28Å; N748-S750 PolarHBondContact O-N 3.26Å |
| 751 | S | 38.9 | Very low | 49 | Very low | 104 Ų | 104 | 72.1 Ų | 72.1 | 73% | 0.727 | 43% | 0.43 | S | S | * | . | G | 310 helix | trans | -91.1 | 2.3 | -166.6 | 66.2 | 0 | 0 | 0 | 0 | 116 | ||
| 752 | S | 39 | Very low | 48.4 | Very low | 55 Ų | 55 | 73.5 Ų | 73.5 | 39% | 0.385 | 44% | 0.44 | S | S | . | . | trans | -112.4 | 116.8 | 176.9 | 66.6 | 0 | 0 | 0 | 0 | 112.1 | S754 S755 | S752-S754 PolarHBondContact O-N 2.68Å; S752-S755 WeakPolarHBondContact O-CB 3.45Å; S752-S755 PolarHBondContact O-N 2.76Å; S752-S755 PolarHBondContact O-OG 3.27Å; S752-S755 WeakPolarHBondContact OG-CB 3.4Å; S752-S755 PolarHBondContact OG-OG 3.18Å | ||
| 753 | P | 41.1 | Very low | 48.3 | Very low | 125 Ų | 125 | 67.7 Ų | 67.7 | 81% | 0.812 | 42% | 0.417 | S | S | * | . | G | 310 helix | trans | -67 | -17.1 | -176 | 22.3 | -31.1 | 0 | 0 | 0 | 114.2 | S755 | P753-S755 PolarHBondContact O-N 3.45Š|
| 754 | S | 38 | Very low | 49 | Very low | 107 Ų | 107 | 67.3 Ų | 67.3 | 75% | 0.748 | 41% | 0.41 | S | S | * | . | G | 310 helix | trans | -75.3 | -7.2 | 172.4 | 50.2 | 0 | 0 | 0 | 0 | 114 | S752 | S752-S754 PolarHBondContact O-N 2.68Š|
| 755 | S | 40 | Very low | 50.4 | Low | 20 Ų | 20 | 66.5 Ų | 66.5 | 14% | 0.14 | 41% | 0.406 | C | S | . | . | G | 310 helix | trans | -98.9 | 8.4 | -179.5 | 72.8 | 0 | 0 | 0 | 0 | 114.6 | S752 P753 S757 S758 T759 | S752-S755 WeakPolarHBondContact O-CB 3.45Å; S752-S755 PolarHBondContact O-N 2.76Å; S752-S755 PolarHBondContact O-OG 3.27Å; S752-S755 WeakPolarHBondContact OG-CB 3.4Å; S752-S755 PolarHBondContact OG-OG 3.18Å; P753-S755 PolarHBondContact O-N 3.45Å; S755-S757 PolarHBondContact O-N 3.22Å; S755-S757 VanDerWaalsContact O-N 3.16Å; S755-S758 PolarHBondContact O-N 2.68Å; S755-S758 VanDerWaalsContact O-N 3.09Å; S755-S758 PolarHBondContact O-OG 3.39Å; S755-T759 PolarHBondContact O-N 3.07Å; S755-T759 VanDerWaalsContact O-N 3.13Å; S755-T759 PolarHBondContact O-OG1 3.46Å; S755-T759 VanDerWaalsContact O-OG1 3.06Å |
| 756 | S | 43.2 | Very low | 51.8 | Low | 70 Ų | 70 | 62.2 Ų | 62.2 | 49% | 0.49 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -55.1 | -35.5 | 179.6 | 56.5 | 0 | 0 | 0 | 0 | 113.3 | T759 L760 | S756-T759 WeakPolarHBondContact CA-OG1 3.37Å; S756-T759 PolarHBondContact O-OG1 3.46Å; S756-L760 WeakPolarHBondContact O-CD1 3.35Å; S756-L760 VanDerWaalsContact O-CG 3.26Å; S756-L760 WeakPolarHBondContact O-CG 3.39Å; S756-L760 PolarHBondContact O-N 2.91Å |
| 757 | S | 42.9 | Very low | 53.2 | Low | 61 Ų | 61 | 60.6 Ų | 60.6 | 43% | 0.427 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -71.6 | -33.8 | 177.6 | 67.7 | 0 | 0 | 0 | 0 | 114.1 | S755 I761 | S755-S757 PolarHBondContact O-N 3.22Å; S755-S757 VanDerWaalsContact O-N 3.16Å; S757-I761 WeakPolarHBondContact O-CD1 3.15Å; S757-I761 VanDerWaalsContact O-CG1 3.3Å; S757-I761 WeakPolarHBondContact O-CG1 3.43Å; S757-I761 PolarHBondContact O-N 3.26Å |
| 758 | S | 45.8 | Very low | 55.1 | Low | 45 Ų | 45 | 57.8 Ų | 57.8 | 32% | 0.315 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -77 | -36.3 | 179.2 | 57.8 | 0 | 0 | 0 | 0 | 111.8 | S755 I761 S762 | S755-S758 PolarHBondContact O-N 2.68Å; S755-S758 VanDerWaalsContact O-N 3.09Å; S755-S758 PolarHBondContact O-OG 3.39Å; S758-I761 PolarHBondContact O-N 3.25Å; S758-S762 PolarHBondContact O-N 2.82Å |
| 759 | T | 54.3 | Low | 57.2 | Low | 56 Ų | 56 | 51.3 Ų | 51.3 | 34% | 0.344 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -64.4 | -43.6 | 175.4 | 45.3 | 0 | 0 | 0 | 0 | 111.8 | S755 S756 I761 S762 S763 | S755-T759 PolarHBondContact O-N 3.07Å; S755-T759 VanDerWaalsContact O-N 3.13Å; S755-T759 PolarHBondContact O-OG1 3.46Å; S755-T759 VanDerWaalsContact O-OG1 3.06Å; S756-T759 WeakPolarHBondContact CA-OG1 3.37Å; S756-T759 PolarHBondContact O-OG1 3.46Å; T759-I761 PolarHBondContact O-N 3.39Å; T759-S762 PolarHBondContact O-N 3.5Å; T759-S762 PolarHBondContact O-OG 3.01Å; T759-S763 PolarHBondContact O-N 3.27Å; T759-S763 VanDerWaalsContact O-N 3.13Å |
| 760 | L | 55.7 | Low | 59.3 | Low | 51 Ų | 51 | 46.2 Ų | 46.2 | 27% | 0.267 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -60.6 | -42.3 | 176.8 | -74.6 | 164.3 | 0 | 0 | 0 | 112.7 | M525 S756 S762 S763 | M525-L760 HydrophobicContact CE-CB 4.26Å; M525-L760 HydrophobicContact SD-CB 4.23Å; M525-L760 HydrophobicContact SD-CD1 3.79Å; M525-L760 HydrophobicContact SD-CD2 4.39Å; M525-L760 HydrophobicContact SD-CG 4.37Å; S756-L760 WeakPolarHBondContact O-CD1 3.35Å; S756-L760 VanDerWaalsContact O-CG 3.26Å; S756-L760 WeakPolarHBondContact O-CG 3.39Å; S756-L760 PolarHBondContact O-N 2.91Å; L760-S762 PolarHBondContact O-N 3.06Å; L760-S763 WeakPolarHBondContact O-CB 3.3Å; L760-S763 PolarHBondContact O-N 3.23Å; L760-S763 VanDerWaalsContact O-N 3.15Å; L760-S763 PolarHBondContact O-OG 3.34Å |
| 761 | I | 61.3 | Low | 61.5 | Low | 20 Ų | 20 | 43.1 Ų | 43.1 | 10% | 0.103 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -61.9 | -44.7 | 178.7 | -71.7 | 168.6 | 0 | 0 | 0 | 111.5 | R682 L683 V686 S757 S758 T759 S763 R764 | R682-I761 HydrophobicContact CG-CD1 4.3Å; R682-I761 VanDerWaalsContact NE-CD1 3.31Å; L683-I761 HydrophobicContact CD2-CD1 4.24Å; L683-I761 HydrophobicContact CD2-CG1 4.23Å; V686-I761 HydrophobicContact CB-CG2 4.33Å; V686-I761 HydrophobicContact CG1-CG2 4.32Å; V686-I761 HydrophobicContact CG2-CG2 3.18Å; S757-I761 WeakPolarHBondContact O-CD1 3.15Å; S757-I761 VanDerWaalsContact O-CG1 3.3Å; S757-I761 WeakPolarHBondContact O-CG1 3.43Å; S757-I761 PolarHBondContact O-N 3.26Å; S758-I761 PolarHBondContact O-N 3.25Å; T759-I761 PolarHBondContact O-N 3.39Å; I761-S763 PolarHBondContact O-N 3.34Å; I761-R764 PolarHBondContact O-N 2.67Å |
| 762 | S | 67.1 | Low | 63.7 | Low | 33 Ų | 33 | 38.4 Ų | 38.4 | 23% | 0.231 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62.2 | -33 | 177.1 | 71.5 | 0 | 0 | 0 | 0 | 112.1 | S758 T759 L760 R764 I765 I766 | S758-S762 PolarHBondContact O-N 2.82Å; T759-S762 PolarHBondContact O-N 3.5Å; T759-S762 PolarHBondContact O-OG 3.01Å; L760-S762 PolarHBondContact O-N 3.06Å; S762-R764 PolarHBondContact O-N 2.89Å; S762-I765 PolarHBondContact O-N 3.31Å; S762-I766 WeakPolarHBondContact O-CD1 3.39Å; S762-I766 WeakPolarHBondContact O-CG1 3.43Å; S762-I766 PolarHBondContact O-N 3Å |
| 763 | S | 68.8 | Low | 66 | Low | 18 Ų | 18 | 35.8 Ų | 35.8 | 13% | 0.126 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -64.1 | -37.8 | -177.5 | 79.2 | 0 | 0 | 0 | 0 | 113.2 | M528 T759 L760 I761 I766 Y767 | M528-S763 WeakPolarHBondContact CE-O 3.5Å; M528-S763 WeakPolarHBondContact CE-OG 3.47Å; T759-S763 PolarHBondContact O-N 3.27Å; T759-S763 VanDerWaalsContact O-N 3.13Å; L760-S763 WeakPolarHBondContact O-CB 3.3Å; L760-S763 PolarHBondContact O-N 3.23Å; L760-S763 VanDerWaalsContact O-N 3.15Å; L760-S763 PolarHBondContact O-OG 3.34Å; I761-S763 PolarHBondContact O-N 3.34Å; S763-I766 PolarHBondContact O-N 2.93Å; S763-Y767 VanDerWaalsContact O-CB 3.29Å; S763-Y767 WeakPolarHBondContact O-CB 3.2Å; S763-Y767 PolarHBondContact O-N 3.03Å |
| 764 | R | 75 | Confident | 68.1 | Low | 35 Ų | 35 | 31.2 Ų | 31.2 | 13% | 0.132 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -64.1 | -48.2 | -179.6 | -167.5 | 179.8 | -177.1 | -138.5 | 0.5 | 110.9 | E524 E687 V690 I761 S762 Y767 S768 | E524-R764 IonicContact OE1-NH2 2.71Å; E524-R764 PolarHBondContact OE1-NH2 3.06Å; E524-R764 IonicContact OE2-CZ 3.47Å; E524-R764 IonicContact OE2-NE 3.03Å; E524-R764 PolarHBondContact OE2-NE 3.49Å; E524-R764 IonicContact OE2-NH2 2.79Å; E524-R764 PolarHBondContact OE2-NH2 2.94Å; E687-R764 IonicContact OE1-NH2 2.63Å; E687-R764 IonicContact OE2-CZ 3.42Å; E687-R764 IonicContact OE2-NH1 3.87Å; E687-R764 PolarHBondContact OE2-NH1 3.11Å; E687-R764 IonicContact OE2-NH2 3.45Å; E687-R764 PolarHBondContact OE2-NH2 3.22Å; E687-R764 VanDerWaalsContact OE2-NH2 3.09Å; V690-R764 HydrophobicContact CG2-CG 3.93Å; I761-R764 PolarHBondContact O-N 2.67Å; S762-R764 PolarHBondContact O-N 2.89Å; R764-Y767 PolarHBondContact O-N 2.97Å; R764-S768 PolarHBondContact O-N 2.97Å; R764-S768 PolarHBondContact O-OG 2.98Å |
| 765 | I | 82.1 | Confident | 70.2 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -61 | -48 | 177.4 | -65.1 | 171.7 | 0 | 0 | 0 | 110.5 | F670 L673 V686 I689 V690 L693 F740 S762 Y767 S768 C769 | F670-I765 HydrophobicContact CD2-CB 4.45Å; F670-I765 HydrophobicContact CD2-CD1 3.69Å; F670-I765 HydrophobicContact CD2-CG2 4.03Å; F670-I765 HydrophobicContact CE2-CB 4.09Å; F670-I765 HydrophobicContact CE2-CD1 3.88Å; F670-I765 HydrophobicContact CE2-CG2 3.97Å; L673-I765 HydrophobicContact CD1-CD1 3.85Å; V686-I765 HydrophobicContact CB-CD1 4.41Å; V686-I765 HydrophobicContact CG1-CD1 4.19Å; V686-I765 HydrophobicContact CG1-CG1 4.05Å; V686-I765 HydrophobicContact CG2-CD1 4.09Å; I689-I765 HydrophobicContact CB-CD1 4.24Å; I689-I765 HydrophobicContact CB-CG1 4.34Å; I689-I765 HydrophobicContact CD1-CD1 3.83Å; I689-I765 HydrophobicContact CG2-CB 4.46Å; I689-I765 HydrophobicContact CG2-CD1 4.16Å; I689-I765 HydrophobicContact CG2-CG1 4.06Å; I689-I765 HydrophobicContact CG2-CG2 3.65Å; V690-I765 HydrophobicContact CG2-CG1 4.16Å; L693-I765 HydrophobicContact CD1-CG2 4.32Å; F740-I765 HydrophobicContact CD1-CG2 3.51Å; F740-I765 HydrophobicContact CE1-CG2 3.52Å; F740-I765 HydrophobicContact CG-CG2 4.46Å; F740-I765 HydrophobicContact CZ-CG2 4.47Å; S762-I765 PolarHBondContact O-N 3.31Å; I765-Y767 VanDerWaalsContact C-N 3.3Å; I765-Y767 PolarHBondContact O-N 3.42Å; I765-S768 PolarHBondContact O-N 3.48Å; I765-C769 VanDerWaalsContact O-CB 3.23Å; I765-C769 WeakPolarHBondContact O-CB 3.32Å; I765-C769 PolarHBondContact O-N 2.91Å |
| 766 | I | 81.4 | Confident | 72.4 | Confident | 8 Ų | 8 | 26 Ų | 26 | 4% | 0.041 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -64.4 | -37.3 | -178.6 | -61.8 | 165.4 | 0 | 0 | 0 | 110.7 | F670 F741 L744 S762 S763 C769 A770 I822 | F670-I766 HydrophobicContact CZ-CD1 4.32Å; F670-I766 HydrophobicContact CZ-CG1 4.11Å; F741-I766 HydrophobicContact CD1-CG2 3.9Å; F741-I766 HydrophobicContact CE1-CG2 3.9Å; L744-I766 HydrophobicContact CD1-CG2 4.43Å; L744-I766 HydrophobicContact CD2-CG2 4.41Å; S762-I766 WeakPolarHBondContact O-CD1 3.39Å; S762-I766 WeakPolarHBondContact O-CG1 3.43Å; S762-I766 PolarHBondContact O-N 3Å; S763-I766 PolarHBondContact O-N 2.93Å; I766-C769 WeakPolarHBondContact O-CB 3.22Å; I766-C769 PolarHBondContact O-N 3.16Å; I766-A770 WeakPolarHBondContact O-CB 3.48Å; I766-A770 PolarHBondContact O-N 3.11Å; I766-I822 HydrophobicContact CB-CD1 4.06Å; I766-I822 HydrophobicContact CG2-CD1 3.69Å; I766-I822 HydrophobicContact CG2-CG1 4.36Å; I766-I822 HydrophobicContact CG2-CG2 3.97Å |
| 767 | Y | 78.6 | Confident | 74.2 | Confident | 61 Ų | 61 | 22.7 Ų | 22.7 | 24% | 0.239 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -66.9 | -47.9 | 176 | 176.3 | -113.2 | 0 | 0 | 0 | 112.9 | M528 S763 R764 I765 C769 A770 Q771 N821 I822 | M528-Y767 HydrophobicContact CE-CD1 4.35Å; M528-Y767 HydrophobicContact CE-CG 4.12Å; M528-Y767 HydrophobicContact SD-CD1 3.9Å; M528-Y767 HydrophobicContact SD-CE1 4.49Å; M528-Y767 HydrophobicContact SD-CG 4.21Å; S763-Y767 VanDerWaalsContact O-CB 3.29Å; S763-Y767 WeakPolarHBondContact O-CB 3.2Å; S763-Y767 PolarHBondContact O-N 3.03Å; R764-Y767 PolarHBondContact O-N 2.97Å; I765-Y767 VanDerWaalsContact C-N 3.3Å; I765-Y767 PolarHBondContact O-N 3.42Å; Y767-C769 PolarHBondContact O-N 3.4Å; Y767-A770 PolarHBondContact O-N 2.76Å; Y767-A770 VanDerWaalsContact O-N 3.15Å; Y767-Q771 HydrophobicContact CD2-CG 4.4Å; Y767-Q771 HydrophobicContact CE1-CG 4.3Å; Y767-Q771 HydrophobicContact CE2-CG 4.05Å; Y767-Q771 WeakPolarHBondContact O-CG 3.42Å; Y767-Q771 PolarHBondContact O-N 2.82Å; Y767-Q771 PolarHBondContact OH-NE2 2.87Å; Y767-N821 HydrophobicContact CD2-CB 4Å; Y767-N821 HydrophobicContact CE2-CB 3.7Å; Y767-I822 HydrophobicContact CD2-CG1 4.29Å |
| 768 | S | 82.1 | Confident | 75.7 | Confident | 8 Ų | 8 | 21.5 Ų | 21.5 | 6% | 0.056 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -58.9 | -37.3 | 174 | -58.9 | 0 | 0 | 0 | 0 | 111.5 | R764 I765 Q771 L772 | R764-S768 PolarHBondContact O-N 2.97Å; R764-S768 PolarHBondContact O-OG 2.98Å; I765-S768 PolarHBondContact O-N 3.48Å; S768-Q771 PolarHBondContact O-N 3.48Å; S768-L772 WeakPolarHBondContact O-CB 3.38Å; S768-L772 PolarHBondContact O-N 2.93Å |
| 769 | C | 86.8 | Confident | 77 | Confident | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -65.9 | -44.5 | 175 | -170.1 | 0 | 0 | 0 | 0 | 112 | L693 F737 F740 F741 I765 I766 Y767 Q771 L772 F773 | L693-C769 HydrophobicContact CD1-CB 4.11Å; F737-C769 VanDerWaalsContact CD1-SG 3.59Å; F740-C769 HydrophobicContact CB-CB 4.35Å; F741-C769 HydrophobicContact CE1-CB 4.46Å; F741-C769 HydrophobicContact CZ-CB 4.48Å; I765-C769 VanDerWaalsContact O-CB 3.23Å; I765-C769 WeakPolarHBondContact O-CB 3.32Å; I765-C769 PolarHBondContact O-N 2.91Å; I766-C769 WeakPolarHBondContact O-CB 3.22Å; I766-C769 PolarHBondContact O-N 3.16Å; Y767-C769 PolarHBondContact O-N 3.4Å; C769-Q771 VanDerWaalsContact C-N 3.34Å; C769-Q771 PolarHBondContact O-N 3.42Å; C769-L772 PolarHBondContact O-N 3.2Å; C769-F773 WeakPolarHBondContact O-CB 3.36Å; C769-F773 PolarHBondContact O-N 3.44Å |
| 770 | A | 83.9 | Confident | 77.4 | Confident | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -65.7 | -34.8 | 176 | 0 | 0 | 0 | 0 | 0 | 112.8 | F741 I766 Y767 N774 I822 L826 | F741-A770 HydrophobicContact CE1-CB 4.23Å; F741-A770 HydrophobicContact CZ-CB 4.25Å; I766-A770 WeakPolarHBondContact O-CB 3.48Å; I766-A770 PolarHBondContact O-N 3.11Å; Y767-A770 PolarHBondContact O-N 2.76Å; Y767-A770 VanDerWaalsContact O-N 3.15Å; A770-N774 WeakPolarHBondContact O-CB 3.47Å; A770-N774 PolarHBondContact O-N 3.24Å; A770-I822 HydrophobicContact CB-CG2 3.96Å; A770-L826 HydrophobicContact CB-CD2 4.33Å; A770-L826 HydrophobicContact CB-CG 4.3Å |
| 771 | Q | 84.4 | Confident | 77.8 | Confident | 29 Ų | 29 | 23.4 Ų | 23.4 | 14% | 0.136 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -67.5 | -41.8 | 172.3 | -73.8 | -173.4 | -23.4 | 0 | 0 | 112.1 | R697 Y767 S768 C769 F773 N774 C775 | R697-Q771 VanDerWaalsContact NH1-CD 3.32Å; Y767-Q771 HydrophobicContact CD2-CG 4.4Å; Y767-Q771 HydrophobicContact CE1-CG 4.3Å; Y767-Q771 HydrophobicContact CE2-CG 4.05Å; Y767-Q771 WeakPolarHBondContact O-CG 3.42Å; Y767-Q771 PolarHBondContact O-N 2.82Å; Y767-Q771 PolarHBondContact OH-NE2 2.87Å; S768-Q771 PolarHBondContact O-N 3.48Å; C769-Q771 VanDerWaalsContact C-N 3.34Å; C769-Q771 PolarHBondContact O-N 3.42Å; Q771-F773 VanDerWaalsContact C-N 3.34Å; Q771-N774 PolarHBondContact O-N 2.9Å; Q771-C775 PolarHBondContact O-N 3.42Å; Q771-C775 PolarHBondContact O-SG 3.37Å; Q771-C775 VanDerWaalsContact O-SG 3.39Å |
| 772 | L | 87.1 | Confident | 77.7 | Confident | 4 Ų | 4 | 29.9 Ų | 29.9 | 2% | 0.021 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -63.9 | -42.3 | 175.3 | 178.3 | 145.4 | 0 | 0 | 0 | 110.9 | L693 W696 F737 S768 C769 N774 C775 L776 | L693-L772 HydrophobicContact CD2-CD1 4.15Å; L693-L772 WeakPolarHBondContact O-CD1 3.23Å; W696-L772 HydrophobicContact CB-CD1 3.25Å; W696-L772 HydrophobicContact CG-CD1 4.23Å; F737-L772 HydrophobicContact CE1-CD2 3.31Å; F737-L772 HydrophobicContact CZ-CD2 3.31Å; S768-L772 WeakPolarHBondContact O-CB 3.38Å; S768-L772 PolarHBondContact O-N 2.93Å; C769-L772 PolarHBondContact O-N 3.2Å; L772-N774 VanDerWaalsContact C-N 3.34Å; L772-N774 PolarHBondContact O-N 3.44Å; L772-C775 PolarHBondContact O-N 2.94Å; L772-L776 WeakPolarHBondContact O-CB 3.41Å; L772-L776 PolarHBondContact O-N 3.18Å |
| 773 | F | 86.7 | Confident | 77.6 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -56.5 | -50.5 | 171.2 | -172.4 | -88.4 | 0 | 0 | 0 | 109.9 | F737 F741 C769 Q771 C775 L776 F777 F802 L826 F830 | F737-F773 HydrophobicContact CD1-CD2 4.25Å; F737-F773 AromaticContact CD2-CD2 3.84Å; F737-F773 HydrophobicContact CD2-CD2 3.84Å; F737-F773 HydrophobicContact CD2-CE2 4.28Å; F737-F773 HydrophobicContact CE1-CB 4.12Å; F737-F773 HydrophobicContact CE1-CD2 4.25Å; F737-F773 AromaticContact CE2-CD2 3.85Å; F737-F773 HydrophobicContact CE2-CD2 3.85Å; F737-F773 HydrophobicContact CG-CD2 4.07Å; F737-F773 HydrophobicContact CZ-CB 4.3Å; F737-F773 HydrophobicContact CZ-CD2 4.07Å; F741-F773 HydrophobicContact CE2-CD2 4.43Å; C769-F773 WeakPolarHBondContact O-CB 3.36Å; C769-F773 PolarHBondContact O-N 3.44Å; Q771-F773 VanDerWaalsContact C-N 3.34Å; F773-C775 PolarHBondContact O-N 3.03Å; F773-L776 WeakPolarHBondContact O-CB 3.38Å; F773-L776 PolarHBondContact O-N 3.4Å; F773-L776 VanDerWaalsContact O-N 3.16Å; F773-F777 AromaticContact CD1-CD2 3.76Å; F773-F777 HydrophobicContact CD1-CD2 3.76Å; F773-F777 HydrophobicContact CD1-CE2 4.22Å; F773-F777 AromaticContact CD2-CD2 3.86Å; F773-F777 HydrophobicContact CD2-CD2 3.86Å; F773-F777 AromaticContact CD2-CE2 3.53Å; F773-F777 HydrophobicContact CD2-CE2 3.53Å; F773-F777 AromaticContact CE1-CD2 3.64Å; F773-F777 HydrophobicContact CE1-CD2 3.64Å; F773-F777 AromaticContact CE1-CE2 3.92Å; F773-F777 HydrophobicContact CE1-CE2 3.92Å; F773-F777 HydrophobicContact CE1-CG 4.27Å; F773-F777 AromaticContact CE2-CD2 3.74Å; F773-F777 HydrophobicContact CE2-CD2 3.74Å; F773-F777 AromaticContact CE2-CE2 3.17Å; F773-F777 HydrophobicContact CE2-CE2 3.17Å; F773-F777 AromaticContact CE2-CZ 3.9Å; F773-F777 HydrophobicContact CE2-CZ 3.9Å; F773-F777 AromaticContact CG-CD2 3.87Å; F773-F777 HydrophobicContact CG-CD2 3.87Å; F773-F777 HydrophobicContact CG-CE2 4.05Å; F773-F777 AromaticContact CZ-CD2 3.62Å; F773-F777 HydrophobicContact CZ-CD2 3.62Å; F773-F777 AromaticContact CZ-CE2 3.39Å; F773-F777 HydrophobicContact CZ-CE2 3.39Å; F773-F777 HydrophobicContact CZ-CG 4.41Å; F773-F777 AromaticContact CZ-CZ 3.94Å; F773-F777 HydrophobicContact CZ-CZ 3.94Å; F773-F777 VanDerWaalsContact O-CD2 3.22Å; F773-F777 WeakPolarHBondContact O-CD2 3.21Å; F773-F777 PolarHBondContact O-N 3.5Å; F773-F802 HydrophobicContact CZ-CE2 4.31Å; F773-L826 HydrophobicContact CB-CD2 4.39Å; F773-L826 HydrophobicContact CD1-CD2 3.62Å; F773-L826 HydrophobicContact CE1-CD2 4.04Å; F773-L826 HydrophobicContact CG-CD2 4.04Å; F773-F830 HydrophobicContact CE1-CE1 4.26Å; F773-F830 HydrophobicContact CE1-CE2 4.34Å; F773-F830 HydrophobicContact CE1-CZ 4.08Å; F773-F830 AromaticContact CZ-CE1 3.92Å; F773-F830 HydrophobicContact CZ-CE1 3.92Å; F773-F830 AromaticContact CZ-CZ 3.85Å; F773-F830 HydrophobicContact CZ-CZ 3.85Å |
| 774 | N | 84.6 | Confident | 77.6 | Confident | 30 Ų | 30 | 30.2 Ų | 30.2 | 16% | 0.16 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -56.7 | -50.7 | 177.6 | -165.1 | 41.6 | 0 | 0 | 0 | 112.9 | A770 Q771 L772 L776 F777 T778 S825 S829 | A770-N774 WeakPolarHBondContact O-CB 3.47Å; A770-N774 PolarHBondContact O-N 3.24Å; Q771-N774 PolarHBondContact O-N 2.9Å; L772-N774 VanDerWaalsContact C-N 3.34Å; L772-N774 PolarHBondContact O-N 3.44Å; N774-L776 VanDerWaalsContact C-N 3.3Å; N774-L776 PolarHBondContact O-N 3.26Å; N774-F777 PolarHBondContact O-N 2.76Å; N774-T778 WeakPolarHBondContact O-CB 3.46Å; N774-T778 WeakPolarHBondContact O-CG2 3.23Å; N774-T778 PolarHBondContact O-N 3.36Å; N774-T778 PolarHBondContact O-OG1 3.47Å; N774-T778 WeakPolarHBondContact OD1-CG2 3.33Å; N774-S825 PolarHBondContact OD1-O 3.31Å; N774-S829 WeakPolarHBondContact CA-OG 3.29Å; N774-S829 VanDerWaalsContact CB-OG 3.31Å; N774-S829 WeakPolarHBondContact CB-OG 3.2Å; N774-S829 PolarHBondContact OD1-N 3.39Å; N774-S829 PolarHBondContact OD1-OG 3.22Å |
| 775 | C | 83.4 | Confident | 77.5 | Confident | 17 Ų | 17 | 31 Ų | 31 | 12% | 0.115 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -58.7 | -39.8 | 177.3 | -71.2 | 0 | 0 | 0 | 0 | 112.9 | R697 V701 Q771 L772 F773 S779 | R697-C775 HydrophobicContact CG-CB 4.15Å; R697-C775 PolarHBondContact NE-SG 3.36Å; R697-C775 VanDerWaalsContact NE-SG 3.38Å; V701-C775 HydrophobicContact CG2-CB 4.19Å; Q771-C775 PolarHBondContact O-N 3.42Å; Q771-C775 PolarHBondContact O-SG 3.37Å; Q771-C775 VanDerWaalsContact O-SG 3.39Å; L772-C775 PolarHBondContact O-N 2.94Å; F773-C775 PolarHBondContact O-N 3.03Å; C775-S779 WeakPolarHBondContact O-CA 3.39Å; C775-S779 WeakPolarHBondContact O-CB 3.29Å; C775-S779 PolarHBondContact O-N 2.92Å |
| 776 | L | 84.2 | Confident | 77.2 | Confident | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -62.8 | -44.1 | 177.8 | -170.8 | 70.3 | 0 | 0 | 0 | 111.6 | I700 Y730 L733 F737 L772 F773 N774 S779 I784 P786 | I700-L776 HydrophobicContact CD1-CD1 3.93Å; Y730-L776 HydrophobicContact CE1-CD1 4.29Å; Y730-L776 HydrophobicContact CE1-CD2 4.43Å; L733-L776 HydrophobicContact CD1-CD2 4.37Å; F737-L776 HydrophobicContact CE2-CD2 4.12Å; F737-L776 HydrophobicContact CZ-CD2 4.32Å; L772-L776 WeakPolarHBondContact O-CB 3.41Å; L772-L776 PolarHBondContact O-N 3.18Å; F773-L776 WeakPolarHBondContact O-CB 3.38Å; F773-L776 PolarHBondContact O-N 3.4Å; F773-L776 VanDerWaalsContact O-N 3.16Å; N774-L776 VanDerWaalsContact C-N 3.3Å; N774-L776 PolarHBondContact O-N 3.26Å; L776-S779 PolarHBondContact O-OG 2.91Å; L776-I784 HydrophobicContact CD1-CG2 4.05Å; L776-P786 HydrophobicContact CG-CG 4.46Å |
| 777 | F | 81 | Confident | 76.8 | Confident | 1 Ų | 1 | 31.7 Ų | 31.7 | 0% | 0.004 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -87.8 | -22.2 | -172.8 | -77.3 | -81.9 | 0 | 0 | 0 | 114.5 | M734 F773 N774 R785 P786 I791 F802 F832 Y833 | M734-F777 HydrophobicContact CE-CE2 3.88Å; M734-F777 HydrophobicContact CE-CZ 3.63Å; F773-F777 AromaticContact CD1-CD2 3.76Å; F773-F777 HydrophobicContact CD1-CD2 3.76Å; F773-F777 HydrophobicContact CD1-CE2 4.22Å; F773-F777 AromaticContact CD2-CD2 3.86Å; F773-F777 HydrophobicContact CD2-CD2 3.86Å; F773-F777 AromaticContact CD2-CE2 3.53Å; F773-F777 HydrophobicContact CD2-CE2 3.53Å; F773-F777 AromaticContact CE1-CD2 3.64Å; F773-F777 HydrophobicContact CE1-CD2 3.64Å; F773-F777 AromaticContact CE1-CE2 3.92Å; F773-F777 HydrophobicContact CE1-CE2 3.92Å; F773-F777 HydrophobicContact CE1-CG 4.27Å; F773-F777 AromaticContact CE2-CD2 3.74Å; F773-F777 HydrophobicContact CE2-CD2 3.74Å; F773-F777 AromaticContact CE2-CE2 3.17Å; F773-F777 HydrophobicContact CE2-CE2 3.17Å; F773-F777 AromaticContact CE2-CZ 3.9Å; F773-F777 HydrophobicContact CE2-CZ 3.9Å; F773-F777 AromaticContact CG-CD2 3.87Å; F773-F777 HydrophobicContact CG-CD2 3.87Å; F773-F777 HydrophobicContact CG-CE2 4.05Å; F773-F777 AromaticContact CZ-CD2 3.62Å; F773-F777 HydrophobicContact CZ-CD2 3.62Å; F773-F777 AromaticContact CZ-CE2 3.39Å; F773-F777 HydrophobicContact CZ-CE2 3.39Å; F773-F777 HydrophobicContact CZ-CG 4.41Å; F773-F777 AromaticContact CZ-CZ 3.94Å; F773-F777 HydrophobicContact CZ-CZ 3.94Å; F773-F777 VanDerWaalsContact O-CD2 3.22Å; F773-F777 WeakPolarHBondContact O-CD2 3.21Å; F773-F777 PolarHBondContact O-N 3.5Å; N774-F777 PolarHBondContact O-N 2.76Å; F777-R785 PolarHBondContact O-NH2 3.41Å; F777-P786 HydrophobicContact CD1-CG 3.94Å; F777-P786 HydrophobicContact CE1-CG 3.65Å; F777-P786 HydrophobicContact CZ-CG 4.06Å; F777-I791 HydrophobicContact CE1-CD1 3.51Å; F777-I791 HydrophobicContact CZ-CD1 3.97Å; F777-F802 HydrophobicContact CE1-CD2 4.32Å; F777-F802 AromaticContact CE1-CE2 3.73Å; F777-F802 HydrophobicContact CE1-CE2 3.73Å; F777-F802 HydrophobicContact CZ-CD2 4.13Å; F777-F802 AromaticContact CZ-CE2 3.92Å; F777-F802 HydrophobicContact CZ-CE2 3.92Å; F777-F832 WeakPolarHBondContact O-CD1 3.43Å; F777-Y833 AromaticContact CD1-CD1 3.93Å; F777-Y833 HydrophobicContact CD1-CD1 3.93Å; F777-Y833 AromaticContact CD1-CD2 3.51Å; F777-Y833 HydrophobicContact CD1-CD2 3.51Å; F777-Y833 HydrophobicContact CD1-CE1 4.38Å; F777-Y833 HydrophobicContact CD1-CE2 4.01Å; F777-Y833 AromaticContact CD1-CG 3.49Å; F777-Y833 HydrophobicContact CD1-CG 3.49Å; F777-Y833 VanDerWaalsContact CD1-CG 3.49Å; F777-Y833 HydrophobicContact CE1-CD1 4.08Å; F777-Y833 HydrophobicContact CE1-CD2 4.18Å; F777-Y833 HydrophobicContact CE1-CE1 4.18Å; F777-Y833 HydrophobicContact CE1-CE2 4.28Å; F777-Y833 HydrophobicContact CE1-CG 4.1Å |
| 778 | T | 75 | Confident | 76.5 | Confident | 36 Ų | 36 | 29.6 Ų | 29.6 | 22% | 0.221 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -103.5 | -2.2 | 177.2 | 72.5 | 0 | 0 | 0 | 0 | 114.4 | N774 S780 F832 | N774-T778 WeakPolarHBondContact O-CB 3.46Å; N774-T778 WeakPolarHBondContact O-CG2 3.23Å; N774-T778 PolarHBondContact O-N 3.36Å; N774-T778 PolarHBondContact O-OG1 3.47Å; N774-T778 WeakPolarHBondContact OD1-CG2 3.33Å; T778-S780 PolarHBondContact O-N 3.12Å; T778-F832 HydrophobicContact CG2-CB 3.91Å; T778-F832 HydrophobicContact CG2-CD1 4.29Å; T778-F832 HydrophobicContact CG2-CG 4.08Å |
| 779 | S | 72.5 | Confident | 75.8 | Confident | 15 Ų | 15 | 32.3 Ų | 32.3 | 11% | 0.105 | 17% | 0.171 | C | C | . | . | trans | -55.3 | 135.7 | -179.7 | 55 | 0 | 0 | 0 | 0 | 112 | C775 L776 F781 | C775-S779 WeakPolarHBondContact O-CA 3.39Å; C775-S779 WeakPolarHBondContact O-CB 3.29Å; C775-S779 PolarHBondContact O-N 2.92Å; L776-S779 PolarHBondContact O-OG 2.91Å; S779-F781 VanDerWaalsContact C-N 3.28Å | ||
| 780 | S | 63.7 | Low | 75.1 | Confident | 99 Ų | 99 | 33 Ų | 33 | 69% | 0.692 | 18% | 0.175 | S | C | * | . | S | Bend | trans | -76.1 | -19.5 | 170.4 | 51.7 | 0 | 0 | 0 | 0 | 112.1 | T778 R782 | T778-S780 PolarHBondContact O-N 3.12Å; S780-R782 PolarHBondContact O-N 3.02Å |
| 781 | F | 63.1 | Low | 74.7 | Confident | 77 Ų | 77 | 33.1 Ų | 33.1 | 34% | 0.338 | 18% | 0.176 | S | C | . | . | trans | -75.8 | 108.4 | 179.1 | -61.4 | -70.2 | 0 | 0 | 0 | 111.2 | V701 S779 D783 | V701-F781 VanDerWaalsContact O-CE2 3.23Å; V701-F781 WeakPolarHBondContact O-CE2 3.38Å; S779-F781 VanDerWaalsContact C-N 3.28Å; F781-D783 PolarHBondContact O-N 3.32Å | ||
| 782 | R | 59.9 | Low | 74.2 | Confident | 157 Ų | 157 | 32.3 Ų | 32.3 | 59% | 0.592 | 17% | 0.172 | S | C | * | . | G | 310 helix | trans | -59.1 | -32.5 | -175.9 | -63.9 | 177.8 | 179.8 | -155.7 | -7.9 | 113.4 | S780 I784 R785 E839 | S780-R782 PolarHBondContact O-N 3.02Å; R782-I784 VanDerWaalsContact C-N 3.32Å; R782-I784 PolarHBondContact O-N 3.25Å; R782-R785 PolarHBondContact O-N 2.74Å; R782-E839 IonicContact CZ-OE1 3.79Å; R782-E839 IonicContact CZ-OE2 3.44Å; R782-E839 IonicContact NH1-OE2 2.84Å; R782-E839 PolarHBondContact NH1-OE2 3.4Å; R782-E839 VanDerWaalsContact NH2-CD 3.27Å; R782-E839 IonicContact NH2-OE1 3.16Å; R782-E839 PolarHBondContact NH2-OE1 3.43Å; R782-E839 IonicContact NH2-OE2 3.83Å; R782-E839 PolarHBondContact NH2-OE2 2.92Å |
| 783 | D | 64.4 | Low | 73.6 | Confident | 56 Ų | 56 | 35.8 Ų | 35.8 | 30% | 0.299 | 19% | 0.19 | S | C | . | . | G | 310 helix | trans | -73.6 | -18.5 | -168.1 | -54.3 | -16.7 | 0 | 0 | 0 | 114.3 | F707 K718 F781 | F707-D783 VanDerWaalsContact CD2-O 3.28Å; F707-D783 WeakPolarHBondContact CD2-O 3.31Å; K718-D783 IonicContact NZ-OD2 3.81Å; K718-D783 PolarHBondContact NZ-OD2 2.9Å; F781-D783 PolarHBondContact O-N 3.32Å |
| 784 | I | 70.2 | Confident | 72.8 | Confident | 2 Ų | 2 | 39.8 Ų | 39.8 | 1% | 0.01 | 22% | 0.215 | C | C | . | . | G | 310 helix | trans | -116.2 | 0.1 | 179 | -45.4 | 160.7 | 0 | 0 | 0 | 111.4 | I700 I705 Y730 L776 R782 | I700-I784 HydrophobicContact CG1-CD1 4.46Å; I700-I784 HydrophobicContact CG1-CG2 4.24Å; I700-I784 HydrophobicContact CG2-CD1 4.47Å; I705-I784 HydrophobicContact CB-CD1 3.69Å; I705-I784 HydrophobicContact CB-CG1 4.07Å; I705-I784 HydrophobicContact CG2-CD1 4.41Å; I705-I784 HydrophobicContact CG2-CG1 4.28Å; I705-I784 WeakPolarHBondContact O-CD1 3.44Å; I705-I784 WeakPolarHBondContact O-CG1 3.32Å; Y730-I784 PolarHBondContact OH-O 3.35Å; L776-I784 HydrophobicContact CD1-CG2 4.05Å; R782-I784 VanDerWaalsContact C-N 3.32Å; R782-I784 PolarHBondContact O-N 3.25Å |
| 785 | R | 73.2 | Confident | 72.2 | Confident | 52 Ų | 52 | 45.6 Ų | 45.6 | 20% | 0.196 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -70.6 | 131.1 | 178.1 | -168.9 | 179.7 | -170 | 158.4 | 14.1 | 108.6 | Y730 F777 R782 P787 F832 Y833 S836 | Y730-R785 PolarHBondContact OH-O 3.01Å; F777-R785 PolarHBondContact O-NH2 3.41Å; R782-R785 PolarHBondContact O-N 2.74Å; R785-P787 WeakPolarHBondContact O-CD 3.48Å; R785-P787 VanDerWaalsContact O-N 3.17Å; R785-F832 VanDerWaalsContact NH2-CD1 3.34Å; R785-Y833 HydrophobicContact CG-CE2 4.34Å; R785-S836 PolarHBondContact NH1-OG 3.46Å; R785-S836 PolarHBondContact NH2-OG 2.92Å |
| 786 | P | 74.5 | Confident | 72 | Confident | 1 Ų | 1 | 45.9 Ų | 45.9 | 1% | 0.006 | 25% | 0.248 | C | C | . | . | P | Polyproline II helix | trans | -66.7 | 122.2 | -177.1 | 29.8 | -37.5 | 0 | 0 | 0 | 109.4 | Y730 L776 F777 I791 Y833 | Y730-P786 HydrophobicContact CD1-CB 3.73Å; Y730-P786 HydrophobicContact CD2-CB 4.47Å; Y730-P786 HydrophobicContact CE1-CB 3.49Å; Y730-P786 VanDerWaalsContact CE1-CB 3.49Å; Y730-P786 HydrophobicContact CE1-CG 4.44Å; Y730-P786 HydrophobicContact CE2-CB 4.26Å; Y730-P786 HydrophobicContact CG-CB 4.23Å; Y730-P786 VanDerWaalsContact CZ-CA 3.47Å; L776-P786 HydrophobicContact CG-CG 4.46Å; F777-P786 HydrophobicContact CD1-CG 3.94Å; F777-P786 HydrophobicContact CE1-CG 3.65Å; F777-P786 HydrophobicContact CZ-CG 4.06Å; P786-I791 HydrophobicContact CB-CD1 3.32Å; P786-I791 HydrophobicContact CB-CG1 4.17Å; P786-I791 HydrophobicContact CG-CD1 3.41Å; P786-I791 VanDerWaalsContact CG-CD1 3.41Å; P786-Y833 HydrophobicContact CG-CE2 3.99Å; P786-Y833 WeakPolarHBondContact O-CE2 3.45Å; P786-Y833 PolarHBondContact O-OH 3.02Å |
| 787 | P | 73.5 | Confident | 71.8 | Confident | 21 Ų | 21 | 53.3 Ų | 53.3 | 14% | 0.136 | 28% | 0.276 | C | S | . | . | P | Polyproline II helix | trans | -69.4 | 140.8 | -174.3 | 27.8 | -33.9 | 0 | 0 | 0 | 110 | Y730 R785 S789 I790 I791 | Y730-P787 VanDerWaalsContact CE2-CD 3.49Å; R785-P787 WeakPolarHBondContact O-CD 3.48Å; R785-P787 VanDerWaalsContact O-N 3.17Å; P787-S789 PolarHBondContact O-N 3.31Å; P787-I790 HydrophobicContact CG-CB 4.18Å; P787-I790 HydrophobicContact CG-CD1 3.31Å; P787-I790 HydrophobicContact CG-CG1 3.69Å; P787-I790 PolarHBondContact O-N 2.82Å; P787-I791 PolarHBondContact O-N 3.31Å |
| 788 | S | 71.6 | Confident | 71.8 | Confident | 17 Ų | 17 | 53.8 Ų | 53.8 | 12% | 0.119 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -58.6 | -31.5 | -177.7 | 55.8 | 0 | 0 | 0 | 0 | 113.1 | I790 I791 F792 Y833 N838 L857 | S788-I790 PolarHBondContact O-N 3.38Å; S788-I791 PolarHBondContact O-N 3.08Å; S788-F792 WeakPolarHBondContact O-CB 3.5Å; S788-F792 PolarHBondContact O-N 3.06Å; S788-Y833 PolarHBondContact N-OH 3.12Å; S788-N838 WeakPolarHBondContact CB-ND2 3.35Å; S788-N838 PolarHBondContact OG-ND2 2.76Å; S788-L857 WeakPolarHBondContact O-CD2 3.44Å |
| 789 | S | 69 | Low | 72.1 | Confident | 64 Ų | 64 | 53.4 Ų | 53.4 | 45% | 0.448 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -59.8 | -32.4 | 174.5 | 54.4 | 0 | 0 | 0 | 0 | 112.9 | P787 N793 | P787-S789 PolarHBondContact O-N 3.31Å; S789-N793 WeakPolarHBondContact O-CB 3.32Å |
| 790 | I | 70.3 | Confident | 72.4 | Confident | 15 Ų | 15 | 56.5 Ų | 56.5 | 8% | 0.077 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -85.6 | -41.2 | -179.8 | -61.4 | 176.4 | 0 | 0 | 0 | 110.9 | E727 Y730 P787 S788 T798 | E727-I790 HydrophobicContact CB-CD1 4.4Å; E727-I790 HydrophobicContact CG-CD1 3.74Å; E727-I790 HydrophobicContact CG-CG1 4.04Å; Y730-I790 HydrophobicContact CD2-CD1 4.01Å; P787-I790 HydrophobicContact CG-CB 4.18Å; P787-I790 HydrophobicContact CG-CD1 3.31Å; P787-I790 HydrophobicContact CG-CG1 3.69Å; P787-I790 PolarHBondContact O-N 2.82Å; S788-I790 PolarHBondContact O-N 3.38Å; I790-T798 PolarHBondContact O-OG1 3.11Å |
| 791 | I | 77.4 | Confident | 73.2 | Confident | 3 Ų | 3 | 52 Ų | 52 | 2% | 0.015 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -77.2 | -43.3 | -177 | -70.7 | 167 | 0 | 0 | 0 | 112.1 | F777 P786 P787 S788 F799 F802 Y833 | F777-I791 HydrophobicContact CE1-CD1 3.51Å; F777-I791 HydrophobicContact CZ-CD1 3.97Å; P786-I791 HydrophobicContact CB-CD1 3.32Å; P786-I791 HydrophobicContact CB-CG1 4.17Å; P786-I791 HydrophobicContact CG-CD1 3.41Å; P786-I791 VanDerWaalsContact CG-CD1 3.41Å; P787-I791 PolarHBondContact O-N 3.31Å; S788-I791 PolarHBondContact O-N 3.08Å; I791-F799 VanDerWaalsContact O-CA 3.32Å; I791-F799 WeakPolarHBondContact O-CA 3.31Å; I791-F799 WeakPolarHBondContact O-CB 3.33Å; I791-F799 VanDerWaalsContact O-CD2 3.28Å; I791-F799 WeakPolarHBondContact O-CD2 3.43Å; I791-F802 HydrophobicContact CG2-CB 4.38Å; I791-F802 HydrophobicContact CG2-CD1 4.12Å; I791-F802 HydrophobicContact CG2-CD2 3.99Å; I791-F802 HydrophobicContact CG2-CE1 4.39Å; I791-F802 HydrophobicContact CG2-CE2 4.25Å; I791-F802 HydrophobicContact CG2-CG 3.91Å; I791-F802 HydrophobicContact CG2-CZ 4.44Å; I791-Y833 HydrophobicContact CD1-CE1 3.8Å; I791-Y833 HydrophobicContact CD1-CE2 4.24Å; I791-Y833 VanDerWaalsContact CD1-CZ 3.48Å; I791-Y833 WeakPolarHBondContact CD1-OH 3.46Å; I791-Y833 HydrophobicContact CG2-CE1 4.28Å |
| 792 | F | 73.8 | Confident | 74.1 | Confident | 11 Ų | 11 | 48.3 Ų | 48.3 | 5% | 0.048 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -96.3 | 15.7 | -174.8 | -59.2 | -59.9 | 0 | 0 | 0 | 113.4 | S788 V794 F799 F802 Y833 L834 L857 I860 L864 | S788-F792 WeakPolarHBondContact O-CB 3.5Å; S788-F792 PolarHBondContact O-N 3.06Å; F792-V794 PolarHBondContact O-N 3.18Å; F792-F799 HydrophobicContact CD1-CD2 4.19Å; F792-F799 HydrophobicContact CD1-CE2 4.03Å; F792-F802 HydrophobicContact CE1-CE1 4.08Å; F792-Y833 HydrophobicContact CE2-CD1 4.32Å; F792-Y833 AromaticContact CE2-CE1 3.54Å; F792-Y833 HydrophobicContact CE2-CE1 3.54Å; F792-Y833 AromaticContact CZ-CD1 3.99Å; F792-Y833 HydrophobicContact CZ-CD1 3.99Å; F792-Y833 AromaticContact CZ-CE1 3.54Å; F792-Y833 HydrophobicContact CZ-CE1 3.54Å; F792-L834 HydrophobicContact CE1-CD2 4.25Å; F792-L834 HydrophobicContact CZ-CD2 3.88Å; F792-L857 HydrophobicContact CB-CD2 3.95Å; F792-L857 HydrophobicContact CD2-CD2 4.24Å; F792-I860 HydrophobicContact CD1-CG2 4.01Å; F792-L864 HydrophobicContact CD1-CD1 4.28Å; F792-L864 HydrophobicContact CE1-CD1 3.7Å |
| 793 | N | 74.3 | Confident | 75.2 | Confident | 77 Ų | 77 | 42.7 Ų | 42.7 | 41% | 0.412 | 23% | 0.226 | S | C | . | . | trans | -68 | 104.1 | 167 | -175.8 | -11.2 | 0 | 0 | 0 | 108.6 | S789 N795 S796 F799 | S789-N793 WeakPolarHBondContact O-CB 3.32Å; N793-N795 PolarHBondContact O-N 3.45Å; N793-N795 PolarHBondContact OD1-N 3.2Å; N793-S796 WeakPolarHBondContact O-CB 3.44Å; N793-S796 PolarHBondContact O-N 2.93Å; N793-S796 PolarHBondContact O-OG 3.46Å; N793-F799 WeakPolarHBondContact O-CB 3.41Å | ||
| 794 | V | 69 | Low | 75.9 | Confident | 84 Ų | 84 | 41.1 Ų | 41.1 | 51% | 0.509 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | -27.7 | -173.7 | -177.7 | 0 | 0 | 0 | 0 | 112.7 | F792 F799 I860 | F792-V794 PolarHBondContact O-N 3.18Å; V794-F799 HydrophobicContact CG1-CE1 4.4Å; V794-I860 HydrophobicContact CG2-CD1 3.65Å |
| 795 | N | 71.8 | Confident | 76.4 | Confident | 153 Ų | 153 | 41.3 Ų | 41.3 | 82% | 0.818 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.7 | -7.2 | 179.9 | -64.3 | -19.7 | 0 | 0 | 0 | 113.4 | N793 | N793-N795 PolarHBondContact O-N 3.45Å; N793-N795 PolarHBondContact OD1-N 3.2Å |
| 796 | S | 79.6 | Confident | 76.8 | Confident | 22 Ų | 22 | 38.9 Ų | 38.9 | 15% | 0.154 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -83.8 | 148.1 | -177.2 | 74.5 | 0 | 0 | 0 | 0 | 112 | N793 T798 F799 T800 | N793-S796 WeakPolarHBondContact O-CB 3.44Å; N793-S796 PolarHBondContact O-N 2.93Å; N793-S796 PolarHBondContact O-OG 3.46Å; S796-T798 WeakPolarHBondContact CB-OG1 3.22Å; S796-T798 PolarHBondContact O-N 3.01Å; S796-T798 PolarHBondContact OG-OG1 2.93Å; S796-F799 PolarHBondContact O-N 3.11Å; S796-F799 PolarHBondContact OG-N 3.43Å; S796-F799 VanDerWaalsContact OG-N 3.15Å; S796-T800 PolarHBondContact O-N 2.94Å |
| 797 | R | 79.8 | Confident | 77.2 | Confident | 157 Ų | 157 | 40.9 Ų | 40.9 | 59% | 0.592 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -63.6 | -28.1 | 170.2 | -167.3 | 178.1 | -176.5 | -175.2 | 5.3 | 111.9 | E735 T800 I801 | E735-R797 IonicContact OE1-CZ 3.2Å; E735-R797 IonicContact OE1-NE 3.51Å; E735-R797 IonicContact OE1-NH1 2.67Å; E735-R797 PolarHBondContact OE1-NH1 3.26Å; E735-R797 IonicContact OE1-NH2 3.85Å; R797-T800 PolarHBondContact O-N 3.27Å; R797-T800 PolarHBondContact O-OG1 2.96Å; R797-I801 HydrophobicContact CG-CD1 4.09Å; R797-I801 HydrophobicContact CG-CG1 4.49Å; R797-I801 VanDerWaalsContact O-CG1 3.3Å; R797-I801 WeakPolarHBondContact O-CG1 3.47Å; R797-I801 PolarHBondContact O-N 3.43Å |
| 798 | T | 80.6 | Confident | 77.2 | Confident | 11 Ų | 11 | 40.3 Ų | 40.3 | 7% | 0.067 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -61.5 | -43.9 | 175.3 | 46.8 | 0 | 0 | 0 | 0 | 111.7 | M734 I790 S796 I801 F802 | M734-T798 HydrophobicContact CB-CG2 4.4Å; M734-T798 HydrophobicContact CG-CG2 4.21Å; I790-T798 PolarHBondContact O-OG1 3.11Å; S796-T798 WeakPolarHBondContact CB-OG1 3.22Å; S796-T798 PolarHBondContact O-N 3.01Å; S796-T798 PolarHBondContact OG-OG1 2.93Å; T798-I801 PolarHBondContact O-N 3.38Å; T798-F802 WeakPolarHBondContact O-CB 3.49Å; T798-F802 PolarHBondContact O-N 3.34Å |
| 799 | F | 81.3 | Confident | 77.4 | Confident | 28 Ų | 28 | 39.5 Ų | 39.5 | 12% | 0.123 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -64.3 | -43 | 177.4 | -179 | -111.1 | 0 | 0 | 0 | 111.9 | I791 F792 N793 V794 S796 I801 F802 N803 I860 | I791-F799 VanDerWaalsContact O-CA 3.32Å; I791-F799 WeakPolarHBondContact O-CA 3.31Å; I791-F799 WeakPolarHBondContact O-CB 3.33Å; I791-F799 VanDerWaalsContact O-CD2 3.28Å; I791-F799 WeakPolarHBondContact O-CD2 3.43Å; F792-F799 HydrophobicContact CD1-CD2 4.19Å; F792-F799 HydrophobicContact CD1-CE2 4.03Å; N793-F799 WeakPolarHBondContact O-CB 3.41Å; V794-F799 HydrophobicContact CG1-CE1 4.4Å; S796-F799 PolarHBondContact O-N 3.11Å; S796-F799 PolarHBondContact OG-N 3.43Å; S796-F799 VanDerWaalsContact OG-N 3.15Å; F799-I801 VanDerWaalsContact C-N 3.32Å; F799-I801 PolarHBondContact O-N 3.29Å; F799-F802 PolarHBondContact O-N 3.21Å; F799-N803 WeakPolarHBondContact O-CB 3.42Å; F799-N803 PolarHBondContact O-N 3.34Å; F799-I860 HydrophobicContact CE2-CG2 4.19Å; F799-I860 HydrophobicContact CZ-CG2 4.38Å |
| 800 | T | 79.6 | Confident | 77.5 | Confident | 79 Ų | 79 | 36.8 Ų | 36.8 | 49% | 0.485 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -64.5 | -38.4 | 179.7 | 62.6 | 0 | 0 | 0 | 0 | 112.1 | S796 R797 S804 | S796-T800 PolarHBondContact O-N 2.94Å; R797-T800 PolarHBondContact O-N 3.27Å; R797-T800 PolarHBondContact O-OG1 2.96Å; T800-S804 WeakPolarHBondContact O-CB 3.4Å; T800-S804 PolarHBondContact O-N 3.34Å |
| 801 | I | 80 | Confident | 77.6 | Confident | 4 Ų | 4 | 41.4 Ų | 41.4 | 2% | 0.021 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -67 | -51 | 174.9 | -67.1 | 169.6 | 0 | 0 | 0 | 110.9 | M734 E735 Q738 R797 T798 F799 N803 S804 I805 | M734-I801 HydrophobicContact CB-CB 4.41Å; M734-I801 HydrophobicContact CB-CD1 4.34Å; M734-I801 HydrophobicContact CB-CG2 4.1Å; M734-I801 WeakPolarHBondContact O-CG2 3.28Å; E735-I801 HydrophobicContact CG-CD1 3.79Å; Q738-I801 HydrophobicContact CB-CG2 3.77Å; Q738-I801 HydrophobicContact CG-CG2 4.2Å; R797-I801 HydrophobicContact CG-CD1 4.09Å; R797-I801 HydrophobicContact CG-CG1 4.49Å; R797-I801 VanDerWaalsContact O-CG1 3.3Å; R797-I801 WeakPolarHBondContact O-CG1 3.47Å; R797-I801 PolarHBondContact O-N 3.43Å; T798-I801 PolarHBondContact O-N 3.38Å; F799-I801 VanDerWaalsContact C-N 3.32Å; F799-I801 PolarHBondContact O-N 3.29Å; I801-N803 VanDerWaalsContact C-N 3.28Å; I801-N803 PolarHBondContact O-N 3.04Å; I801-S804 WeakPolarHBondContact O-CA 3.37Å; I801-S804 WeakPolarHBondContact O-CB 3.34Å; I801-S804 PolarHBondContact O-N 3.41Å; I801-S804 PolarHBondContact O-OG 3.07Å; I801-I805 HydrophobicContact CG2-CD1 4Å; I801-I805 WeakPolarHBondContact O-CG1 3.28Å; I801-I805 PolarHBondContact O-N 3.38Å |
| 802 | F | 82.9 | Confident | 76.9 | Confident | 1 Ų | 1 | 46.7 Ų | 46.7 | 0% | 0.004 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -55.4 | -46.2 | 177.9 | 179.5 | -91.1 | 0 | 0 | 0 | 111.1 | F773 F777 I791 F792 T798 F799 S804 I805 F806 F830 Y833 L864 | F773-F802 HydrophobicContact CZ-CE2 4.31Å; F777-F802 HydrophobicContact CE1-CD2 4.32Å; F777-F802 AromaticContact CE1-CE2 3.73Å; F777-F802 HydrophobicContact CE1-CE2 3.73Å; F777-F802 HydrophobicContact CZ-CD2 4.13Å; F777-F802 AromaticContact CZ-CE2 3.92Å; F777-F802 HydrophobicContact CZ-CE2 3.92Å; I791-F802 HydrophobicContact CG2-CB 4.38Å; I791-F802 HydrophobicContact CG2-CD1 4.12Å; I791-F802 HydrophobicContact CG2-CD2 3.99Å; I791-F802 HydrophobicContact CG2-CE1 4.39Å; I791-F802 HydrophobicContact CG2-CE2 4.25Å; I791-F802 HydrophobicContact CG2-CG 3.91Å; I791-F802 HydrophobicContact CG2-CZ 4.44Å; F792-F802 HydrophobicContact CE1-CE1 4.08Å; T798-F802 WeakPolarHBondContact O-CB 3.49Å; T798-F802 PolarHBondContact O-N 3.34Å; F799-F802 PolarHBondContact O-N 3.21Å; F802-S804 VanDerWaalsContact C-N 3.33Å; F802-S804 PolarHBondContact O-N 2.96Å; F802-I805 PolarHBondContact O-N 3.48Å; F802-F806 WeakPolarHBondContact O-CB 3.49Å; F802-F806 PolarHBondContact O-N 3Å; F802-F830 HydrophobicContact CD2-CE1 4.13Å; F802-F830 HydrophobicContact CE1-CD1 4.27Å; F802-F830 HydrophobicContact CE1-CE1 4.01Å; F802-F830 AromaticContact CE2-CD1 3.95Å; F802-F830 HydrophobicContact CE2-CD1 3.95Å; F802-F830 AromaticContact CE2-CE1 3.5Å; F802-F830 HydrophobicContact CE2-CE1 3.5Å; F802-F830 AromaticContact CZ-CD1 3.56Å; F802-F830 HydrophobicContact CZ-CD1 3.56Å; F802-F830 AromaticContact CZ-CE1 3.44Å; F802-F830 HydrophobicContact CZ-CE1 3.44Å; F802-F830 VanDerWaalsContact CZ-CE1 3.44Å; F802-Y833 HydrophobicContact CZ-CD1 4.33Å; F802-L864 HydrophobicContact CE1-CD1 4.4Å |
| 803 | N | 81.7 | Confident | 76.2 | Confident | 38 Ų | 38 | 54.5 Ų | 54.5 | 20% | 0.203 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -63.9 | -38.2 | 176.5 | -165.4 | 40.6 | 0 | 0 | 0 | 111.6 | F799 I801 I805 F806 D807 R867 | F799-N803 WeakPolarHBondContact O-CB 3.42Å; F799-N803 PolarHBondContact O-N 3.34Å; I801-N803 VanDerWaalsContact C-N 3.28Å; I801-N803 PolarHBondContact O-N 3.04Å; N803-I805 PolarHBondContact O-N 2.97Å; N803-F806 WeakPolarHBondContact O-CB 3.41Å; N803-F806 PolarHBondContact O-N 3.43Å; N803-D807 VanDerWaalsContact O-CB 3.31Å; N803-D807 WeakPolarHBondContact O-CB 3.13Å; N803-D807 PolarHBondContact O-N 3.32Å; N803-R867 PolarHBondContact OD1-NH2 3.31Å |
| 804 | S | 80.2 | Confident | 75.2 | Confident | 24 Ų | 24 | 51.4 Ų | 51.4 | 17% | 0.168 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -66.9 | -33.3 | 177 | 81.5 | 0 | 0 | 0 | 0 | 113.8 | T800 I801 F802 S808 | T800-S804 WeakPolarHBondContact O-CB 3.4Å; T800-S804 PolarHBondContact O-N 3.34Å; I801-S804 WeakPolarHBondContact O-CA 3.37Å; I801-S804 WeakPolarHBondContact O-CB 3.34Å; I801-S804 PolarHBondContact O-N 3.41Å; I801-S804 PolarHBondContact O-OG 3.07Å; F802-S804 VanDerWaalsContact C-N 3.33Å; F802-S804 PolarHBondContact O-N 2.96Å; S804-S808 PolarHBondContact O-N 3.35Å; S804-S808 VanDerWaalsContact O-N 3.11Å |
| 805 | I | 80.6 | Confident | 74.6 | Confident | 5 Ų | 5 | 48.3 Ų | 48.3 | 3% | 0.026 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -72 | -45.6 | 174 | -62.4 | 166.5 | 0 | 0 | 0 | 108.6 | F737 F741 I801 F802 N803 D807 S808 V809 F830 | F737-I805 HydrophobicContact CB-CD1 4.03Å; F741-I805 HydrophobicContact CD2-CD1 3.98Å; F741-I805 HydrophobicContact CD2-CG1 4.28Å; F741-I805 HydrophobicContact CD2-CG2 4.14Å; I801-I805 HydrophobicContact CG2-CD1 4Å; I801-I805 WeakPolarHBondContact O-CG1 3.28Å; I801-I805 PolarHBondContact O-N 3.38Å; F802-I805 PolarHBondContact O-N 3.48Å; N803-I805 PolarHBondContact O-N 2.97Å; I805-D807 VanDerWaalsContact C-N 3.33Å; I805-D807 PolarHBondContact O-N 2.65Å; I805-S808 PolarHBondContact O-N 3.03Å; I805-S808 PolarHBondContact O-OG 3.24Å; I805-V809 WeakPolarHBondContact O-CG2 3.44Å; I805-V809 PolarHBondContact O-N 3.29Å; I805-V809 VanDerWaalsContact O-N 3.09Å; I805-F830 HydrophobicContact CB-CZ 4.44Å; I805-F830 HydrophobicContact CG2-CE2 4.38Å; I805-F830 HydrophobicContact CG2-CZ 3.93Å |
| 806 | F | 82.3 | Confident | 73.9 | Confident | 1 Ų | 1 | 46.5 Ų | 46.5 | 0% | 0.004 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -57.4 | -45 | 175.1 | -178.9 | -78.7 | 0 | 0 | 0 | 112.1 | F802 N803 S808 V809 C810 F830 L834 L864 R867 L868 | F802-F806 WeakPolarHBondContact O-CB 3.49Å; F802-F806 PolarHBondContact O-N 3Å; N803-F806 WeakPolarHBondContact O-CB 3.41Å; N803-F806 PolarHBondContact O-N 3.43Å; F806-S808 VanDerWaalsContact C-N 3.33Å; F806-S808 PolarHBondContact O-N 3.19Å; F806-V809 WeakPolarHBondContact O-CB 3.32Å; F806-V809 PolarHBondContact O-N 2.89Å; F806-V809 VanDerWaalsContact O-N 3.16Å; F806-C810 HydrophobicContact CE1-CB 4.46Å; F806-C810 WeakPolarHBondContact CE1-SG 3.29Å; F806-C810 PolarHBondContact O-N 3.46Å; F806-C810 PolarHBondContact O-SG 3.5Å; F806-F830 HydrophobicContact CB-CE1 4.07Å; F806-F830 HydrophobicContact CB-CZ 4.08Å; F806-F830 AromaticContact CD2-CD1 3.85Å; F806-F830 HydrophobicContact CD2-CD1 3.85Å; F806-F830 HydrophobicContact CD2-CD2 4.45Å; F806-F830 HydrophobicContact CD2-CE1 4.08Å; F806-F830 HydrophobicContact CD2-CG 4.06Å; F806-F830 HydrophobicContact CD2-CZ 4.5Å; F806-L834 HydrophobicContact CE2-CD1 4Å; F806-L864 HydrophobicContact CD1-CD2 4.46Å; F806-L864 HydrophobicContact CE1-CD2 4.33Å; F806-L864 HydrophobicContact CZ-CB 4.5Å; F806-L864 HydrophobicContact CZ-CD2 4.48Å; F806-L864 VanDerWaalsContact CZ-O 3.28Å; F806-L864 WeakPolarHBondContact CZ-O 3.43Å; F806-R867 HydrophobicContact CE1-CB 4.37Å; F806-R867 HydrophobicContact CE1-CG 4.19Å; F806-R867 VanDerWaalsContact CE1-CZ 3.49Å; F806-R867 HydrophobicContact CZ-CB 4.4Å; F806-L868 HydrophobicContact CE2-CB 3.99Å; F806-L868 HydrophobicContact CE2-CD1 3.94Å; F806-L868 HydrophobicContact CE2-CG 4.41Å; F806-L868 HydrophobicContact CZ-CB 3.78Å |
| 807 | D | 81 | Confident | 72.8 | Confident | 43 Ų | 43 | 48.4 Ų | 48.4 | 23% | 0.23 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -63.5 | -40.5 | 178.1 | -69.7 | -24.2 | 0 | 0 | 0 | 110.4 | N803 I805 V809 C810 E811 R867 | N803-D807 VanDerWaalsContact O-CB 3.31Å; N803-D807 WeakPolarHBondContact O-CB 3.13Å; N803-D807 PolarHBondContact O-N 3.32Å; I805-D807 VanDerWaalsContact C-N 3.33Å; I805-D807 PolarHBondContact O-N 2.65Å; D807-V809 PolarHBondContact O-N 2.98Å; D807-C810 PolarHBondContact O-N 3.32Å; D807-C810 VanDerWaalsContact O-N 3.12Å; D807-E811 WeakPolarHBondContact O-CB 3.41Å; D807-E811 WeakPolarHBondContact O-CG 3.47Å; D807-E811 PolarHBondContact O-N 3.14Å; D807-R867 IonicContact OD1-CZ 3.15Å; D807-R867 IonicContact OD1-NH1 2.7Å; D807-R867 PolarHBondContact OD1-NH1 3.06Å; D807-R867 IonicContact OD1-NH2 3.1Å; D807-R867 PolarHBondContact OD1-NH2 3.45Å; D807-R867 VanDerWaalsContact OD1-NH2 3.1Å |
| 808 | S | 74.1 | Confident | 72 | Confident | 9 Ų | 9 | 41.7 Ų | 41.7 | 6% | 0.063 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -64.1 | -27.7 | 175.3 | 72.5 | 0 | 0 | 0 | 0 | 114 | S804 I805 F806 C814 | S804-S808 PolarHBondContact O-N 3.35Å; S804-S808 VanDerWaalsContact O-N 3.11Å; I805-S808 PolarHBondContact O-N 3.03Å; I805-S808 PolarHBondContact O-OG 3.24Å; F806-S808 VanDerWaalsContact C-N 3.33Å; F806-S808 PolarHBondContact O-N 3.19Å; S808-C814 WeakPolarHBondContact O-CB 3.38Å |
| 809 | V | 75.5 | Confident | 71.4 | Confident | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.006 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -77.6 | -35.7 | 173.9 | 169.2 | 0 | 0 | 0 | 0 | 111 | I805 F806 D807 Q815 L823 L826 V827 F830 L872 | I805-V809 WeakPolarHBondContact O-CG2 3.44Å; I805-V809 PolarHBondContact O-N 3.29Å; I805-V809 VanDerWaalsContact O-N 3.09Å; F806-V809 WeakPolarHBondContact O-CB 3.32Å; F806-V809 PolarHBondContact O-N 2.89Å; F806-V809 VanDerWaalsContact O-N 3.16Å; D807-V809 PolarHBondContact O-N 2.98Å; V809-Q815 PolarHBondContact O-NE2 3.44Å; V809-Q815 VanDerWaalsContact O-NE2 3.1Å; V809-L823 HydrophobicContact CG1-CD1 3.82Å; V809-L826 HydrophobicContact CG2-CB 4.3Å; V809-L826 HydrophobicContact CG2-CD1 3.98Å; V809-V827 HydrophobicContact CG1-CG2 3.81Å; V809-F830 HydrophobicContact CG2-CE2 4.11Å; V809-L872 HydrophobicContact CG1-CD1 3.64Å |
| 810 | C | 72.5 | Confident | 70.7 | Confident | 6 Ų | 6 | 43.5 Ų | 43.5 | 4% | 0.041 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -82.6 | -27.2 | -178.5 | -64.2 | 0 | 0 | 0 | 0 | 114 | F806 D807 Q812 Q815 Q871 | F806-C810 HydrophobicContact CE1-CB 4.46Å; F806-C810 WeakPolarHBondContact CE1-SG 3.29Å; F806-C810 PolarHBondContact O-N 3.46Å; F806-C810 PolarHBondContact O-SG 3.5Å; D807-C810 PolarHBondContact O-N 3.32Å; D807-C810 VanDerWaalsContact O-N 3.12Å; C810-Q812 PolarHBondContact O-N 3.41Å; C810-Q815 PolarHBondContact O-NE2 2.73Å; C810-Q871 HydrophobicContact CB-CB 4.28Å |
| 811 | E | 72 | Confident | 70.2 | Confident | 112 Ų | 112 | 41 Ų | 41 | 52% | 0.523 | 21% | 0.213 | S | C | . | . | trans | -70.6 | 120.4 | -179.2 | -81.2 | -173 | -175.8 | 0 | 0 | 112.8 | D807 K813 C814 Q815 | D807-E811 WeakPolarHBondContact O-CB 3.41Å; D807-E811 WeakPolarHBondContact O-CG 3.47Å; D807-E811 PolarHBondContact O-N 3.14Å; E811-K813 PolarHBondContact O-N 3.33Å; E811-K813 VanDerWaalsContact O-N 3.13Å; E811-C814 PolarHBondContact O-N 3.26Å; E811-C814 VanDerWaalsContact O-N 3.09Å; E811-Q815 WeakPolarHBondContact O-CG 3.35Å; E811-Q815 PolarHBondContact O-N 3.39Å | ||
| 812 | Q | 63.3 | Low | 69.9 | Low | 115 Ų | 115 | 41 Ų | 41 | 54% | 0.537 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -54.8 | -33.3 | 180 | -76.2 | -177.5 | -22.6 | 0 | 0 | 114.3 | C810 C814 Q815 | C810-Q812 PolarHBondContact O-N 3.41Å; Q812-C814 VanDerWaalsContact C-N 3.31Å; Q812-C814 PolarHBondContact O-N 3.13Å; Q812-Q815 PolarHBondContact O-N 3.37Å |
| 813 | K | 59 | Low | 69.6 | Low | 174 Ų | 174 | 41.3 Ų | 41.3 | 76% | 0.757 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -67.6 | -30.8 | -179 | -68.3 | -177.4 | -179.9 | 177.4 | 0 | 113 | E811 | E811-K813 PolarHBondContact O-N 3.33Å; E811-K813 VanDerWaalsContact O-N 3.13Å |
| 814 | C | 52.4 | Low | 69.5 | Low | 12 Ų | 12 | 40.1 Ų | 40.1 | 8% | 0.081 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -84 | -22.9 | 179.4 | -68 | 0 | 0 | 0 | 0 | 111.8 | S808 E811 Q812 T816 S817 I818 | S808-C814 WeakPolarHBondContact O-CB 3.38Å; E811-C814 PolarHBondContact O-N 3.26Å; E811-C814 VanDerWaalsContact O-N 3.09Å; Q812-C814 VanDerWaalsContact C-N 3.31Å; Q812-C814 PolarHBondContact O-N 3.13Å; C814-T816 VanDerWaalsContact C-N 3.33Å; C814-T816 PolarHBondContact O-N 3.43Å; C814-S817 PolarHBondContact O-N 2.71Å; C814-S817 PolarHBondContact O-OG 3.42Å; C814-I818 WeakPolarHBondContact O-CG1 3.34Å |
| 815 | Q | 57.5 | Low | 69.4 | Low | 19 Ų | 19 | 39.6 Ų | 39.6 | 9% | 0.089 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -64.8 | -31.6 | -173 | -72.1 | 165.9 | 0.3 | 0 | 0 | 114.1 | V809 C810 E811 Q812 S817 Y892 | V809-Q815 PolarHBondContact O-NE2 3.44Å; V809-Q815 VanDerWaalsContact O-NE2 3.1Å; C810-Q815 PolarHBondContact O-NE2 2.73Å; E811-Q815 WeakPolarHBondContact O-CG 3.35Å; E811-Q815 PolarHBondContact O-N 3.39Å; Q812-Q815 PolarHBondContact O-N 3.37Å; Q815-S817 VanDerWaalsContact C-N 3.28Å; Q815-S817 PolarHBondContact O-N 2.94Å; Q815-Y892 WeakPolarHBondContact CB-OH 3.45Å; Q815-Y892 WeakPolarHBondContact CG-OH 3.47Å; Q815-Y892 PolarHBondContact OE1-OH 2.91Å |
| 816 | T | 56 | Low | 69.5 | Low | 116 Ų | 116 | 39.4 Ų | 39.4 | 71% | 0.712 | 20% | 0.204 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.1 | -17.7 | -176.9 | 52.1 | 0 | 0 | 0 | 0 | 114.2 | C814 | C814-T816 VanDerWaalsContact C-N 3.33Å; C814-T816 PolarHBondContact O-N 3.43Å |
| 817 | S | 57 | Low | 69.5 | Low | 61 Ų | 61 | 39.3 Ų | 39.3 | 43% | 0.427 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.2 | -18.8 | -179.2 | 59.2 | 0 | 0 | 0 | 0 | 113.8 | C814 Q815 | C814-S817 PolarHBondContact O-N 2.71Å; C814-S817 PolarHBondContact O-OG 3.42Å; Q815-S817 VanDerWaalsContact C-N 3.28Å; Q815-S817 PolarHBondContact O-N 2.94Å |
| 818 | I | 62.4 | Low | 69.6 | Low | 16 Ų | 16 | 37.3 Ų | 37.3 | 8% | 0.082 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -84.8 | 129.5 | -171.9 | -54.9 | 177.3 | 0 | 0 | 0 | 110.2 | L744 C814 Y820 I822 L823 | L744-I818 HydrophobicContact CD2-CB 4.46Å; L744-I818 HydrophobicContact CD2-CD1 4.31Å; L744-I818 HydrophobicContact CD2-CG1 3.81Å; L744-I818 HydrophobicContact CD2-CG2 4.21Å; C814-I818 WeakPolarHBondContact O-CG1 3.34Å; I818-Y820 PolarHBondContact O-N 2.84Å; I818-I822 HydrophobicContact CG2-CB 4.07Å; I818-I822 HydrophobicContact CG2-CG2 4.01Å; I818-L823 HydrophobicContact CG2-CB 4.02Å |
| 819 | N | 67.8 | Low | 70 | Confident | 40 Ų | 40 | 36.9 Ų | 36.9 | 21% | 0.214 | 19% | 0.189 | C | C | . | . | trans | -61.2 | 134.5 | 173.7 | -170.5 | -28.6 | 0 | 0 | 0 | 110.7 | M528 N821 I822 L823 | M528-N819 PolarHBondContact O-ND2 2.96Å; N819-N821 PolarHBondContact O-N 3.17Å; N819-N821 VanDerWaalsContact O-N 3.12Å; N819-N821 PolarHBondContact OD1-N 3.45Å; N819-I822 HydrophobicContact CB-CD1 3.96Å; N819-I822 HydrophobicContact CB-CG1 4.32Å; N819-I822 WeakPolarHBondContact O-CB 3.49Å; N819-I822 PolarHBondContact O-N 3.11Å; N819-L823 PolarHBondContact O-N 3.25Å; N819-L823 VanDerWaalsContact O-N 3.11Å | ||
| 820 | Y | 68 | Low | 70.4 | Confident | 38 Ų | 38 | 36.9 Ų | 36.9 | 15% | 0.149 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -46.8 | -43.8 | -179.6 | 176.6 | -95.3 | 0 | 0 | 0 | 113.3 | I541 I818 I822 L823 N824 S894 L895 | I541-Y820 HydrophobicContact CG2-CD2 4.49Å; I541-Y820 HydrophobicContact CG2-CE2 4.03Å; I818-Y820 PolarHBondContact O-N 2.84Å; Y820-I822 VanDerWaalsContact C-N 3.32Å; Y820-I822 PolarHBondContact O-N 3.21Å; Y820-L823 PolarHBondContact O-N 2.88Å; Y820-N824 HydrophobicContact CE1-CB 4.35Å; Y820-N824 WeakPolarHBondContact O-CB 3.45Å; Y820-N824 PolarHBondContact O-N 3.17Å; Y820-S894 WeakPolarHBondContact CE2-OG 3.36Å; Y820-S894 VanDerWaalsContact CZ-OG 3.31Å; Y820-S894 VanDerWaalsContact OH-CB 3.24Å; Y820-S894 WeakPolarHBondContact OH-CB 3.46Å; Y820-S894 PolarHBondContact OH-OG 3.28Å; Y820-L895 HydrophobicContact CD2-CD2 4.08Å; Y820-L895 HydrophobicContact CD2-CG 4.16Å; Y820-L895 HydrophobicContact CE2-CD2 3.74Å; Y820-L895 HydrophobicContact CE2-CG 3.65Å |
| 821 | N | 68.5 | Low | 70.8 | Confident | 25 Ų | 25 | 36.8 Ų | 36.8 | 13% | 0.134 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -65.6 | -34.4 | -177 | -70.2 | -19.7 | 0 | 0 | 0 | 113.2 | Y767 N819 S825 | Y767-N821 HydrophobicContact CD2-CB 4Å; Y767-N821 HydrophobicContact CE2-CB 3.7Å; N819-N821 PolarHBondContact O-N 3.17Å; N819-N821 VanDerWaalsContact O-N 3.12Å; N819-N821 PolarHBondContact OD1-N 3.45Å; N821-S825 PolarHBondContact O-N 3.47Å; N821-S825 PolarHBondContact O-OG 3.23Å |
| 822 | I | 73.6 | Confident | 71.1 | Confident | 5 Ų | 5 | 32.4 Ų | 32.4 | 3% | 0.026 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -71.1 | -50.3 | 176.9 | -63.5 | 168.9 | 0 | 0 | 0 | 108.8 | I766 Y767 A770 I818 N819 Y820 N824 S825 L826 | I766-I822 HydrophobicContact CB-CD1 4.06Å; I766-I822 HydrophobicContact CG2-CD1 3.69Å; I766-I822 HydrophobicContact CG2-CG1 4.36Å; I766-I822 HydrophobicContact CG2-CG2 3.97Å; Y767-I822 HydrophobicContact CD2-CG1 4.29Å; A770-I822 HydrophobicContact CB-CG2 3.96Å; I818-I822 HydrophobicContact CG2-CB 4.07Å; I818-I822 HydrophobicContact CG2-CG2 4.01Å; N819-I822 HydrophobicContact CB-CD1 3.96Å; N819-I822 HydrophobicContact CB-CG1 4.32Å; N819-I822 WeakPolarHBondContact O-CB 3.49Å; N819-I822 PolarHBondContact O-N 3.11Å; Y820-I822 VanDerWaalsContact C-N 3.32Å; Y820-I822 PolarHBondContact O-N 3.21Å; I822-N824 VanDerWaalsContact C-N 3.31Å; I822-N824 PolarHBondContact O-N 3.37Å; I822-S825 PolarHBondContact O-N 3.34Å; I822-L826 HydrophobicContact CG2-CD1 4.09Å; I822-L826 WeakPolarHBondContact O-CG 3.38Å; I822-L826 PolarHBondContact O-N 3.11Å |
| 823 | L | 77.1 | Confident | 71.9 | Confident | 8 Ų | 8 | 27.1 Ų | 27.1 | 4% | 0.042 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -59.6 | -43.6 | 178.8 | -175.6 | 61 | 0 | 0 | 0 | 111.3 | V809 I818 N819 Y820 S825 L826 V827 L895 | V809-L823 HydrophobicContact CG1-CD1 3.82Å; I818-L823 HydrophobicContact CG2-CB 4.02Å; N819-L823 PolarHBondContact O-N 3.25Å; N819-L823 VanDerWaalsContact O-N 3.11Å; Y820-L823 PolarHBondContact O-N 2.88Å; L823-S825 PolarHBondContact O-N 3.41Å; L823-L826 PolarHBondContact O-N 3.41Å; L823-V827 HydrophobicContact CD1-CG2 3.91Å; L823-V827 HydrophobicContact CG-CG2 4.19Å; L823-V827 WeakPolarHBondContact O-CB 3.45Å; L823-V827 VanDerWaalsContact O-CG2 3.23Å; L823-V827 WeakPolarHBondContact O-CG2 3.31Å; L823-V827 PolarHBondContact O-N 3.11Å; L823-L895 HydrophobicContact CB-CD2 4.44Å; L823-L895 HydrophobicContact CD2-CD1 3.56Å; L823-L895 HydrophobicContact CD2-CD2 4.48Å; L823-L895 HydrophobicContact CG-CD1 4.04Å; L823-L895 HydrophobicContact CG-CD2 4.18Å |
| 824 | N | 79.5 | Confident | 72.9 | Confident | 12 Ų | 12 | 18.9 Ų | 18.9 | 6% | 0.064 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -59.4 | -46.8 | 178.4 | -175.5 | 31.5 | 0 | 0 | 0 | 112.6 | Y820 I822 S828 L895 H898 | Y820-N824 HydrophobicContact CE1-CB 4.35Å; Y820-N824 WeakPolarHBondContact O-CB 3.45Å; Y820-N824 PolarHBondContact O-N 3.17Å; I822-N824 VanDerWaalsContact C-N 3.31Å; I822-N824 PolarHBondContact O-N 3.37Å; N824-S828 WeakPolarHBondContact O-CB 3.28Å; N824-S828 PolarHBondContact O-N 2.94Å; N824-S828 VanDerWaalsContact O-N 3.07Å; N824-S828 PolarHBondContact O-OG 3.27Å; N824-L895 HydrophobicContact CB-CD2 3.61Å; N824-H898 PolarHBondContact ND2-CD2 3.37Å; N824-H898 VanDerWaalsContact ND2-CG 3.26Å; N824-H898 PolarHBondContact ND2-NE2 2.87Å; N824-H898 VanDerWaalsContact OD1-CB 3.24Å; N824-H898 WeakPolarHBondContact OD1-CB 3.41Å; N824-H898 PolarHBondContact OD1-CD2 2.89Å; N824-H898 VanDerWaalsContact OD1-CG 3.23Å |
| 825 | S | 77.7 | Confident | 74 | Confident | 13 Ų | 13 | 18.3 Ų | 18.3 | 9% | 0.091 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -60.3 | -49.2 | 177.3 | -59.1 | 0 | 0 | 0 | 0 | 110.4 | N774 N821 I822 L823 S828 S829 | N774-S825 PolarHBondContact OD1-O 3.31Å; N821-S825 PolarHBondContact O-N 3.47Å; N821-S825 PolarHBondContact O-OG 3.23Å; I822-S825 PolarHBondContact O-N 3.34Å; L823-S825 PolarHBondContact O-N 3.41Å; S825-S828 PolarHBondContact O-N 2.89Å; S825-S829 PolarHBondContact O-N 3.31Å; S825-S829 PolarHBondContact O-OG 3.09Å |
| 826 | L | 82.5 | Confident | 74.6 | Confident | 1 Ų | 1 | 17.9 Ų | 17.9 | 1% | 0.005 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -63.8 | -47 | -178.9 | -68 | 175.2 | 0 | 0 | 0 | 113 | F741 A770 F773 V809 I822 L823 S828 S829 F830 | F741-L826 HydrophobicContact CE2-CD2 4.17Å; F741-L826 HydrophobicContact CZ-CD2 3.85Å; A770-L826 HydrophobicContact CB-CD2 4.33Å; A770-L826 HydrophobicContact CB-CG 4.3Å; F773-L826 HydrophobicContact CB-CD2 4.39Å; F773-L826 HydrophobicContact CD1-CD2 3.62Å; F773-L826 HydrophobicContact CE1-CD2 4.04Å; F773-L826 HydrophobicContact CG-CD2 4.04Å; V809-L826 HydrophobicContact CG2-CB 4.3Å; V809-L826 HydrophobicContact CG2-CD1 3.98Å; I822-L826 HydrophobicContact CG2-CD1 4.09Å; I822-L826 WeakPolarHBondContact O-CG 3.38Å; I822-L826 PolarHBondContact O-N 3.11Å; L823-L826 PolarHBondContact O-N 3.41Å; L826-S828 VanDerWaalsContact C-N 3.31Å; L826-S828 PolarHBondContact O-N 3.33Å; L826-S829 VanDerWaalsContact O-CB 3.3Å; L826-S829 WeakPolarHBondContact O-CB 3.38Å; L826-S829 PolarHBondContact O-N 3.4Å; L826-S829 VanDerWaalsContact O-N 3.17Å; L826-F830 HydrophobicContact CB-CE2 4.3Å; L826-F830 WeakPolarHBondContact O-CD2 3.44Å; L826-F830 PolarHBondContact O-N 3.5Å |
| 827 | V | 82 | Confident | 74.9 | Confident | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -63 | -41 | -179.6 | 177.6 | 0 | 0 | 0 | 0 | 110.7 | V809 L823 S829 F830 L831 L872 F873 S899 | V809-V827 HydrophobicContact CG1-CG2 3.81Å; L823-V827 HydrophobicContact CD1-CG2 3.91Å; L823-V827 HydrophobicContact CG-CG2 4.19Å; L823-V827 WeakPolarHBondContact O-CB 3.45Å; L823-V827 VanDerWaalsContact O-CG2 3.23Å; L823-V827 WeakPolarHBondContact O-CG2 3.31Å; L823-V827 PolarHBondContact O-N 3.11Å; V827-S829 VanDerWaalsContact C-N 3.33Å; V827-S829 PolarHBondContact O-N 2.97Å; V827-F830 PolarHBondContact O-N 3.45Å; V827-L831 VanDerWaalsContact O-CB 3.31Å; V827-L831 WeakPolarHBondContact O-CB 3.5Å; V827-L831 PolarHBondContact O-N 2.99Å; V827-L872 HydrophobicContact CG2-CD1 3.87Å; V827-F873 HydrophobicContact CG1-CE2 4.28Å; V827-F873 HydrophobicContact CG1-CZ 3.88Å; V827-S899 WeakPolarHBondContact CG1-OG 3.47Å |
| 828 | S | 82.9 | Confident | 74.8 | Confident | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -60.8 | -43 | 174.3 | -59.7 | 0 | 0 | 0 | 0 | 111.7 | N824 S825 L826 L831 F832 H898 | N824-S828 WeakPolarHBondContact O-CB 3.28Å; N824-S828 PolarHBondContact O-N 2.94Å; N824-S828 VanDerWaalsContact O-N 3.07Å; N824-S828 PolarHBondContact O-OG 3.27Å; S825-S828 PolarHBondContact O-N 2.89Å; L826-S828 VanDerWaalsContact C-N 3.31Å; L826-S828 PolarHBondContact O-N 3.33Å; S828-L831 PolarHBondContact O-N 3.41Å; S828-F832 WeakPolarHBondContact O-CB 3.34Å; S828-F832 PolarHBondContact O-N 2.99Å; S828-H898 PolarHBondContact OG-CD2 3.33Å |
| 829 | S | 82.4 | Confident | 74.1 | Confident | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -59.1 | -50.1 | 176.6 | -45.1 | 0 | 0 | 0 | 0 | 111.9 | N774 S825 L826 V827 Y833 | N774-S829 WeakPolarHBondContact CA-OG 3.29Å; N774-S829 VanDerWaalsContact CB-OG 3.31Å; N774-S829 WeakPolarHBondContact CB-OG 3.2Å; N774-S829 PolarHBondContact OD1-N 3.39Å; N774-S829 PolarHBondContact OD1-OG 3.22Å; S825-S829 PolarHBondContact O-N 3.31Å; S825-S829 PolarHBondContact O-OG 3.09Å; L826-S829 VanDerWaalsContact O-CB 3.3Å; L826-S829 WeakPolarHBondContact O-CB 3.38Å; L826-S829 PolarHBondContact O-N 3.4Å; L826-S829 VanDerWaalsContact O-N 3.17Å; V827-S829 VanDerWaalsContact C-N 3.33Å; V827-S829 PolarHBondContact O-N 2.97Å; S829-Y833 VanDerWaalsContact O-CB 3.27Å; S829-Y833 WeakPolarHBondContact O-CB 3.45Å; S829-Y833 PolarHBondContact O-N 3.43Å |
| 830 | F | 84.2 | Confident | 73 | Confident | 1 Ų | 1 | 24 Ų | 24 | 0% | 0.004 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -64.8 | -44.9 | -178.9 | -73.5 | -60.4 | 0 | 0 | 0 | 111.3 | F773 F802 I805 F806 V809 L826 V827 Y833 L834 L868 | F773-F830 HydrophobicContact CE1-CE1 4.26Å; F773-F830 HydrophobicContact CE1-CE2 4.34Å; F773-F830 HydrophobicContact CE1-CZ 4.08Å; F773-F830 AromaticContact CZ-CE1 3.92Å; F773-F830 HydrophobicContact CZ-CE1 3.92Å; F773-F830 AromaticContact CZ-CZ 3.85Å; F773-F830 HydrophobicContact CZ-CZ 3.85Å; F802-F830 HydrophobicContact CD2-CE1 4.13Å; F802-F830 HydrophobicContact CE1-CD1 4.27Å; F802-F830 HydrophobicContact CE1-CE1 4.01Å; F802-F830 AromaticContact CE2-CD1 3.95Å; F802-F830 HydrophobicContact CE2-CD1 3.95Å; F802-F830 AromaticContact CE2-CE1 3.5Å; F802-F830 HydrophobicContact CE2-CE1 3.5Å; F802-F830 AromaticContact CZ-CD1 3.56Å; F802-F830 HydrophobicContact CZ-CD1 3.56Å; F802-F830 AromaticContact CZ-CE1 3.44Å; F802-F830 HydrophobicContact CZ-CE1 3.44Å; F802-F830 VanDerWaalsContact CZ-CE1 3.44Å; I805-F830 HydrophobicContact CB-CZ 4.44Å; I805-F830 HydrophobicContact CG2-CE2 4.38Å; I805-F830 HydrophobicContact CG2-CZ 3.93Å; F806-F830 HydrophobicContact CB-CE1 4.07Å; F806-F830 HydrophobicContact CB-CZ 4.08Å; F806-F830 AromaticContact CD2-CD1 3.85Å; F806-F830 HydrophobicContact CD2-CD1 3.85Å; F806-F830 HydrophobicContact CD2-CD2 4.45Å; F806-F830 HydrophobicContact CD2-CE1 4.08Å; F806-F830 HydrophobicContact CD2-CG 4.06Å; F806-F830 HydrophobicContact CD2-CZ 4.5Å; V809-F830 HydrophobicContact CG2-CE2 4.11Å; L826-F830 HydrophobicContact CB-CE2 4.3Å; L826-F830 WeakPolarHBondContact O-CD2 3.44Å; L826-F830 PolarHBondContact O-N 3.5Å; V827-F830 PolarHBondContact O-N 3.45Å; F830-Y833 PolarHBondContact O-N 2.88Å; F830-L834 HydrophobicContact CB-CD1 4.49Å; F830-L834 VanDerWaalsContact O-CB 3.22Å; F830-L834 WeakPolarHBondContact O-CB 3.43Å; F830-L834 WeakPolarHBondContact O-CD1 3.14Å; F830-L834 WeakPolarHBondContact O-CG 3.46Å; F830-L834 PolarHBondContact O-N 3.24Å; F830-L868 HydrophobicContact CB-CD1 3.71Å |
| 831 | L | 81.9 | Confident | 71.8 | Confident | 4 Ų | 4 | 26.2 Ų | 26.2 | 2% | 0.021 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -64.4 | -43.2 | -179.3 | -173.7 | 143.9 | 0 | 0 | 0 | 111.7 | V827 S828 T835 L903 | V827-L831 VanDerWaalsContact O-CB 3.31Å; V827-L831 WeakPolarHBondContact O-CB 3.5Å; V827-L831 PolarHBondContact O-N 2.99Å; S828-L831 PolarHBondContact O-N 3.41Å; L831-T835 WeakPolarHBondContact O-CB 3.45Å; L831-T835 WeakPolarHBondContact O-CG2 3.32Å; L831-T835 PolarHBondContact O-N 3Å; L831-T835 PolarHBondContact O-OG1 2.66Å; L831-L903 HydrophobicContact CD2-CD1 3.57Å; L831-L903 HydrophobicContact CD2-CD2 3.91Å; L831-L903 HydrophobicContact CD2-CG 3.73Å |
| 832 | F | 78.7 | Confident | 70.6 | Confident | 21 Ų | 21 | 28.4 Ų | 28.4 | 9% | 0.092 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -67.4 | -42.6 | 176.3 | -171 | -83.7 | 0 | 0 | 0 | 112.5 | F777 T778 R785 S828 T835 S836 L903 A906 | F777-F832 WeakPolarHBondContact O-CD1 3.43Å; T778-F832 HydrophobicContact CG2-CB 3.91Å; T778-F832 HydrophobicContact CG2-CD1 4.29Å; T778-F832 HydrophobicContact CG2-CG 4.08Å; R785-F832 VanDerWaalsContact NH2-CD1 3.34Å; S828-F832 WeakPolarHBondContact O-CB 3.34Å; S828-F832 PolarHBondContact O-N 2.99Å; F832-T835 PolarHBondContact O-N 3.48Å; F832-T835 PolarHBondContact O-OG1 3.1Å; F832-T835 VanDerWaalsContact O-OG1 3.11Å; F832-S836 PolarHBondContact O-N 3.39Å; F832-S836 VanDerWaalsContact O-N 3.16Å; F832-L903 HydrophobicContact CD2-CD2 3.91Å; F832-A906 HydrophobicContact CD2-CB 4.44Å; F832-A906 HydrophobicContact CE2-CB 3.84Å |
| 833 | Y | 79.6 | Confident | 69.1 | Low | 4 Ų | 4 | 33.3 Ų | 33.3 | 2% | 0.016 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -70.3 | -38.9 | -179 | -171.1 | -105.2 | 0 | 0 | 0 | 113.4 | F777 R785 P786 S788 I791 F792 F802 S829 F830 T835 S836 | F777-Y833 AromaticContact CD1-CD1 3.93Å; F777-Y833 HydrophobicContact CD1-CD1 3.93Å; F777-Y833 AromaticContact CD1-CD2 3.51Å; F777-Y833 HydrophobicContact CD1-CD2 3.51Å; F777-Y833 HydrophobicContact CD1-CE1 4.38Å; F777-Y833 HydrophobicContact CD1-CE2 4.01Å; F777-Y833 AromaticContact CD1-CG 3.49Å; F777-Y833 HydrophobicContact CD1-CG 3.49Å; F777-Y833 VanDerWaalsContact CD1-CG 3.49Å; F777-Y833 HydrophobicContact CE1-CD1 4.08Å; F777-Y833 HydrophobicContact CE1-CD2 4.18Å; F777-Y833 HydrophobicContact CE1-CE1 4.18Å; F777-Y833 HydrophobicContact CE1-CE2 4.28Å; F777-Y833 HydrophobicContact CE1-CG 4.1Å; R785-Y833 HydrophobicContact CG-CE2 4.34Å; P786-Y833 HydrophobicContact CG-CE2 3.99Å; P786-Y833 WeakPolarHBondContact O-CE2 3.45Å; P786-Y833 PolarHBondContact O-OH 3.02Å; S788-Y833 PolarHBondContact N-OH 3.12Å; I791-Y833 HydrophobicContact CD1-CE1 3.8Å; I791-Y833 HydrophobicContact CD1-CE2 4.24Å; I791-Y833 VanDerWaalsContact CD1-CZ 3.48Å; I791-Y833 WeakPolarHBondContact CD1-OH 3.46Å; I791-Y833 HydrophobicContact CG2-CE1 4.28Å; F792-Y833 HydrophobicContact CE2-CD1 4.32Å; F792-Y833 AromaticContact CE2-CE1 3.54Å; F792-Y833 HydrophobicContact CE2-CE1 3.54Å; F792-Y833 AromaticContact CZ-CD1 3.99Å; F792-Y833 HydrophobicContact CZ-CD1 3.99Å; F792-Y833 AromaticContact CZ-CE1 3.54Å; F792-Y833 HydrophobicContact CZ-CE1 3.54Å; F802-Y833 HydrophobicContact CZ-CD1 4.33Å; S829-Y833 VanDerWaalsContact O-CB 3.27Å; S829-Y833 WeakPolarHBondContact O-CB 3.45Å; S829-Y833 PolarHBondContact O-N 3.43Å; F830-Y833 PolarHBondContact O-N 2.88Å; Y833-T835 PolarHBondContact O-N 3.22Å; Y833-S836 PolarHBondContact O-OG 3.41Å |
| 834 | L | 79.9 | Confident | 67.4 | Low | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -72.7 | -11.9 | 177.1 | -66.4 | 171.5 | 0 | 0 | 0 | 113 | F792 F806 F830 R861 L864 L865 | F792-L834 HydrophobicContact CE1-CD2 4.25Å; F792-L834 HydrophobicContact CZ-CD2 3.88Å; F806-L834 HydrophobicContact CE2-CD1 4Å; F830-L834 HydrophobicContact CB-CD1 4.49Å; F830-L834 VanDerWaalsContact O-CB 3.22Å; F830-L834 WeakPolarHBondContact O-CB 3.43Å; F830-L834 WeakPolarHBondContact O-CD1 3.14Å; F830-L834 WeakPolarHBondContact O-CG 3.46Å; F830-L834 PolarHBondContact O-N 3.24Å; L834-R861 HydrophobicContact CB-CG 4.17Å; L834-R861 HydrophobicContact CD2-CG 3.92Å; L834-R861 WeakPolarHBondContact O-CD 3.46Å; L834-R861 WeakPolarHBondContact O-CG 3.34Å; L834-R861 PolarHBondContact O-NE 3.42Å; L834-L864 HydrophobicContact CD1-CB 4.01Å; L834-L864 HydrophobicContact CD2-CB 3.82Å; L834-L864 HydrophobicContact CD2-CD1 4.06Å; L834-L865 HydrophobicContact CB-CB 4.31Å; L834-L865 HydrophobicContact CB-CD1 4.24Å; L834-L865 HydrophobicContact CD1-CB 4.49Å |
| 835 | T | 74.7 | Confident | 65.4 | Low | 1 Ų | 1 | 40.7 Ų | 40.7 | 1% | 0.006 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -105.9 | -22 | -178.3 | 56 | 0 | 0 | 0 | 0 | 112.8 | L831 F832 Y833 E837 L865 T910 L913 V914 | L831-T835 WeakPolarHBondContact O-CB 3.45Å; L831-T835 WeakPolarHBondContact O-CG2 3.32Å; L831-T835 PolarHBondContact O-N 3Å; L831-T835 PolarHBondContact O-OG1 2.66Å; F832-T835 PolarHBondContact O-N 3.48Å; F832-T835 PolarHBondContact O-OG1 3.1Å; F832-T835 VanDerWaalsContact O-OG1 3.11Å; Y833-T835 PolarHBondContact O-N 3.22Å; T835-E837 PolarHBondContact O-N 3.44Å; T835-L865 HydrophobicContact CG2-CD1 4.04Å; T835-L865 HydrophobicContact CG2-CD2 4.05Å; T835-T910 WeakPolarHBondContact O-CG2 3.35Å; T835-L913 HydrophobicContact CG2-CD2 4.12Å; T835-V914 HydrophobicContact CG2-CG2 3.23Å |
| 836 | S | 70.5 | Confident | 63.7 | Low | 9 Ų | 9 | 47.3 Ų | 47.3 | 6% | 0.063 | 26% | 0.256 | C | S | . | . | trans | -65.6 | 125 | 177.7 | 56 | 0 | 0 | 0 | 0 | 113.2 | R785 F832 Y833 R861 | R785-S836 PolarHBondContact NH1-OG 3.46Å; R785-S836 PolarHBondContact NH2-OG 2.92Å; F832-S836 PolarHBondContact O-N 3.39Å; F832-S836 VanDerWaalsContact O-N 3.16Å; Y833-S836 PolarHBondContact O-OG 3.41Å; S836-R861 VanDerWaalsContact C-NH1 3.27Å; S836-R861 PolarHBondContact O-NH1 3.16Å | ||
| 837 | E | 62.7 | Low | 61.7 | Low | 97 Ų | 97 | 56.3 Ų | 56.3 | 45% | 0.453 | 29% | 0.292 | S | S | . | . | trans | -70.7 | 132.6 | 168.7 | -67 | 172.1 | 158.8 | 0 | 0 | 110.2 | T835 E839 S909 | T835-E837 PolarHBondContact O-N 3.44Å; E837-E839 PolarHBondContact O-N 2.78Å; E837-S909 PolarHBondContact OE2-OG 3.33Å | ||
| 838 | N | 54 | Low | 60.1 | Low | 86 Ų | 86 | 64 Ų | 64 | 46% | 0.46 | 33% | 0.333 | S | S | . | . | trans | -76.3 | 112.2 | 170.2 | -58.7 | -46.2 | 0 | 0 | 0 | 107.7 | S788 S840 | S788-N838 WeakPolarHBondContact CB-ND2 3.35Å; S788-N838 PolarHBondContact OG-ND2 2.76Å; N838-S840 PolarHBondContact O-N 3.47Å | ||
| 839 | E | 48.3 | Very low | 58.5 | Low | 100 Ų | 100 | 70.2 Ų | 70.2 | 47% | 0.467 | 37% | 0.366 | S | S | . | . | trans | -67.6 | 116.9 | 152.5 | -77.5 | 177.2 | -149 | 0 | 0 | 105.4 | R782 E837 I841 K907 | R782-E839 IonicContact CZ-OE1 3.79Å; R782-E839 IonicContact CZ-OE2 3.44Å; R782-E839 IonicContact NH1-OE2 2.84Å; R782-E839 PolarHBondContact NH1-OE2 3.4Å; R782-E839 VanDerWaalsContact NH2-CD 3.27Å; R782-E839 IonicContact NH2-OE1 3.16Å; R782-E839 PolarHBondContact NH2-OE1 3.43Å; R782-E839 IonicContact NH2-OE2 3.83Å; R782-E839 PolarHBondContact NH2-OE2 2.92Å; E837-E839 PolarHBondContact O-N 2.78Å; E839-I841 PolarHBondContact O-N 3.47Å; E839-K907 IonicContact OE1-NZ 2.68Å; E839-K907 PolarHBondContact OE1-NZ 3.01Å | ||
| 840 | S | 44.8 | Very low | 57.1 | Low | 78 Ų | 78 | 72.5 Ų | 72.5 | 55% | 0.545 | 38% | 0.38 | S | S | . | . | trans | -48.2 | 114.5 | 177.1 | 50 | 0 | 0 | 0 | 0 | 109.2 | N838 S842 | N838-S840 PolarHBondContact O-N 3.47Å; S840-S842 VanDerWaalsContact C-N 3.32Å; S840-S842 PolarHBondContact O-N 2.97Å | ||
| 841 | I | 42.9 | Very low | 55.8 | Low | 85 Ų | 85 | 77.6 Ų | 77.6 | 44% | 0.436 | 41% | 0.407 | S | S | . | . | trans | -63.5 | 102.9 | 164.6 | -58.7 | 169 | 0 | 0 | 0 | 104.3 | E839 H843 L844 | E839-I841 PolarHBondContact O-N 3.47Å; I841-H843 PolarHBondContact O-N 3.07Å; I841-L844 PolarHBondContact O-N 3.47Å | ||
| 842 | S | 43.6 | Very low | 54.6 | Low | 71 Ų | 71 | 83 Ų | 83 | 50% | 0.497 | 44% | 0.436 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | -14.9 | -168.9 | 40.8 | 0 | 0 | 0 | 0 | 114.5 | S840 | S840-S842 VanDerWaalsContact C-N 3.32Å; S840-S842 PolarHBondContact O-N 2.97Å |
| 843 | H | 40.3 | Very low | 53.8 | Low | 108 Ų | 108 | 88.2 Ų | 88.2 | 50% | 0.5 | 46% | 0.461 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.3 | -5.5 | -168.9 | -61.1 | -63.3 | 0 | 0 | 0 | 115.7 | D710 I841 | D710-H843 IonicContact OD1-CD2 3.14Å; D710-H843 IonicContact OD1-CG 3.78Å; D710-H843 IonicContact OD2-CD2 2.69Å; D710-H843 PolarHBondContact OD2-CD2 3.32Å; D710-H843 IonicContact OD2-CG 3.03Å; D710-H843 IonicContact OD2-NE2 3.03Å; D710-H843 PolarHBondContact OD2-NE2 3.48Å; I841-H843 PolarHBondContact O-N 3.07Å |
| 844 | L | 42.1 | Very low | 53 | Low | 127 Ų | 127 | 92.4 Ų | 92.4 | 67% | 0.665 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.8 | -14.7 | 170.6 | -83.7 | 155.9 | 0 | 0 | 0 | 113.1 | I841 | I841-L844 PolarHBondContact O-N 3.47Š|
| 845 | S | 38 | Very low | 52.4 | Low | 48 Ų | 48 | 97.2 Ų | 97.2 | 34% | 0.336 | 51% | 0.506 | S | S | . | . | trans | -110.7 | 71.4 | -176.9 | 62.5 | 0 | 0 | 0 | 0 | 112.1 | Y847 | S845-Y847 PolarHBondContact O-N 2.88Š| ||
| 846 | N | 41.1 | Very low | 52.2 | Low | 153 Ų | 153 | 103.8 Ų | 103.8 | 82% | 0.818 | 54% | 0.535 | S | S | * | . | trans | -82 | 18.5 | 162 | -95.5 | -6.4 | 0 | 0 | 0 | 112.7 | ||||
| 847 | Y | 40.9 | Very low | 52.1 | Low | 190 Ų | 190 | 105 Ų | 105 | 75% | 0.745 | 54% | 0.54 | S | S | * | . | trans | -102.2 | 114.8 | 177.4 | -84.4 | -80.9 | 0 | 0 | 0 | 110.6 | S845 N849 T850 | S845-Y847 PolarHBondContact O-N 2.88Å; Y847-N849 PolarHBondContact O-N 3.42Å; Y847-T850 WeakPolarHBondContact O-CG2 3.19Å | ||
| 848 | N | 48.5 | Very low | 52.5 | Low | 162 Ų | 162 | 103.1 Ų | 103.1 | 87% | 0.866 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | 18.2 | 178.7 | -71.8 | -21 | 0 | 0 | 0 | 115.3 | ||
| 849 | N | 49.9 | Very low | 53.5 | Low | 130 Ų | 130 | 102.3 Ų | 102.3 | 70% | 0.695 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.6 | 31 | 177.9 | -74.1 | -5.6 | 0 | 0 | 0 | 112.2 | Y847 D851 | Y847-N849 PolarHBondContact O-N 3.42Å; N849-D851 VanDerWaalsContact C-N 3.32Å; N849-D851 PolarHBondContact O-N 3.4Å |
| 850 | T | 52.5 | Low | 54.8 | Low | 48 Ų | 48 | 99 Ų | 99 | 29% | 0.294 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -60.3 | -35.2 | -171.7 | 47.6 | 0 | 0 | 0 | 0 | 114.6 | Y847 D852 E853 Q854 | Y847-T850 WeakPolarHBondContact O-CG2 3.19Å; T850-D852 PolarHBondContact O-N 2.89Å; T850-E853 PolarHBondContact O-N 3.25Å; T850-Q854 WeakPolarHBondContact O-CB 3.33Å; T850-Q854 VanDerWaalsContact O-CG 3.29Å; T850-Q854 WeakPolarHBondContact O-CG 3.43Å; T850-Q854 PolarHBondContact O-N 3.43Å |
| 851 | D | 56.4 | Low | 56.3 | Low | 108 Ų | 108 | 96.4 Ų | 96.4 | 58% | 0.578 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -69.9 | -40.9 | -167.3 | -64.4 | -4.2 | 0 | 0 | 0 | 111.9 | N849 N855 | N849-D851 VanDerWaalsContact C-N 3.32Å; N849-D851 PolarHBondContact O-N 3.4Å; D851-N855 VanDerWaalsContact O-CB 3.28Å; D851-N855 WeakPolarHBondContact O-CB 3.39Å; D851-N855 PolarHBondContact O-N 2.8Å; D851-N855 PolarHBondContact O-ND2 3.33Å |
| 852 | D | 58.3 | Low | 57.9 | Low | 118 Ų | 118 | 94.7 Ų | 94.7 | 63% | 0.631 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -68.7 | -37.7 | 178.8 | -83.6 | -13.9 | 0 | 0 | 0 | 112.4 | T850 K856 | T850-D852 PolarHBondContact O-N 2.89Å; D852-K856 WeakPolarHBondContact O-CG 2.92Å; D852-K856 PolarHBondContact O-N 2.96Å; D852-K856 VanDerWaalsContact O-N 3.08Å |
| 853 | E | 61 | Low | 59.7 | Low | 130 Ų | 130 | 94.3 Ų | 94.3 | 61% | 0.607 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -70.9 | -45.3 | 175.3 | -72.6 | -154.3 | 155.6 | 0 | 0 | 111.6 | T850 N855 K856 L857 | T850-E853 PolarHBondContact O-N 3.25Å; E853-N855 VanDerWaalsContact C-N 3.26Å; E853-N855 PolarHBondContact O-N 3.39Å; E853-K856 WeakPolarHBondContact O-CB 3.42Å; E853-K856 PolarHBondContact O-N 3.48Å; E853-L857 HydrophobicContact CB-CD1 4.34Å; E853-L857 WeakPolarHBondContact O-CD1 3.48Å; E853-L857 PolarHBondContact O-N 3.48Å |
| 854 | Q | 62.8 | Low | 61.7 | Low | 92 Ų | 92 | 89.5 Ų | 89.5 | 43% | 0.43 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -59 | -39.4 | 176.2 | -75.4 | -177.9 | 1.1 | 0 | 0 | 111.9 | T850 L857 T858 | T850-Q854 WeakPolarHBondContact O-CB 3.33Å; T850-Q854 VanDerWaalsContact O-CG 3.29Å; T850-Q854 WeakPolarHBondContact O-CG 3.43Å; T850-Q854 PolarHBondContact O-N 3.43Å; Q854-L857 PolarHBondContact O-N 2.93Å; Q854-T858 WeakPolarHBondContact O-CB 3.44Å; Q854-T858 WeakPolarHBondContact O-CG2 3.22Å; Q854-T858 PolarHBondContact O-N 3.31Å; Q854-T858 PolarHBondContact O-OG1 2.95Å |
| 855 | N | 66.7 | Low | 63.6 | Low | 100 Ų | 100 | 83.5 Ų | 83.5 | 54% | 0.535 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -64.6 | -40 | 174.4 | -72.9 | -25.4 | 0 | 0 | 0 | 112.3 | D851 E853 T858 S859 | D851-N855 VanDerWaalsContact O-CB 3.28Å; D851-N855 WeakPolarHBondContact O-CB 3.39Å; D851-N855 PolarHBondContact O-N 2.8Å; D851-N855 PolarHBondContact O-ND2 3.33Å; E853-N855 VanDerWaalsContact C-N 3.26Å; E853-N855 PolarHBondContact O-N 3.39Å; N855-T858 WeakPolarHBondContact CA-OG1 3.3Å; N855-T858 PolarHBondContact O-OG1 2.75Å; N855-S859 WeakPolarHBondContact O-CB 3.07Å; N855-S859 PolarHBondContact O-N 2.96Å; N855-S859 PolarHBondContact O-OG 3.2Å |
| 856 | K | 70.6 | Confident | 65.7 | Low | 139 Ų | 139 | 84.4 Ų | 84.4 | 60% | 0.604 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -63.9 | -46.8 | 173.1 | -75.3 | 173 | -176.4 | 172.4 | 0 | 111.7 | D852 E853 T858 S859 I860 | D852-K856 WeakPolarHBondContact O-CG 2.92Å; D852-K856 PolarHBondContact O-N 2.96Å; D852-K856 VanDerWaalsContact O-N 3.08Å; E853-K856 WeakPolarHBondContact O-CB 3.42Å; E853-K856 PolarHBondContact O-N 3.48Å; K856-T858 PolarHBondContact O-N 2.96Å; K856-S859 PolarHBondContact O-N 3.26Å; K856-S859 PolarHBondContact O-OG 3.38Å; K856-I860 WeakPolarHBondContact O-CG1 3.38Å; K856-I860 PolarHBondContact O-N 3.46Å |
| 857 | L | 68.9 | Low | 67.7 | Low | 34 Ų | 34 | 80 Ų | 80 | 18% | 0.178 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -60.2 | -45.4 | 179.1 | -87 | 123.8 | 0 | 0 | 0 | 112.3 | S788 F792 E853 Q854 S859 I860 R861 | S788-L857 WeakPolarHBondContact O-CD2 3.44Å; F792-L857 HydrophobicContact CB-CD2 3.95Å; F792-L857 HydrophobicContact CD2-CD2 4.24Å; E853-L857 HydrophobicContact CB-CD1 4.34Å; E853-L857 WeakPolarHBondContact O-CD1 3.48Å; E853-L857 PolarHBondContact O-N 3.48Å; Q854-L857 PolarHBondContact O-N 2.93Å; L857-S859 VanDerWaalsContact C-N 3.35Å; L857-I860 PolarHBondContact O-N 3.19Å; L857-R861 WeakPolarHBondContact O-CB 3.3Å; L857-R861 PolarHBondContact O-N 2.7Å |
| 858 | T | 71.2 | Confident | 69.7 | Low | 59 Ų | 59 | 71 Ų | 71 | 36% | 0.362 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -64.2 | -39.9 | 176.4 | 50 | 0 | 0 | 0 | 0 | 111.5 | Q854 N855 K856 I860 R861 D862 | Q854-T858 WeakPolarHBondContact O-CB 3.44Å; Q854-T858 WeakPolarHBondContact O-CG2 3.22Å; Q854-T858 PolarHBondContact O-N 3.31Å; Q854-T858 PolarHBondContact O-OG1 2.95Å; N855-T858 WeakPolarHBondContact CA-OG1 3.3Å; N855-T858 PolarHBondContact O-OG1 2.75Å; K856-T858 PolarHBondContact O-N 2.96Å; T858-I860 PolarHBondContact O-N 2.92Å; T858-R861 PolarHBondContact O-N 3.37Å; T858-D862 WeakPolarHBondContact O-CB 3.33Å; T858-D862 PolarHBondContact O-N 3.48Å |
| 859 | S | 75.9 | Confident | 71.2 | Confident | 69 Ų | 69 | 63.5 Ų | 63.5 | 48% | 0.483 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -62.8 | -41.5 | 176.1 | 78.6 | 0 | 0 | 0 | 0 | 113.2 | N855 K856 L857 D862 S863 | N855-S859 WeakPolarHBondContact O-CB 3.07Å; N855-S859 PolarHBondContact O-N 2.96Å; N855-S859 PolarHBondContact O-OG 3.2Å; K856-S859 PolarHBondContact O-N 3.26Å; K856-S859 PolarHBondContact O-OG 3.38Å; L857-S859 VanDerWaalsContact C-N 3.35Å; S859-D862 PolarHBondContact O-N 3.06Å; S859-S863 WeakPolarHBondContact O-CB 3.44Å; S859-S863 PolarHBondContact O-N 3.01Å |
| 860 | I | 75.7 | Confident | 72.7 | Confident | 31 Ų | 31 | 60.7 Ų | 60.7 | 16% | 0.159 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -64.1 | -47.3 | 177.1 | -67.6 | 164.9 | 0 | 0 | 0 | 109.4 | F792 V794 F799 K856 L857 T858 D862 S863 L864 | F792-I860 HydrophobicContact CD1-CG2 4.01Å; V794-I860 HydrophobicContact CG2-CD1 3.65Å; F799-I860 HydrophobicContact CE2-CG2 4.19Å; F799-I860 HydrophobicContact CZ-CG2 4.38Å; K856-I860 WeakPolarHBondContact O-CG1 3.38Å; K856-I860 PolarHBondContact O-N 3.46Å; L857-I860 PolarHBondContact O-N 3.19Å; T858-I860 PolarHBondContact O-N 2.92Å; I860-D862 PolarHBondContact O-N 3.16Å; I860-S863 PolarHBondContact O-N 3.39Å; I860-S863 PolarHBondContact O-OG 2.73Å; I860-L864 HydrophobicContact CG2-CD1 4.13Å; I860-L864 WeakPolarHBondContact O-CG 3.4Å; I860-L864 PolarHBondContact O-N 3.3Å |
| 861 | R | 76 | Confident | 74 | Confident | 23 Ų | 23 | 62.5 Ų | 62.5 | 9% | 0.087 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -58.8 | -46.6 | 179.6 | -169.5 | -173.2 | 71.4 | 164.2 | -0 | 111.8 | L834 S836 L857 T858 S863 L864 L865 | L834-R861 HydrophobicContact CB-CG 4.17Å; L834-R861 HydrophobicContact CD2-CG 3.92Å; L834-R861 WeakPolarHBondContact O-CD 3.46Å; L834-R861 WeakPolarHBondContact O-CG 3.34Å; L834-R861 PolarHBondContact O-NE 3.42Å; S836-R861 VanDerWaalsContact C-NH1 3.27Å; S836-R861 PolarHBondContact O-NH1 3.16Å; L857-R861 WeakPolarHBondContact O-CB 3.3Å; L857-R861 PolarHBondContact O-N 2.7Å; T858-R861 PolarHBondContact O-N 3.37Å; R861-S863 VanDerWaalsContact C-N 3.31Å; R861-S863 PolarHBondContact O-N 3.45Å; R861-L864 PolarHBondContact O-N 3.49Å; R861-L865 WeakPolarHBondContact O-CB 3.37Å; R861-L865 PolarHBondContact O-N 3.29Å |
| 862 | D | 76.2 | Confident | 75 | Confident | 48 Ų | 48 | 57.3 Ų | 57.3 | 26% | 0.257 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -66.4 | -34.5 | 178.6 | -76.8 | 6 | 0 | 0 | 0 | 112.1 | T858 S859 I860 N866 | T858-D862 WeakPolarHBondContact O-CB 3.33Å; T858-D862 PolarHBondContact O-N 3.48Å; S859-D862 PolarHBondContact O-N 3.06Å; I860-D862 PolarHBondContact O-N 3.16Å; D862-N866 VanDerWaalsContact O-CB 3.32Å; D862-N866 WeakPolarHBondContact O-CB 3.43Å; D862-N866 PolarHBondContact O-N 3.12Å; D862-N866 PolarHBondContact O-ND2 3.49Å |
| 863 | S | 80.7 | Confident | 76.1 | Confident | 63 Ų | 63 | 51.7 Ų | 51.7 | 44% | 0.441 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -65.9 | -43.1 | 174.7 | 80.1 | 0 | 0 | 0 | 0 | 112.1 | S859 I860 R861 N866 R867 | S859-S863 WeakPolarHBondContact O-CB 3.44Å; S859-S863 PolarHBondContact O-N 3.01Å; I860-S863 PolarHBondContact O-N 3.39Å; I860-S863 PolarHBondContact O-OG 2.73Å; R861-S863 VanDerWaalsContact C-N 3.31Å; R861-S863 PolarHBondContact O-N 3.45Å; S863-N866 PolarHBondContact O-N 3.17Å; S863-R867 WeakPolarHBondContact O-CB 3.29Å; S863-R867 PolarHBondContact O-N 3.33Å |
| 864 | L | 82 | Confident | 77 | Confident | 7 Ų | 7 | 47.8 Ų | 47.8 | 4% | 0.037 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -68.3 | -40.9 | 177.2 | -70.7 | 175.2 | 0 | 0 | 0 | 111.3 | F792 F802 F806 L834 I860 R861 R867 L868 | F792-L864 HydrophobicContact CD1-CD1 4.28Å; F792-L864 HydrophobicContact CE1-CD1 3.7Å; F802-L864 HydrophobicContact CE1-CD1 4.4Å; F806-L864 HydrophobicContact CD1-CD2 4.46Å; F806-L864 HydrophobicContact CE1-CD2 4.33Å; F806-L864 HydrophobicContact CZ-CB 4.5Å; F806-L864 HydrophobicContact CZ-CD2 4.48Å; F806-L864 VanDerWaalsContact CZ-O 3.28Å; F806-L864 WeakPolarHBondContact CZ-O 3.43Å; L834-L864 HydrophobicContact CD1-CB 4.01Å; L834-L864 HydrophobicContact CD2-CB 3.82Å; L834-L864 HydrophobicContact CD2-CD1 4.06Å; I860-L864 HydrophobicContact CG2-CD1 4.13Å; I860-L864 WeakPolarHBondContact O-CG 3.4Å; I860-L864 PolarHBondContact O-N 3.3Å; R861-L864 PolarHBondContact O-N 3.49Å; L864-R867 WeakPolarHBondContact O-CB 3.28Å; L864-R867 PolarHBondContact O-N 3.48Å; L864-L868 PolarHBondContact O-N 3.31Å |
| 865 | L | 82.9 | Confident | 77.7 | Confident | 1 Ų | 1 | 45.3 Ų | 45.3 | 1% | 0.005 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -63.1 | -45.4 | 176 | -177.1 | 66.5 | 0 | 0 | 0 | 111.4 | L834 T835 R861 R867 L868 I869 L913 K917 | L834-L865 HydrophobicContact CB-CB 4.31Å; L834-L865 HydrophobicContact CB-CD1 4.24Å; L834-L865 HydrophobicContact CD1-CB 4.49Å; T835-L865 HydrophobicContact CG2-CD1 4.04Å; T835-L865 HydrophobicContact CG2-CD2 4.05Å; R861-L865 WeakPolarHBondContact O-CB 3.37Å; R861-L865 PolarHBondContact O-N 3.29Å; L865-R867 VanDerWaalsContact C-N 3.27Å; L865-R867 PolarHBondContact O-N 3.4Å; L865-L868 PolarHBondContact O-N 3.43Å; L865-I869 HydrophobicContact CD1-CD1 4.4Å; L865-I869 HydrophobicContact CG-CD1 4.24Å; L865-I869 WeakPolarHBondContact O-CG1 3.31Å; L865-I869 PolarHBondContact O-N 3.44Å; L865-I869 VanDerWaalsContact O-N 3.08Å; L865-L913 HydrophobicContact CD2-CD2 3.33Å; L865-K917 HydrophobicContact CD2-CG 4.12Å |
| 866 | N | 81.8 | Confident | 78.1 | Confident | 68 Ų | 68 | 40.9 Ų | 40.9 | 36% | 0.364 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -58 | -43.7 | 173.3 | -76.6 | -13.2 | 0 | 0 | 0 | 110.8 | D862 S863 I869 V870 K917 | D862-N866 VanDerWaalsContact O-CB 3.32Å; D862-N866 WeakPolarHBondContact O-CB 3.43Å; D862-N866 PolarHBondContact O-N 3.12Å; D862-N866 PolarHBondContact O-ND2 3.49Å; S863-N866 PolarHBondContact O-N 3.17Å; N866-I869 PolarHBondContact O-N 3.4Å; N866-V870 VanDerWaalsContact O-CB 3.27Å; N866-V870 WeakPolarHBondContact O-CB 3.41Å; N866-V870 VanDerWaalsContact O-CG2 3.22Å; N866-V870 WeakPolarHBondContact O-CG2 3.37Å; N866-V870 PolarHBondContact O-N 2.97Å; N866-K917 PolarHBondContact ND2-NZ 2.59Å; N866-K917 VanDerWaalsContact OD1-CD 3.27Å; N866-K917 WeakPolarHBondContact OD1-CD 3.5Å; N866-K917 WeakPolarHBondContact OD1-CE 3.46Å; N866-K917 PolarHBondContact OD1-NZ 3.41Å |
| 867 | R | 82.5 | Confident | 78.6 | Confident | 60 Ų | 60 | 34.3 Ų | 34.3 | 23% | 0.226 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -63.9 | -41.1 | 179.2 | -169.2 | 169.8 | 61.1 | 152.8 | 6.2 | 112 | N803 F806 D807 S863 L864 L865 V870 Q871 | N803-R867 PolarHBondContact OD1-NH2 3.31Å; F806-R867 HydrophobicContact CE1-CB 4.37Å; F806-R867 HydrophobicContact CE1-CG 4.19Å; F806-R867 VanDerWaalsContact CE1-CZ 3.49Å; F806-R867 HydrophobicContact CZ-CB 4.4Å; D807-R867 IonicContact OD1-CZ 3.15Å; D807-R867 IonicContact OD1-NH1 2.7Å; D807-R867 PolarHBondContact OD1-NH1 3.06Å; D807-R867 IonicContact OD1-NH2 3.1Å; D807-R867 PolarHBondContact OD1-NH2 3.45Å; D807-R867 VanDerWaalsContact OD1-NH2 3.1Å; S863-R867 WeakPolarHBondContact O-CB 3.29Å; S863-R867 PolarHBondContact O-N 3.33Å; L864-R867 WeakPolarHBondContact O-CB 3.28Å; L864-R867 PolarHBondContact O-N 3.48Å; L865-R867 VanDerWaalsContact C-N 3.27Å; L865-R867 PolarHBondContact O-N 3.4Å; R867-V870 PolarHBondContact O-N 3.05Å; R867-Q871 HydrophobicContact CG-CG 3.82Å; R867-Q871 WeakPolarHBondContact O-CB 3.35Å; R867-Q871 WeakPolarHBondContact O-CG 3.5Å; R867-Q871 PolarHBondContact O-N 3.28Å |
| 868 | L | 82.3 | Confident | 79.1 | Confident | 1 Ų | 1 | 34.5 Ų | 34.5 | 1% | 0.005 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -59.3 | -49.5 | 175.4 | -170.8 | 152 | 0 | 0 | 0 | 110.3 | F806 F830 L864 L865 L872 F873 | F806-L868 HydrophobicContact CE2-CB 3.99Å; F806-L868 HydrophobicContact CE2-CD1 3.94Å; F806-L868 HydrophobicContact CE2-CG 4.41Å; F806-L868 HydrophobicContact CZ-CB 3.78Å; F830-L868 HydrophobicContact CB-CD1 3.71Å; L864-L868 PolarHBondContact O-N 3.31Å; L865-L868 PolarHBondContact O-N 3.43Å; L868-L872 WeakPolarHBondContact O-CB 3.27Å; L868-L872 PolarHBondContact O-N 2.99Å; L868-F873 HydrophobicContact CD2-CD2 3.99Å; L868-F873 HydrophobicContact CD2-CE2 3.59Å |
| 869 | I | 81.3 | Confident | 79.2 | Confident | 5 Ų | 5 | 34.3 Ų | 34.3 | 3% | 0.026 | 19% | 0.187 | C | C | . | . | I | π-helix | trans | -66.2 | -45.4 | -178.6 | -63.1 | 168.8 | 0 | 0 | 0 | 111.3 | L865 N866 F873 L874 K917 L918 S921 L923 | L865-I869 HydrophobicContact CD1-CD1 4.4Å; L865-I869 HydrophobicContact CG-CD1 4.24Å; L865-I869 WeakPolarHBondContact O-CG1 3.31Å; L865-I869 PolarHBondContact O-N 3.44Å; L865-I869 VanDerWaalsContact O-N 3.08Å; N866-I869 PolarHBondContact O-N 3.4Å; I869-F873 PolarHBondContact O-N 3.4Å; I869-L874 PolarHBondContact O-N 2.87Å; I869-K917 HydrophobicContact CD1-CB 3.79Å; I869-L918 HydrophobicContact CD1-CD2 4.42Å; I869-L918 HydrophobicContact CG2-CD2 4.42Å; I869-S921 WeakPolarHBondContact CG2-OG 3.04Å; I869-L923 HydrophobicContact CG2-CD1 4.05Å |
| 870 | V | 80.8 | Confident | 79.1 | Confident | 70 Ų | 70 | 36.3 Ų | 36.3 | 42% | 0.424 | 19% | 0.192 | S | C | . | . | I | π-helix | trans | -77.8 | -33.5 | -174.4 | 174.3 | 0 | 0 | 0 | 0 | 113.2 | N866 R867 L874 P875 | N866-V870 VanDerWaalsContact O-CB 3.27Å; N866-V870 WeakPolarHBondContact O-CB 3.41Å; N866-V870 VanDerWaalsContact O-CG2 3.22Å; N866-V870 WeakPolarHBondContact O-CG2 3.37Å; N866-V870 PolarHBondContact O-N 2.97Å; R867-V870 PolarHBondContact O-N 3.05Å; V870-L874 HydrophobicContact CG1-CD2 4.25Å; V870-L874 WeakPolarHBondContact O-CB 3.42Å; V870-P875 VanDerWaalsContact O-CD 3.27Å; V870-P875 WeakPolarHBondContact O-CD 3.44Å |
| 871 | Q | 79.2 | Confident | 78.9 | Confident | 86 Ų | 86 | 35.9 Ų | 35.9 | 40% | 0.402 | 19% | 0.19 | S | C | . | . | I | π-helix | trans | -92 | -36.7 | -178.6 | -64.9 | -174.3 | -19.2 | 0 | 0 | 112.9 | C810 R867 P875 | C810-Q871 HydrophobicContact CB-CB 4.28Å; R867-Q871 HydrophobicContact CG-CG 3.82Å; R867-Q871 WeakPolarHBondContact O-CB 3.35Å; R867-Q871 WeakPolarHBondContact O-CG 3.5Å; R867-Q871 PolarHBondContact O-N 3.28Å; Q871-P875 WeakPolarHBondContact O-CD 3.29Å; Q871-P875 WeakPolarHBondContact O-CG 3.24Å |
| 872 | L | 78.5 | Confident | 78.6 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 19% | 0.186 | C | C | . | . | I | π-helix | trans | -90.2 | -47.4 | -175 | -168.8 | 146.8 | 0 | 0 | 0 | 112.2 | V809 V827 L868 N876 Y892 | V809-L872 HydrophobicContact CG1-CD1 3.64Å; V827-L872 HydrophobicContact CG2-CD1 3.87Å; L868-L872 WeakPolarHBondContact O-CB 3.27Å; L868-L872 PolarHBondContact O-N 2.99Å; L872-N876 PolarHBondContact O-ND2 3.18Å; L872-Y892 HydrophobicContact CD2-CD1 3.75Å; L872-Y892 HydrophobicContact CD2-CE1 3.82Å; L872-Y892 HydrophobicContact CG-CD1 4.48Å; L872-Y892 HydrophobicContact CG-CE1 4.09Å |
| 873 | F | 82 | Confident | 78.1 | Confident | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 19% | 0.192 | C | C | . | . | I | π-helix | trans | -94.1 | -46.6 | -172.7 | -67.1 | -63.6 | 0 | 0 | 0 | 113.3 | V827 L868 I869 N876 L877 Y892 L895 L896 L923 | V827-F873 HydrophobicContact CG1-CE2 4.28Å; V827-F873 HydrophobicContact CG1-CZ 3.88Å; L868-F873 HydrophobicContact CD2-CD2 3.99Å; L868-F873 HydrophobicContact CD2-CE2 3.59Å; I869-F873 PolarHBondContact O-N 3.4Å; F873-N876 PolarHBondContact O-N 3.08Å; F873-L877 HydrophobicContact CB-CD1 4.13Å; F873-L877 HydrophobicContact CD1-CD1 4.05Å; F873-L877 WeakPolarHBondContact O-CB 3.44Å; F873-L877 PolarHBondContact O-N 3.48Å; F873-Y892 HydrophobicContact CD1-CD1 4.46Å; F873-L895 HydrophobicContact CE1-CB 4.25Å; F873-L896 HydrophobicContact CD1-CB 4Å; F873-L896 HydrophobicContact CD1-CD1 4.22Å; F873-L896 HydrophobicContact CD2-CD1 4.01Å; F873-L896 HydrophobicContact CE1-CB 3.54Å; F873-L896 HydrophobicContact CE1-CD1 4Å; F873-L896 HydrophobicContact CE1-CG 4.33Å; F873-L896 HydrophobicContact CE2-CD1 3.75Å; F873-L896 HydrophobicContact CG-CD1 4.24Å; F873-L896 HydrophobicContact CZ-CB 3.97Å; F873-L896 HydrophobicContact CZ-CD1 3.75Å; F873-L896 HydrophobicContact CZ-CG 4.48Å; F873-L923 HydrophobicContact CB-CD1 3.47Å; F873-L923 VanDerWaalsContact CB-CD1 3.47Å; F873-L923 HydrophobicContact CG-CD1 4.31Å |
| 874 | L | 79.1 | Confident | 77.5 | Confident | 47 Ų | 47 | 40.1 Ų | 40.1 | 25% | 0.246 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -41 | -174.7 | -165.6 | 76.3 | 0 | 0 | 0 | 115 | I869 V870 N876 | I869-L874 PolarHBondContact O-N 2.87Å; V870-L874 HydrophobicContact CG1-CD2 4.25Å; V870-L874 WeakPolarHBondContact O-CB 3.42Å; L874-N876 VanDerWaalsContact C-N 3.3Å; L874-N876 PolarHBondContact O-N 3.43Å |
| 875 | P | 76.8 | Confident | 76.9 | Confident | 41 Ų | 41 | 40.9 Ų | 40.9 | 27% | 0.266 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | -27.3 | -179.8 | -18.3 | 35.2 | 0 | 0 | 0 | 112.2 | V870 Q871 N878 | V870-P875 VanDerWaalsContact O-CD 3.27Å; V870-P875 WeakPolarHBondContact O-CD 3.44Å; Q871-P875 WeakPolarHBondContact O-CD 3.29Å; Q871-P875 WeakPolarHBondContact O-CG 3.24Å; P875-N878 PolarHBondContact O-ND2 2.87Å |
| 876 | N | 76.7 | Confident | 76.3 | Confident | 7 Ų | 7 | 43.2 Ų | 43.2 | 4% | 0.037 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | -29.3 | -174 | -67.3 | -32.7 | 0 | 0 | 0 | 112.7 | L872 F873 L874 N881 H889 Y892 | L872-N876 PolarHBondContact O-ND2 3.18Å; F873-N876 PolarHBondContact O-N 3.08Å; L874-N876 VanDerWaalsContact C-N 3.3Å; L874-N876 PolarHBondContact O-N 3.43Å; N876-N881 WeakPolarHBondContact CA-ND2 3.39Å; N876-N881 PolarHBondContact O-ND2 3Å; N876-H889 PolarHBondContact O-CD2 3.36Å; N876-Y892 HydrophobicContact CB-CD1 4.25Å; N876-Y892 HydrophobicContact CB-CD2 3.48Å; N876-Y892 VanDerWaalsContact CB-CD2 3.48Å; N876-Y892 HydrophobicContact CB-CE2 3.95Å; N876-Y892 HydrophobicContact CB-CG 3.68Å; N876-Y892 VanDerWaalsContact ND2-CE1 3.34Å; N876-Y892 WeakPolarHBondContact ND2-CE1 3.2Å; N876-Y892 VanDerWaalsContact ND2-CE2 3.28Å; N876-Y892 WeakPolarHBondContact ND2-CE2 3.45Å |
| 877 | L | 80.4 | Confident | 75.6 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -104.3 | 58 | 179.2 | -60.3 | 178 | 0 | 0 | 0 | 111.2 | F873 L893 L896 L923 L927 | F873-L877 HydrophobicContact CB-CD1 4.13Å; F873-L877 HydrophobicContact CD1-CD1 4.05Å; F873-L877 WeakPolarHBondContact O-CB 3.44Å; F873-L877 PolarHBondContact O-N 3.48Å; L877-L893 HydrophobicContact CD2-CB 4.25Å; L877-L896 HydrophobicContact CD1-CD2 3.97Å; L877-L923 HydrophobicContact CD1-CD2 4.28Å; L877-L927 HydrophobicContact CB-CD2 4.19Å; L877-L927 HydrophobicContact CD1-CD2 4.31Å; L877-L927 HydrophobicContact CD2-CD2 4.3Å |
| 878 | N | 78.4 | Confident | 75 | Confident | 39 Ų | 39 | 44.9 Ų | 44.9 | 21% | 0.209 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -130.4 | 165.9 | 174 | 65.1 | 32.4 | 0 | 0 | 0 | 111.2 | P875 N880 N881 F882 C930 | P875-N878 PolarHBondContact O-ND2 2.87Å; N878-N880 VanDerWaalsContact C-N 3.29Å; N878-N880 PolarHBondContact O-N 2.97Å; N878-N880 PolarHBondContact OD1-N 2.66Å; N878-N881 PolarHBondContact O-N 3.47Å; N878-N881 WeakPolarHBondContact OD1-CB 3.43Å; N878-N881 PolarHBondContact OD1-N 3.1Å; N878-F882 PolarHBondContact O-N 3.27Å; N878-F882 VanDerWaalsContact O-N 3.15Å; N878-C930 VanDerWaalsContact C-SG 3.53Å |
| 879 | Q | 74.8 | Confident | 74.7 | Confident | 54 Ų | 54 | 44.8 Ų | 44.8 | 25% | 0.252 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -62.6 | -34.9 | -176.7 | -72.8 | -179.2 | -18.2 | 0 | 0 | 113.1 | N929 C930 N933 | Q879-N929 VanDerWaalsContact NE2-C 3.27Å; Q879-N929 PolarHBondContact NE2-O 2.82Å; Q879-C930 VanDerWaalsContact CA-SG 3.59Å; Q879-C930 VanDerWaalsContact CG-SG 3.54Å; Q879-C930 PolarHBondContact N-SG 2.74Å; Q879-C930 VanDerWaalsContact N-SG 3.42Å; Q879-N933 PolarHBondContact NE2-ND2 2.99Å |
| 880 | N | 73.9 | Confident | 74.3 | Confident | 111 Ų | 111 | 45 Ų | 45 | 59% | 0.594 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -71.5 | -42.1 | -177.2 | -62.2 | -10.5 | 0 | 0 | 0 | 111.4 | N878 F882 E883 I884 | N878-N880 VanDerWaalsContact C-N 3.29Å; N878-N880 PolarHBondContact O-N 2.97Å; N878-N880 PolarHBondContact OD1-N 2.66Å; N880-F882 VanDerWaalsContact C-N 3.34Å; N880-E883 PolarHBondContact O-N 3.07Å; N880-I884 WeakPolarHBondContact O-CG1 3.29Å; N880-I884 PolarHBondContact O-N 2.69Å |
| 881 | N | 71.2 | Confident | 73.8 | Confident | 22 Ų | 22 | 43 Ų | 43 | 12% | 0.118 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -73.4 | -29 | 179.8 | -164.1 | 45.7 | 0 | 0 | 0 | 112 | N876 N878 E883 I884 A885 | N876-N881 WeakPolarHBondContact CA-ND2 3.39Å; N876-N881 PolarHBondContact O-ND2 3Å; N878-N881 PolarHBondContact O-N 3.47Å; N878-N881 WeakPolarHBondContact OD1-CB 3.43Å; N878-N881 PolarHBondContact OD1-N 3.1Å; N881-E883 PolarHBondContact O-N 3.22Å; N881-I884 PolarHBondContact O-N 2.73Å; N881-A885 PolarHBondContact O-N 3.3Å |
| 882 | F | 69.2 | Low | 73.7 | Confident | 1 Ų | 1 | 39.5 Ų | 39.5 | 0% | 0.004 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -58.6 | -35 | 170.8 | -179.1 | -94.4 | 0 | 0 | 0 | 112.1 | N878 N880 Q886 H889 K934 I935 L946 L954 | N878-F882 PolarHBondContact O-N 3.27Å; N878-F882 VanDerWaalsContact O-N 3.15Å; N880-F882 VanDerWaalsContact C-N 3.34Å; F882-Q886 VanDerWaalsContact O-CG 3.24Å; F882-Q886 WeakPolarHBondContact O-CG 3.27Å; F882-H889 HydrophobicContact CD2-CB 4.38Å; F882-H889 AromaticContact CD2-CG 3.92Å; F882-K934 HydrophobicContact CD1-CB 4.06Å; F882-K934 HydrophobicContact CD1-CG 4.42Å; F882-K934 HydrophobicContact CE1-CB 3.98Å; F882-I935 HydrophobicContact CE2-CD1 4.36Å; F882-I935 HydrophobicContact CE2-CG1 4.34Å; F882-I935 HydrophobicContact CZ-CD1 4.43Å; F882-I935 HydrophobicContact CZ-CG1 3.93Å; F882-L946 HydrophobicContact CE1-CD1 4.43Å; F882-L946 HydrophobicContact CZ-CD1 4.38Å; F882-L946 HydrophobicContact CZ-CD2 4.45Å; F882-L954 HydrophobicContact CE2-CD1 3.69Å; F882-L954 HydrophobicContact CE2-CD2 3.95Å; F882-L954 HydrophobicContact CE2-CG 4.49Å; F882-L954 HydrophobicContact CZ-CD1 3.5Å |
| 883 | E | 65.4 | Low | 73.8 | Confident | 82 Ų | 82 | 39.7 Ų | 39.7 | 38% | 0.383 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -72.4 | -36.6 | 175 | -65.8 | -176.5 | 163.8 | 0 | 0 | 112.9 | N880 N881 K934 | N880-E883 PolarHBondContact O-N 3.07Å; N881-E883 PolarHBondContact O-N 3.22Å; E883-K934 WeakPolarHBondContact OE1-CE 3.44Å; E883-K934 IonicContact OE1-NZ 2.6Å; E883-K934 PolarHBondContact OE1-NZ 3Å |
| 884 | I | 67.5 | Low | 73.5 | Confident | 141 Ų | 141 | 40.1 Ų | 40.1 | 72% | 0.723 | 21% | 0.206 | S | C | * | . | H | α-helix | trans | -83.6 | -41.8 | -173.2 | -61.1 | 165.4 | 0 | 0 | 0 | 111.7 | N880 N881 | N880-I884 WeakPolarHBondContact O-CG1 3.29Å; N880-I884 PolarHBondContact O-N 2.69Å; N881-I884 PolarHBondContact O-N 2.73Å |
| 885 | A | 70.6 | Confident | 73.5 | Confident | 22 Ų | 22 | 38 Ų | 38 | 18% | 0.182 | 20% | 0.195 | C | C | . | . | trans | -147.1 | 73.9 | -169.4 | 0 | 0 | 0 | 0 | 0 | 113 | N881 K887 Q888 H889 | N881-A885 PolarHBondContact O-N 3.3Å; A885-K887 VanDerWaalsContact C-N 3.26Å; A885-K887 PolarHBondContact O-N 2.91Å; A885-Q888 HydrophobicContact CB-CB 4.02Å; A885-Q888 HydrophobicContact CB-CG 4.08Å; A885-Q888 PolarHBondContact O-N 3.26Å; A885-Q888 VanDerWaalsContact O-N 3.08Å; A885-H889 PolarHBondContact O-N 3.42Å; A885-H889 VanDerWaalsContact O-N 3.11Å | ||
| 886 | Q | 69.6 | Low | 73.8 | Confident | 51 Ų | 51 | 36.1 Ų | 36.1 | 24% | 0.238 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -52.9 | -38.9 | 179.2 | -66.4 | 176.5 | 4.6 | 0 | 0 | 113.8 | F882 H889 I890 | F882-Q886 VanDerWaalsContact O-CG 3.24Å; F882-Q886 WeakPolarHBondContact O-CG 3.27Å; Q886-H889 PolarHBondContact O-N 2.99Å; Q886-I890 WeakPolarHBondContact O-CG1 3.25Å; Q886-I890 PolarHBondContact O-N 3.35Å; Q886-I890 VanDerWaalsContact O-N 3.09Å |
| 887 | K | 66.5 | Low | 74 | Confident | 83 Ų | 83 | 36.8 Ų | 36.8 | 36% | 0.361 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -63.8 | -42.5 | 178.2 | -179.2 | 162.3 | -179.9 | 168.3 | 0 | 112.7 | T532 S537 L538 A885 I890 T891 | T532-K887 PolarHBondContact O-NZ 3.22Å; S537-K887 PolarHBondContact OG-NZ 2.86Å; L538-K887 HydrophobicContact CD2-CB 3.71Å; L538-K887 HydrophobicContact CD2-CD 4.18Å; L538-K887 HydrophobicContact CD2-CG 3.61Å; A885-K887 VanDerWaalsContact C-N 3.26Å; A885-K887 PolarHBondContact O-N 2.91Å; K887-I890 PolarHBondContact O-N 3.02Å; K887-T891 VanDerWaalsContact O-CG2 3.29Å; K887-T891 WeakPolarHBondContact O-CG2 3.48Å; K887-T891 PolarHBondContact O-N 3.31Å; K887-T891 PolarHBondContact O-OG1 3.31Å |
| 888 | Q | 71.4 | Confident | 73.8 | Confident | 79 Ų | 79 | 40.5 Ų | 40.5 | 37% | 0.369 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -64.1 | -47.4 | 176.2 | -69.7 | -179.9 | -13.3 | 0 | 0 | 109.9 | A885 I890 T891 Y892 | A885-Q888 HydrophobicContact CB-CB 4.02Å; A885-Q888 HydrophobicContact CB-CG 4.08Å; A885-Q888 PolarHBondContact O-N 3.26Å; A885-Q888 VanDerWaalsContact O-N 3.08Å; Q888-I890 VanDerWaalsContact C-N 3.3Å; Q888-I890 PolarHBondContact O-N 3.03Å; Q888-T891 WeakPolarHBondContact CA-OG1 3.32Å; Q888-T891 PolarHBondContact O-N 3.21Å; Q888-T891 VanDerWaalsContact O-N 3.08Å; Q888-T891 PolarHBondContact O-OG1 2.97Å; Q888-Y892 HydrophobicContact CB-CD2 4.49Å; Q888-Y892 HydrophobicContact CB-CE2 4.47Å; Q888-Y892 WeakPolarHBondContact O-CD2 3.32Å; Q888-Y892 PolarHBondContact O-N 3.34Å |
| 889 | H | 75.1 | Confident | 73.9 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -53.7 | -45.7 | 178 | -173.8 | -73.1 | 0 | 0 | 0 | 112.5 | N876 F882 A885 Q886 Y892 L893 Y958 | N876-H889 PolarHBondContact O-CD2 3.36Å; F882-H889 HydrophobicContact CD2-CB 4.38Å; F882-H889 AromaticContact CD2-CG 3.92Å; A885-H889 PolarHBondContact O-N 3.42Å; A885-H889 VanDerWaalsContact O-N 3.11Å; Q886-H889 PolarHBondContact O-N 2.99Å; H889-Y892 PolarHBondContact O-N 3.06Å; H889-L893 WeakPolarHBondContact O-CB 3.18Å; H889-L893 PolarHBondContact O-N 2.9Å; H889-Y958 AromaticContact CE1-CZ 3.92Å; H889-Y958 PolarHBondContact CE1-OH 2.94Å |
| 890 | I | 72.9 | Confident | 74.3 | Confident | 9 Ų | 9 | 36.1 Ų | 36.1 | 5% | 0.046 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -64.5 | -44 | 177.6 | -67.5 | 163.8 | 0 | 0 | 0 | 111.6 | L538 V542 Q886 K887 Q888 Y892 L893 S894 L954 | L538-I890 HydrophobicContact CB-CD1 4.42Å; L538-I890 HydrophobicContact CD1-CD1 4.06Å; L538-I890 HydrophobicContact CD2-CB 4.46Å; L538-I890 HydrophobicContact CD2-CD1 3.81Å; L538-I890 HydrophobicContact CG-CD1 4.32Å; V542-I890 HydrophobicContact CG2-CG2 3.54Å; Q886-I890 WeakPolarHBondContact O-CG1 3.25Å; Q886-I890 PolarHBondContact O-N 3.35Å; Q886-I890 VanDerWaalsContact O-N 3.09Å; K887-I890 PolarHBondContact O-N 3.02Å; Q888-I890 VanDerWaalsContact C-N 3.3Å; Q888-I890 PolarHBondContact O-N 3.03Å; I890-Y892 VanDerWaalsContact C-N 3.32Å; I890-Y892 PolarHBondContact O-N 2.82Å; I890-L893 PolarHBondContact O-N 3.44Å; I890-S894 PolarHBondContact O-N 3.45Å; I890-S894 PolarHBondContact O-OG 3.45Å; I890-L954 HydrophobicContact CD1-CD2 3.62Å; I890-L954 HydrophobicContact CG1-CD2 3.64Å |
| 891 | T | 70.5 | Confident | 74.5 | Confident | 27 Ų | 27 | 33.2 Ų | 33.2 | 17% | 0.166 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -61 | -39.4 | 177.9 | 58.1 | 0 | 0 | 0 | 0 | 112.5 | I541 K887 Q888 S894 L895 | I541-T891 HydrophobicContact CD1-CG2 3.75Å; I541-T891 HydrophobicContact CG2-CG2 4.19Å; K887-T891 VanDerWaalsContact O-CG2 3.29Å; K887-T891 WeakPolarHBondContact O-CG2 3.48Å; K887-T891 PolarHBondContact O-N 3.31Å; K887-T891 PolarHBondContact O-OG1 3.31Å; Q888-T891 WeakPolarHBondContact CA-OG1 3.32Å; Q888-T891 PolarHBondContact O-N 3.21Å; Q888-T891 VanDerWaalsContact O-N 3.08Å; Q888-T891 PolarHBondContact O-OG1 2.97Å; T891-S894 PolarHBondContact O-N 3.21Å; T891-S894 PolarHBondContact O-OG 3.27Å; T891-L895 WeakPolarHBondContact O-CB 3.32Å; T891-L895 WeakPolarHBondContact O-CG 3.07Å; T891-L895 PolarHBondContact O-N 3.44Å |
| 892 | Y | 78.2 | Confident | 74.7 | Confident | 13 Ų | 13 | 33.7 Ų | 33.7 | 5% | 0.051 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -73.4 | -31.7 | 177 | -76.3 | -76.4 | 0 | 0 | 0 | 112.7 | Q815 L872 F873 N876 Q888 H889 I890 L895 L896 | Q815-Y892 WeakPolarHBondContact CB-OH 3.45Å; Q815-Y892 WeakPolarHBondContact CG-OH 3.47Å; Q815-Y892 PolarHBondContact OE1-OH 2.91Å; L872-Y892 HydrophobicContact CD2-CD1 3.75Å; L872-Y892 HydrophobicContact CD2-CE1 3.82Å; L872-Y892 HydrophobicContact CG-CD1 4.48Å; L872-Y892 HydrophobicContact CG-CE1 4.09Å; F873-Y892 HydrophobicContact CD1-CD1 4.46Å; N876-Y892 HydrophobicContact CB-CD1 4.25Å; N876-Y892 HydrophobicContact CB-CD2 3.48Å; N876-Y892 VanDerWaalsContact CB-CD2 3.48Å; N876-Y892 HydrophobicContact CB-CE2 3.95Å; N876-Y892 HydrophobicContact CB-CG 3.68Å; N876-Y892 VanDerWaalsContact ND2-CE1 3.34Å; N876-Y892 WeakPolarHBondContact ND2-CE1 3.2Å; N876-Y892 VanDerWaalsContact ND2-CE2 3.28Å; N876-Y892 WeakPolarHBondContact ND2-CE2 3.45Å; Q888-Y892 HydrophobicContact CB-CD2 4.49Å; Q888-Y892 HydrophobicContact CB-CE2 4.47Å; Q888-Y892 WeakPolarHBondContact O-CD2 3.32Å; Q888-Y892 PolarHBondContact O-N 3.34Å; H889-Y892 PolarHBondContact O-N 3.06Å; I890-Y892 VanDerWaalsContact C-N 3.32Å; I890-Y892 PolarHBondContact O-N 2.82Å; Y892-L895 HydrophobicContact CD1-CD1 3.9Å; Y892-L895 HydrophobicContact CE1-CD1 4.06Å; Y892-L896 WeakPolarHBondContact O-CB 3.32Å; Y892-L896 PolarHBondContact O-N 3.46Å |
| 893 | L | 80.6 | Confident | 75.2 | Confident | 4 Ų | 4 | 33.7 Ų | 33.7 | 2% | 0.021 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -64.9 | -42.2 | 172.7 | -177 | 64.8 | 0 | 0 | 0 | 110.8 | L877 H889 I890 L896 N897 L927 A957 Y958 F961 | L877-L893 HydrophobicContact CD2-CB 4.25Å; H889-L893 WeakPolarHBondContact O-CB 3.18Å; H889-L893 PolarHBondContact O-N 2.9Å; I890-L893 PolarHBondContact O-N 3.44Å; L893-L896 PolarHBondContact O-N 3.13Å; L893-N897 VanDerWaalsContact O-CB 3.29Å; L893-N897 WeakPolarHBondContact O-CB 3.32Å; L893-N897 PolarHBondContact O-N 3.42Å; L893-L927 HydrophobicContact CD1-CD1 4.37Å; L893-L927 HydrophobicContact CD1-CD2 4.11Å; L893-A957 HydrophobicContact CD2-CB 4.07Å; L893-Y958 HydrophobicContact CD2-CD2 3.86Å; L893-Y958 HydrophobicContact CD2-CE2 3.98Å; L893-Y958 HydrophobicContact CD2-CG 4.22Å; L893-F961 HydrophobicContact CD1-CB 4.03Å; L893-F961 HydrophobicContact CD1-CD1 4.2Å; L893-F961 HydrophobicContact CD1-CD2 4.03Å; L893-F961 HydrophobicContact CD1-CG 3.8Å; L893-F961 HydrophobicContact CG-CB 4.42Å |
| 894 | S | 75.3 | Confident | 75.7 | Confident | 10 Ų | 10 | 33.9 Ų | 33.9 | 7% | 0.07 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -71.6 | -36.4 | 177.6 | 69.1 | 0 | 0 | 0 | 0 | 112.6 | I541 Y820 I890 T891 N897 H898 | I541-S894 WeakPolarHBondContact CG2-OG 3.47Å; Y820-S894 WeakPolarHBondContact CE2-OG 3.36Å; Y820-S894 VanDerWaalsContact CZ-OG 3.31Å; Y820-S894 VanDerWaalsContact OH-CB 3.24Å; Y820-S894 WeakPolarHBondContact OH-CB 3.46Å; Y820-S894 PolarHBondContact OH-OG 3.28Å; I890-S894 PolarHBondContact O-N 3.45Å; I890-S894 PolarHBondContact O-OG 3.45Å; T891-S894 PolarHBondContact O-N 3.21Å; T891-S894 PolarHBondContact O-OG 3.27Å; S894-N897 WeakPolarHBondContact O-CB 3.32Å; S894-N897 PolarHBondContact O-N 3.1Å; S894-H898 WeakPolarHBondContact O-CB 3.37Å; S894-H898 PolarHBondContact O-N 3.48Å |
| 895 | L | 78.4 | Confident | 76 | Confident | 2 Ų | 2 | 34.3 Ų | 34.3 | 1% | 0.01 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -60.1 | -45.9 | 170.7 | -75.2 | 168.1 | 0 | 0 | 0 | 111.4 | Y820 L823 N824 F873 T891 Y892 H898 S899 | Y820-L895 HydrophobicContact CD2-CD2 4.08Å; Y820-L895 HydrophobicContact CD2-CG 4.16Å; Y820-L895 HydrophobicContact CE2-CD2 3.74Å; Y820-L895 HydrophobicContact CE2-CG 3.65Å; L823-L895 HydrophobicContact CB-CD2 4.44Å; L823-L895 HydrophobicContact CD2-CD1 3.56Å; L823-L895 HydrophobicContact CD2-CD2 4.48Å; L823-L895 HydrophobicContact CG-CD1 4.04Å; L823-L895 HydrophobicContact CG-CD2 4.18Å; N824-L895 HydrophobicContact CB-CD2 3.61Å; F873-L895 HydrophobicContact CE1-CB 4.25Å; T891-L895 WeakPolarHBondContact O-CB 3.32Å; T891-L895 WeakPolarHBondContact O-CG 3.07Å; T891-L895 PolarHBondContact O-N 3.44Å; Y892-L895 HydrophobicContact CD1-CD1 3.9Å; Y892-L895 HydrophobicContact CE1-CD1 4.06Å; L895-H898 PolarHBondContact O-N 2.93Å; L895-S899 VanDerWaalsContact O-CB 3.32Å; L895-S899 WeakPolarHBondContact O-CB 3.41Å; L895-S899 PolarHBondContact O-N 2.73Å; L895-S899 PolarHBondContact O-OG 2.97Å |
| 896 | L | 82.4 | Confident | 76.2 | Confident | 1 Ų | 1 | 33.7 Ų | 33.7 | 1% | 0.005 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -61.6 | -47.6 | 176.9 | -177.5 | 64.9 | 0 | 0 | 0 | 110.4 | F873 L877 Y892 L893 H898 S899 I900 L918 L923 L927 F961 | F873-L896 HydrophobicContact CD1-CB 4Å; F873-L896 HydrophobicContact CD1-CD1 4.22Å; F873-L896 HydrophobicContact CD2-CD1 4.01Å; F873-L896 HydrophobicContact CE1-CB 3.54Å; F873-L896 HydrophobicContact CE1-CD1 4Å; F873-L896 HydrophobicContact CE1-CG 4.33Å; F873-L896 HydrophobicContact CE2-CD1 3.75Å; F873-L896 HydrophobicContact CG-CD1 4.24Å; F873-L896 HydrophobicContact CZ-CB 3.97Å; F873-L896 HydrophobicContact CZ-CD1 3.75Å; F873-L896 HydrophobicContact CZ-CG 4.48Å; L877-L896 HydrophobicContact CD1-CD2 3.97Å; Y892-L896 WeakPolarHBondContact O-CB 3.32Å; Y892-L896 PolarHBondContact O-N 3.46Å; L893-L896 PolarHBondContact O-N 3.13Å; L896-H898 PolarHBondContact O-N 3.37Å; L896-S899 PolarHBondContact O-N 3.14Å; L896-I900 HydrophobicContact CD1-CD1 4.25Å; L896-I900 HydrophobicContact CG-CD1 4.03Å; L896-I900 WeakPolarHBondContact O-CG1 3.42Å; L896-I900 PolarHBondContact O-N 2.85Å; L896-L918 HydrophobicContact CD1-CD2 4.3Å; L896-L923 HydrophobicContact CD2-CD2 3.82Å; L896-L927 HydrophobicContact CD2-CD1 4.34Å; L896-F961 HydrophobicContact CD2-CD2 4.45Å; L896-F961 HydrophobicContact CD2-CE2 3.54Å; L896-F961 HydrophobicContact CD2-CZ 3.9Å; L896-F961 HydrophobicContact CG-CE2 3.86Å |
| 897 | N | 81.3 | Confident | 76.4 | Confident | 21 Ų | 21 | 35.8 Ų | 35.8 | 11% | 0.112 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -55.4 | -51.1 | 178.1 | -176.5 | 33.9 | 0 | 0 | 0 | 112 | L893 S894 S899 I900 L901 F961 T964 | L893-N897 VanDerWaalsContact O-CB 3.29Å; L893-N897 WeakPolarHBondContact O-CB 3.32Å; L893-N897 PolarHBondContact O-N 3.42Å; S894-N897 WeakPolarHBondContact O-CB 3.32Å; S894-N897 PolarHBondContact O-N 3.1Å; N897-S899 PolarHBondContact O-N 2.89Å; N897-I900 PolarHBondContact O-N 3.29Å; N897-L901 WeakPolarHBondContact O-CG 3.38Å; N897-L901 PolarHBondContact O-N 3.37Å; N897-F961 HydrophobicContact CB-CD2 4.21Å; N897-T964 WeakPolarHBondContact OD1-CB 3.35Å; N897-T964 WeakPolarHBondContact OD1-CG2 3.36Å; N897-T964 PolarHBondContact OD1-OG1 3.21Å |
| 898 | H | 77 | Confident | 76.8 | Confident | 79 Ų | 79 | 36.6 Ų | 36.6 | 37% | 0.366 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -67.3 | -36.5 | -180 | -167.3 | 90.6 | 0 | 0 | 0 | 112.8 | N824 S828 S894 L895 L896 I900 L901 S902 | N824-H898 PolarHBondContact ND2-CD2 3.37Å; N824-H898 VanDerWaalsContact ND2-CG 3.26Å; N824-H898 PolarHBondContact ND2-NE2 2.87Å; N824-H898 VanDerWaalsContact OD1-CB 3.24Å; N824-H898 WeakPolarHBondContact OD1-CB 3.41Å; N824-H898 PolarHBondContact OD1-CD2 2.89Å; N824-H898 VanDerWaalsContact OD1-CG 3.23Å; S828-H898 PolarHBondContact OG-CD2 3.33Å; S894-H898 WeakPolarHBondContact O-CB 3.37Å; S894-H898 PolarHBondContact O-N 3.48Å; L895-H898 PolarHBondContact O-N 2.93Å; L896-H898 PolarHBondContact O-N 3.37Å; H898-I900 VanDerWaalsContact C-N 3.28Å; H898-I900 PolarHBondContact O-N 3.09Å; H898-L901 WeakPolarHBondContact O-CB 3.43Å; H898-L901 PolarHBondContact O-N 3.36Å; H898-L901 VanDerWaalsContact O-N 3.15Å; H898-S902 PolarHBondContact O-N 2.97Å |
| 899 | S | 80.6 | Confident | 76.9 | Confident | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -63.5 | -37.5 | 174.9 | -56.1 | 0 | 0 | 0 | 0 | 111.1 | V827 L895 L896 N897 S902 | V827-S899 WeakPolarHBondContact CG1-OG 3.47Å; L895-S899 VanDerWaalsContact O-CB 3.32Å; L895-S899 WeakPolarHBondContact O-CB 3.41Å; L895-S899 PolarHBondContact O-N 2.73Å; L895-S899 PolarHBondContact O-OG 2.97Å; L896-S899 PolarHBondContact O-N 3.14Å; N897-S899 PolarHBondContact O-N 2.89Å; S899-S902 PolarHBondContact O-N 3.17Å; S899-S902 PolarHBondContact O-OG 2.93Å |
| 900 | I | 82.1 | Confident | 76.9 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -69.2 | -39.9 | 172.8 | -66.1 | 167.1 | 0 | 0 | 0 | 110.8 | L896 N897 H898 S902 L903 L918 F961 I968 L969 | L896-I900 HydrophobicContact CD1-CD1 4.25Å; L896-I900 HydrophobicContact CG-CD1 4.03Å; L896-I900 WeakPolarHBondContact O-CG1 3.42Å; L896-I900 PolarHBondContact O-N 2.85Å; N897-I900 PolarHBondContact O-N 3.29Å; H898-I900 VanDerWaalsContact C-N 3.28Å; H898-I900 PolarHBondContact O-N 3.09Å; I900-S902 VanDerWaalsContact C-N 3.26Å; I900-S902 PolarHBondContact O-N 3.25Å; I900-L903 VanDerWaalsContact O-CB 3.31Å; I900-L903 WeakPolarHBondContact O-CB 3.5Å; I900-L903 PolarHBondContact O-N 3.31Å; I900-L918 HydrophobicContact CD1-CD1 4.23Å; I900-F961 HydrophobicContact CD1-CE2 3.68Å; I900-F961 HydrophobicContact CD1-CZ 4.38Å; I900-I968 HydrophobicContact CG2-CB 4.19Å; I900-I968 HydrophobicContact CG2-CD1 4.37Å; I900-I968 HydrophobicContact CG2-CG2 4.24Å; I900-I968 WeakPolarHBondContact O-CD1 3.44Å; I900-L969 HydrophobicContact CD1-CD1 4.03Å; I900-L969 HydrophobicContact CG1-CD1 4.2Å; I900-L969 HydrophobicContact CG2-CD1 3.85Å; I900-L969 HydrophobicContact CG2-CG 3.93Å |
| 901 | L | 78.9 | Confident | 77.3 | Confident | 50 Ų | 50 | 36.5 Ų | 36.5 | 26% | 0.262 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -56.3 | -38.7 | 174.4 | -75.3 | 173.4 | 0 | 0 | 0 | 112.6 | N897 H898 L903 E904 T964 I968 | N897-L901 WeakPolarHBondContact O-CG 3.38Å; N897-L901 PolarHBondContact O-N 3.37Å; H898-L901 WeakPolarHBondContact O-CB 3.43Å; H898-L901 PolarHBondContact O-N 3.36Å; H898-L901 VanDerWaalsContact O-N 3.15Å; L901-L903 PolarHBondContact O-N 3.47Å; L901-L903 VanDerWaalsContact O-N 3.1Å; L901-E904 VanDerWaalsContact O-CB 3.31Å; L901-E904 WeakPolarHBondContact O-CB 3.28Å; L901-E904 PolarHBondContact O-N 2.94Å; L901-T964 HydrophobicContact CD1-CG2 4.19Å; L901-T964 HydrophobicContact CD2-CG2 3.52Å; L901-T964 HydrophobicContact CG-CG2 3.92Å; L901-I968 VanDerWaalsContact CA-CD1 3.47Å; L901-I968 HydrophobicContact CB-CD1 4.5Å; L901-I968 HydrophobicContact CD2-CD1 3.85Å |
| 902 | S | 75.7 | Confident | 77.6 | Confident | 33 Ų | 33 | 40 Ų | 40 | 23% | 0.231 | 20% | 0.204 | C | C | . | . | G | 310 helix | trans | -63.5 | -16 | 177.4 | 74.9 | 0 | 0 | 0 | 0 | 114.2 | H898 S899 I900 E904 | H898-S902 PolarHBondContact O-N 2.97Å; S899-S902 PolarHBondContact O-N 3.17Å; S899-S902 PolarHBondContact O-OG 2.93Å; I900-S902 VanDerWaalsContact C-N 3.26Å; I900-S902 PolarHBondContact O-N 3.25Å; S902-E904 VanDerWaalsContact C-N 3.33Å |
| 903 | L | 78.5 | Confident | 77.6 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.21 | C | C | . | . | G | 310 helix | trans | -84.2 | 1.3 | 174.9 | -63.4 | 173.2 | 0 | 0 | 0 | 114.3 | L831 F832 I900 L901 N905 A906 R911 V914 I968 L969 | L831-L903 HydrophobicContact CD2-CD1 3.57Å; L831-L903 HydrophobicContact CD2-CD2 3.91Å; L831-L903 HydrophobicContact CD2-CG 3.73Å; F832-L903 HydrophobicContact CD2-CD2 3.91Å; I900-L903 VanDerWaalsContact O-CB 3.31Å; I900-L903 WeakPolarHBondContact O-CB 3.5Å; I900-L903 PolarHBondContact O-N 3.31Å; L901-L903 PolarHBondContact O-N 3.47Å; L901-L903 VanDerWaalsContact O-N 3.1Å; L903-N905 PolarHBondContact O-N 2.98Å; L903-N905 VanDerWaalsContact O-N 3.16Å; L903-A906 HydrophobicContact CB-CB 4.2Å; L903-A906 HydrophobicContact CD2-CB 3.99Å; L903-A906 VanDerWaalsContact O-CB 3.24Å; L903-A906 WeakPolarHBondContact O-CB 3.28Å; L903-A906 PolarHBondContact O-N 3.41Å; L903-R911 PolarHBondContact O-NE 3.47Å; L903-V914 HydrophobicContact CD1-CB 4.22Å; L903-V914 HydrophobicContact CD1-CG1 4.11Å; L903-V914 HydrophobicContact CD1-CG2 3.88Å; L903-I968 HydrophobicContact CB-CG2 4.08Å; L903-L969 HydrophobicContact CD1-CD2 4.42Å |
| 904 | E | 77 | Confident | 77.7 | Confident | 86 Ų | 86 | 41 Ų | 41 | 40% | 0.402 | 21% | 0.21 | S | C | . | . | G | 310 helix | trans | -56.7 | -32.8 | -177.8 | -178.6 | 169 | -175.5 | 0 | 0 | 113.4 | L901 S902 R911 R967 I968 | L901-E904 VanDerWaalsContact O-CB 3.31Å; L901-E904 WeakPolarHBondContact O-CB 3.28Å; L901-E904 PolarHBondContact O-N 2.94Å; S902-E904 VanDerWaalsContact C-N 3.33Å; E904-R911 PolarHBondContact O-NH2 3.48Å; E904-R967 IonicContact OE1-CZ 3.45Å; E904-R967 IonicContact OE1-NH1 2.79Å; E904-R967 PolarHBondContact OE1-NH1 3.02Å; E904-R967 IonicContact OE1-NH2 3.85Å; E904-R967 IonicContact OE2-CZ 3.65Å; E904-R967 IonicContact OE2-NH1 2.84Å; E904-R967 PolarHBondContact OE2-NH1 3.1Å; E904-R967 VanDerWaalsContact OE2-NH1 3.14Å; E904-R967 IonicContact OE2-NH2 3.65Å; E904-R967 PolarHBondContact OE2-NH2 3.32Å; E904-I968 HydrophobicContact CB-CD1 4.02Å; E904-I968 HydrophobicContact CB-CG1 4.46Å |
| 905 | N | 73.3 | Confident | 77.9 | Confident | 151 Ų | 151 | 42.4 Ų | 42.4 | 81% | 0.807 | 21% | 0.214 | S | C | * | . | G | 310 helix | trans | -97 | 3.1 | 177.1 | -65.9 | -26.3 | 0 | 0 | 0 | 113.3 | L903 | L903-N905 PolarHBondContact O-N 2.98Å; L903-N905 VanDerWaalsContact O-N 3.16Å |
| 906 | A | 73.8 | Confident | 77.9 | Confident | 9 Ų | 9 | 45.3 Ų | 45.3 | 7% | 0.074 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -79.1 | 159.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | F832 L903 T910 R911 | F832-A906 HydrophobicContact CD2-CB 4.44Å; F832-A906 HydrophobicContact CE2-CB 3.84Å; L903-A906 HydrophobicContact CB-CB 4.2Å; L903-A906 HydrophobicContact CD2-CB 3.99Å; L903-A906 VanDerWaalsContact O-CB 3.24Å; L903-A906 WeakPolarHBondContact O-CB 3.28Å; L903-A906 PolarHBondContact O-N 3.41Å; A906-T910 WeakPolarHBondContact CB-OG1 3.46Å; A906-R911 VanDerWaalsContact O-CZ 3.3Å; A906-R911 PolarHBondContact O-NE 3.4Å; A906-R911 PolarHBondContact O-NH2 3.5Å |
| 907 | K | 74.3 | Confident | 77.8 | Confident | 95 Ų | 95 | 47.3 Ų | 47.3 | 41% | 0.413 | 24% | 0.241 | S | C | . | . | trans | -65.6 | 157 | 179.2 | -65.1 | -179.6 | 176.1 | -179.9 | 0 | 111.7 | E839 S909 T910 R911 | E839-K907 IonicContact OE1-NZ 2.68Å; E839-K907 PolarHBondContact OE1-NZ 3.01Å; K907-S909 PolarHBondContact O-N 2.94Å; K907-T910 HydrophobicContact CB-CG2 4.31Å; K907-T910 PolarHBondContact N-OG1 2.79Å; K907-T910 PolarHBondContact O-N 3.36Å; K907-T910 PolarHBondContact O-OG1 3.13Å; K907-R911 PolarHBondContact O-N 3.22Å | ||
| 908 | N | 75.8 | Confident | 77.8 | Confident | 99 Ų | 99 | 46.4 Ų | 46.4 | 53% | 0.529 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -59.9 | -33.6 | 177.2 | -72.1 | -8.8 | 0 | 0 | 0 | 113.1 | T910 R911 Q912 I971 | N908-T910 PolarHBondContact O-N 2.92Å; N908-R911 PolarHBondContact O-N 3.15Å; N908-Q912 WeakPolarHBondContact O-CG 3.39Å; N908-Q912 PolarHBondContact O-N 3.39Å; N908-I971 HydrophobicContact CB-CD1 4.18Å |
| 909 | S | 72.5 | Confident | 77.8 | Confident | 36 Ų | 36 | 45.2 Ų | 45.2 | 25% | 0.252 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -61.2 | -43.3 | 176.3 | 53.2 | 0 | 0 | 0 | 0 | 112.2 | E837 K907 R911 Q912 L913 | E837-S909 PolarHBondContact OE2-OG 3.33Å; K907-S909 PolarHBondContact O-N 2.94Å; S909-R911 PolarHBondContact O-N 2.95Å; S909-Q912 PolarHBondContact O-N 2.84Å; S909-L913 PolarHBondContact O-N 3.17Å |
| 910 | T | 75.8 | Confident | 77.7 | Confident | 7 Ų | 7 | 51.6 Ų | 51.6 | 4% | 0.043 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -67.3 | -39.7 | 179.8 | 69.3 | 0 | 0 | 0 | 0 | 111.1 | T835 A906 K907 N908 L913 V914 | T835-T910 WeakPolarHBondContact O-CG2 3.35Å; A906-T910 WeakPolarHBondContact CB-OG1 3.46Å; K907-T910 HydrophobicContact CB-CG2 4.31Å; K907-T910 PolarHBondContact N-OG1 2.79Å; K907-T910 PolarHBondContact O-N 3.36Å; K907-T910 PolarHBondContact O-OG1 3.13Å; N908-T910 PolarHBondContact O-N 2.92Å; T910-L913 PolarHBondContact O-N 3.34Å; T910-V914 WeakPolarHBondContact O-CG2 3.23Å; T910-V914 PolarHBondContact O-N 3.07Å |
| 911 | R | 80.6 | Confident | 77.6 | Confident | 44 Ų | 44 | 53 Ų | 53 | 17% | 0.166 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -64.4 | -41.2 | 175.3 | -61 | -175.6 | -146.7 | -171.5 | -0.4 | 111.8 | L903 E904 A906 K907 N908 S909 V914 Y915 I968 L969 I971 | L903-R911 PolarHBondContact O-NE 3.47Å; E904-R911 PolarHBondContact O-NH2 3.48Å; A906-R911 VanDerWaalsContact O-CZ 3.3Å; A906-R911 PolarHBondContact O-NE 3.4Å; A906-R911 PolarHBondContact O-NH2 3.5Å; K907-R911 PolarHBondContact O-N 3.22Å; N908-R911 PolarHBondContact O-N 3.15Å; S909-R911 PolarHBondContact O-N 2.95Å; R911-V914 PolarHBondContact O-N 3.01Å; R911-Y915 WeakPolarHBondContact O-CB 3.48Å; R911-Y915 PolarHBondContact O-N 2.6Å; R911-I968 WeakPolarHBondContact CD-O 3.5Å; R911-I968 HydrophobicContact CG-CG2 4.46Å; R911-L969 HydrophobicContact CB-CD2 4.03Å; R911-I971 HydrophobicContact CB-CD1 3.97Å |
| 912 | Q | 78.6 | Confident | 77.6 | Confident | 101 Ų | 101 | 51.5 Ų | 51.5 | 47% | 0.472 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -63.8 | -40.4 | 174.4 | -74.4 | -179.9 | -8.2 | 0 | 0 | 112.4 | N908 S909 Y915 T916 I971 | N908-Q912 WeakPolarHBondContact O-CG 3.39Å; N908-Q912 PolarHBondContact O-N 3.39Å; S909-Q912 PolarHBondContact O-N 2.84Å; Q912-Y915 PolarHBondContact O-N 2.83Å; Q912-T916 WeakPolarHBondContact O-CG2 3.29Å; Q912-T916 PolarHBondContact O-N 2.97Å; Q912-T916 PolarHBondContact O-OG1 3.22Å; Q912-T916 VanDerWaalsContact O-OG1 3.06Å; Q912-I971 HydrophobicContact CG-CB 4.48Å; Q912-I971 HydrophobicContact CG-CD1 3.77Å |
| 913 | L | 77.6 | Confident | 77.9 | Confident | 34 Ų | 34 | 50 Ų | 50 | 18% | 0.178 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -63.2 | -44.2 | 177.1 | -173.7 | 146 | 0 | 0 | 0 | 111.4 | T835 L865 S909 T910 T916 K917 | T835-L913 HydrophobicContact CG2-CD2 4.12Å; L865-L913 HydrophobicContact CD2-CD2 3.33Å; S909-L913 PolarHBondContact O-N 3.17Å; T910-L913 PolarHBondContact O-N 3.34Å; L913-T916 PolarHBondContact O-N 3.4Å; L913-T916 PolarHBondContact O-OG1 2.99Å; L913-K917 HydrophobicContact CD2-CG 4.38Å; L913-K917 WeakPolarHBondContact O-CB 3.49Å; L913-K917 WeakPolarHBondContact O-CG 3.44Å; L913-K917 PolarHBondContact O-N 3.36Å |
| 914 | V | 81.8 | Confident | 77.9 | Confident | 3 Ų | 3 | 51 Ų | 51 | 2% | 0.018 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -64 | -45.6 | 175.7 | 174.4 | 0 | 0 | 0 | 0 | 111.2 | T835 L903 T910 R911 T916 K917 L918 L969 | T835-V914 HydrophobicContact CG2-CG2 3.23Å; L903-V914 HydrophobicContact CD1-CB 4.22Å; L903-V914 HydrophobicContact CD1-CG1 4.11Å; L903-V914 HydrophobicContact CD1-CG2 3.88Å; T910-V914 WeakPolarHBondContact O-CG2 3.23Å; T910-V914 PolarHBondContact O-N 3.07Å; R911-V914 PolarHBondContact O-N 3.01Å; V914-T916 PolarHBondContact O-N 2.84Å; V914-K917 PolarHBondContact O-N 3.41Å; V914-L918 HydrophobicContact CG1-CD1 3.8Å; V914-L918 HydrophobicContact CG1-CG 4.2Å; V914-L918 WeakPolarHBondContact O-CB 3.05Å; V914-L918 WeakPolarHBondContact O-CG 3.28Å; V914-L918 PolarHBondContact O-N 2.8Å; V914-L969 HydrophobicContact CB-CD2 4.34Å; V914-L969 HydrophobicContact CG1-CD1 4.37Å; V914-L969 HydrophobicContact CG1-CD2 4.27Å |
| 915 | Y | 80.6 | Confident | 78 | Confident | 40 Ų | 40 | 51.6 Ų | 51.6 | 16% | 0.157 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -56 | -51.7 | 176.6 | 170.5 | -95.5 | 0 | 0 | 0 | 111.8 | R911 Q912 K917 L918 V919 F965 S972 S975 | R911-Y915 WeakPolarHBondContact O-CB 3.48Å; R911-Y915 PolarHBondContact O-N 2.6Å; Q912-Y915 PolarHBondContact O-N 2.83Å; Y915-K917 VanDerWaalsContact C-N 3.31Å; Y915-K917 PolarHBondContact O-N 3.04Å; Y915-L918 PolarHBondContact O-N 3.48Å; Y915-V919 HydrophobicContact CD2-CG2 4.39Å; Y915-V919 HydrophobicContact CE1-CG2 4.29Å; Y915-V919 HydrophobicContact CE2-CG2 3.95Å; Y915-V919 WeakPolarHBondContact O-CG2 3.5Å; Y915-V919 PolarHBondContact O-N 3.15Å; Y915-F965 HydrophobicContact CD2-CE2 4.46Å; Y915-F965 AromaticContact CD2-CZ 3.82Å; Y915-F965 HydrophobicContact CD2-CZ 3.82Å; Y915-F965 HydrophobicContact CE2-CE1 4.45Å; Y915-F965 AromaticContact CE2-CZ 3.89Å; Y915-F965 HydrophobicContact CE2-CZ 3.89Å; Y915-S972 PolarHBondContact OH-OG 3.21Å; Y915-S975 WeakPolarHBondContact CE2-OG 3.37Å; Y915-S975 WeakPolarHBondContact OH-CB 3.41Å; Y915-S975 PolarHBondContact OH-OG 3.36Å; Y915-S975 VanDerWaalsContact OH-OG 3.12Å |
| 916 | T | 78.7 | Confident | 78.2 | Confident | 63 Ų | 63 | 46.7 Ų | 46.7 | 39% | 0.387 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -61.7 | -38.6 | 180 | 53.3 | 0 | 0 | 0 | 0 | 112.2 | Q912 L913 V914 N920 | Q912-T916 WeakPolarHBondContact O-CG2 3.29Å; Q912-T916 PolarHBondContact O-N 2.97Å; Q912-T916 PolarHBondContact O-OG1 3.22Å; Q912-T916 VanDerWaalsContact O-OG1 3.06Å; L913-T916 PolarHBondContact O-N 3.4Å; L913-T916 PolarHBondContact O-OG1 2.99Å; V914-T916 PolarHBondContact O-N 2.84Å; T916-N920 WeakPolarHBondContact O-CB 2.96Å; T916-N920 PolarHBondContact O-N 3.43Å; T916-N920 PolarHBondContact O-ND2 3.46Å; T916-N920 PolarHBondContact O-OD1 3.31Å |
| 917 | K | 79.3 | Confident | 78.6 | Confident | 42 Ų | 42 | 46.5 Ų | 46.5 | 18% | 0.183 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -69.7 | -41.1 | 177.4 | -70.5 | -72.5 | -172.4 | 171.5 | 0 | 113.2 | L865 N866 I869 L913 V914 Y915 V919 N920 S921 | L865-K917 HydrophobicContact CD2-CG 4.12Å; N866-K917 PolarHBondContact ND2-NZ 2.59Å; N866-K917 VanDerWaalsContact OD1-CD 3.27Å; N866-K917 WeakPolarHBondContact OD1-CD 3.5Å; N866-K917 WeakPolarHBondContact OD1-CE 3.46Å; N866-K917 PolarHBondContact OD1-NZ 3.41Å; I869-K917 HydrophobicContact CD1-CB 3.79Å; L913-K917 HydrophobicContact CD2-CG 4.38Å; L913-K917 WeakPolarHBondContact O-CB 3.49Å; L913-K917 WeakPolarHBondContact O-CG 3.44Å; L913-K917 PolarHBondContact O-N 3.36Å; V914-K917 PolarHBondContact O-N 3.41Å; Y915-K917 VanDerWaalsContact C-N 3.31Å; Y915-K917 PolarHBondContact O-N 3.04Å; K917-V919 VanDerWaalsContact C-N 3.33Å; K917-V919 PolarHBondContact O-N 3.31Å; K917-N920 PolarHBondContact O-N 2.77Å; K917-S921 VanDerWaalsContact O-CB 3.29Å; K917-S921 WeakPolarHBondContact O-CB 3.49Å; K917-S921 PolarHBondContact O-N 2.87Å; K917-S921 PolarHBondContact O-OG 3.01Å; K917-S921 VanDerWaalsContact O-OG 3.13Å |
| 918 | L | 80.7 | Confident | 78.7 | Confident | 3 Ų | 3 | 43.9 Ų | 43.9 | 2% | 0.016 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63.8 | -38.7 | 175.7 | -72.6 | 175.2 | 0 | 0 | 0 | 111.8 | I869 L896 I900 V914 Y915 S921 L923 M924 L969 | I869-L918 HydrophobicContact CD1-CD2 4.42Å; I869-L918 HydrophobicContact CG2-CD2 4.42Å; L896-L918 HydrophobicContact CD1-CD2 4.3Å; I900-L918 HydrophobicContact CD1-CD1 4.23Å; V914-L918 HydrophobicContact CG1-CD1 3.8Å; V914-L918 HydrophobicContact CG1-CG 4.2Å; V914-L918 WeakPolarHBondContact O-CB 3.05Å; V914-L918 WeakPolarHBondContact O-CG 3.28Å; V914-L918 PolarHBondContact O-N 2.8Å; Y915-L918 PolarHBondContact O-N 3.48Å; L918-S921 PolarHBondContact O-OG 3.1Å; L918-L923 HydrophobicContact CD2-CD1 4.09Å; L918-M924 HydrophobicContact CB-CG 4.38Å; L918-L969 HydrophobicContact CD1-CD1 3.99Å |
| 919 | V | 78.1 | Confident | 78.8 | Confident | 53 Ų | 53 | 42.2 Ų | 42.2 | 32% | 0.321 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -70.1 | -50.2 | 175.4 | 174.8 | 0 | 0 | 0 | 0 | 110.9 | Y915 K917 S921 G922 | Y915-V919 HydrophobicContact CD2-CG2 4.39Å; Y915-V919 HydrophobicContact CE1-CG2 4.29Å; Y915-V919 HydrophobicContact CE2-CG2 3.95Å; Y915-V919 WeakPolarHBondContact O-CG2 3.5Å; Y915-V919 PolarHBondContact O-N 3.15Å; K917-V919 VanDerWaalsContact C-N 3.33Å; K917-V919 PolarHBondContact O-N 3.31Å; V919-S921 PolarHBondContact O-N 3.48Å; V919-G922 PolarHBondContact O-N 2.93Å |
| 920 | N | 78.5 | Confident | 79.1 | Confident | 134 Ų | 134 | 40.5 Ų | 40.5 | 72% | 0.717 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -65.1 | -26.2 | -177.3 | -69.1 | -13.5 | 0 | 0 | 0 | 113.4 | T916 K917 G922 | T916-N920 WeakPolarHBondContact O-CB 2.96Å; T916-N920 PolarHBondContact O-N 3.43Å; T916-N920 PolarHBondContact O-ND2 3.46Å; T916-N920 PolarHBondContact O-OD1 3.31Å; K917-N920 PolarHBondContact O-N 2.77Å; N920-G922 PolarHBondContact O-N 3.14Å |
| 921 | S | 79.7 | Confident | 79.1 | Confident | 31 Ų | 31 | 40.5 Ų | 40.5 | 22% | 0.217 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | -10.7 | 176 | 66.2 | 0 | 0 | 0 | 0 | 114.1 | I869 K917 L918 V919 L923 | I869-S921 WeakPolarHBondContact CG2-OG 3.04Å; K917-S921 VanDerWaalsContact O-CB 3.29Å; K917-S921 WeakPolarHBondContact O-CB 3.49Å; K917-S921 PolarHBondContact O-N 2.87Å; K917-S921 PolarHBondContact O-OG 3.01Å; K917-S921 VanDerWaalsContact O-OG 3.13Å; L918-S921 PolarHBondContact O-OG 3.1Å; V919-S921 PolarHBondContact O-N 3.48Å; S921-L923 PolarHBondContact O-N 2.78Å; S921-L923 WeakPolarHBondContact OG-CB 3.47Å; S921-L923 PolarHBondContact OG-N 3.38Å |
| 922 | G | 79.2 | Confident | 78.8 | Confident | 18 Ų | 18 | 40.6 Ų | 40.6 | 19% | 0.186 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 73.5 | 6.2 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | V919 N920 D925 N926 | V919-G922 PolarHBondContact O-N 2.93Å; N920-G922 PolarHBondContact O-N 3.14Å; G922-D925 PolarHBondContact O-N 2.99Å; G922-N926 PolarHBondContact O-N 2.99Å |
| 923 | L | 82.3 | Confident | 78.6 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -64.1 | -43.2 | 179.9 | -171.8 | 161.5 | 0 | 0 | 0 | 111.3 | I869 F873 L877 L896 L918 S921 D925 N926 L927 | I869-L923 HydrophobicContact CG2-CD1 4.05Å; F873-L923 HydrophobicContact CB-CD1 3.47Å; F873-L923 VanDerWaalsContact CB-CD1 3.47Å; F873-L923 HydrophobicContact CG-CD1 4.31Å; L877-L923 HydrophobicContact CD1-CD2 4.28Å; L896-L923 HydrophobicContact CD2-CD2 3.82Å; L918-L923 HydrophobicContact CD2-CD1 4.09Å; S921-L923 PolarHBondContact O-N 2.78Å; S921-L923 WeakPolarHBondContact OG-CB 3.47Å; S921-L923 PolarHBondContact OG-N 3.38Å; L923-D925 VanDerWaalsContact C-N 3.33Å; L923-D925 PolarHBondContact O-N 2.71Å; L923-N926 WeakPolarHBondContact O-CB 3.49Å; L923-N926 PolarHBondContact O-N 3.15Å; L923-L927 HydrophobicContact CD2-CD1 3.5Å; L923-L927 HydrophobicContact CD2-CG 3.92Å; L923-L927 WeakPolarHBondContact O-CG 3.35Å; L923-L927 PolarHBondContact O-N 3.43Å |
| 924 | M | 78.3 | Confident | 78.3 | Confident | 23 Ų | 23 | 39 Ų | 39 | 11% | 0.113 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62.9 | -41 | 176.5 | -69.4 | -57.7 | -64.1 | 0 | 0 | 111.7 | L918 N926 L927 V928 F961 F965 | L918-M924 HydrophobicContact CB-CG 4.38Å; M924-N926 VanDerWaalsContact C-N 3.34Å; M924-N926 PolarHBondContact O-N 2.95Å; M924-L927 PolarHBondContact O-N 2.86Å; M924-L927 HydrophobicContact SD-CD1 4.4Å; M924-V928 WeakPolarHBondContact O-CB 3.29Å; M924-V928 VanDerWaalsContact O-CG2 3.31Å; M924-V928 WeakPolarHBondContact O-CG2 3.49Å; M924-V928 PolarHBondContact O-N 3.04Å; M924-F961 HydrophobicContact CE-CE1 4.21Å; M924-F961 HydrophobicContact SD-CE1 4.2Å; M924-F961 HydrophobicContact SD-CZ 4.04Å; M924-F965 HydrophobicContact CE-CD1 4.4Å; M924-F965 HydrophobicContact CE-CD2 4.09Å; M924-F965 HydrophobicContact CE-CE1 4.06Å; M924-F965 HydrophobicContact CE-CE2 3.73Å; M924-F965 HydrophobicContact CE-CG 4.42Å; M924-F965 HydrophobicContact CE-CZ 3.71Å; M924-F965 HydrophobicContact CG-CE2 4.48Å; M924-F965 HydrophobicContact SD-CD2 4.19Å; M924-F965 HydrophobicContact SD-CE2 3.72Å; M924-F965 HydrophobicContact SD-CZ 4.2Å |
| 925 | D | 77.6 | Confident | 77.6 | Confident | 97 Ų | 97 | 38.9 Ų | 38.9 | 52% | 0.519 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -64.1 | -40.7 | 175.9 | -63.2 | -27.7 | 0 | 0 | 0 | 110.9 | G922 L923 V928 N929 | G922-D925 PolarHBondContact O-N 2.99Å; L923-D925 VanDerWaalsContact C-N 3.33Å; L923-D925 PolarHBondContact O-N 2.71Å; D925-V928 PolarHBondContact O-N 3.37Å; D925-N929 WeakPolarHBondContact O-CB 3.34Å; D925-N929 PolarHBondContact O-N 2.62Å; D925-N929 PolarHBondContact O-ND2 3.25Å |
| 926 | N | 79 | Confident | 77.1 | Confident | 49 Ų | 49 | 37.7 Ų | 37.7 | 26% | 0.262 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -62.5 | -44 | 174.1 | -74.5 | -18.1 | 0 | 0 | 0 | 112.3 | G922 L923 M924 N929 C930 | G922-N926 PolarHBondContact O-N 2.99Å; L923-N926 WeakPolarHBondContact O-CB 3.49Å; L923-N926 PolarHBondContact O-N 3.15Å; M924-N926 VanDerWaalsContact C-N 3.34Å; M924-N926 PolarHBondContact O-N 2.95Å; N926-N929 PolarHBondContact O-N 3.24Å; N926-C930 WeakPolarHBondContact O-CB 3.05Å; N926-C930 PolarHBondContact O-N 3.32Å; N926-C930 PolarHBondContact O-SG 3.22Å |
| 927 | L | 81.2 | Confident | 76.5 | Confident | 4 Ų | 4 | 36.5 Ų | 36.5 | 2% | 0.021 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -63.2 | -44.7 | 177.5 | -74.9 | 179.4 | 0 | 0 | 0 | 111.7 | L877 L893 L896 L923 M924 C930 L931 Y958 F961 | L877-L927 HydrophobicContact CB-CD2 4.19Å; L877-L927 HydrophobicContact CD1-CD2 4.31Å; L877-L927 HydrophobicContact CD2-CD2 4.3Å; L893-L927 HydrophobicContact CD1-CD1 4.37Å; L893-L927 HydrophobicContact CD1-CD2 4.11Å; L896-L927 HydrophobicContact CD2-CD1 4.34Å; L923-L927 HydrophobicContact CD2-CD1 3.5Å; L923-L927 HydrophobicContact CD2-CG 3.92Å; L923-L927 WeakPolarHBondContact O-CG 3.35Å; L923-L927 PolarHBondContact O-N 3.43Å; M924-L927 PolarHBondContact O-N 2.86Å; M924-L927 HydrophobicContact SD-CD1 4.4Å; L927-C930 PolarHBondContact O-N 3.39Å; L927-L931 WeakPolarHBondContact O-CB 3.42Å; L927-L931 PolarHBondContact O-N 3.3Å; L927-Y958 HydrophobicContact CB-CE1 4.18Å; L927-Y958 HydrophobicContact CD2-CE1 3.99Å; L927-Y958 WeakPolarHBondContact O-CE1 3.45Å; L927-F961 HydrophobicContact CD1-CD1 4.37Å; L927-F961 HydrophobicContact CD1-CE1 3.63Å; L927-F961 HydrophobicContact CD1-CZ 3.77Å |
| 928 | V | 77.1 | Confident | 75.5 | Confident | 41 Ų | 41 | 38 Ų | 38 | 25% | 0.248 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62.8 | -45.9 | 175.8 | 170 | 0 | 0 | 0 | 0 | 110.4 | M924 D925 C930 L931 L932 L982 | M924-V928 WeakPolarHBondContact O-CB 3.29Å; M924-V928 VanDerWaalsContact O-CG2 3.31Å; M924-V928 WeakPolarHBondContact O-CG2 3.49Å; M924-V928 PolarHBondContact O-N 3.04Å; D925-V928 PolarHBondContact O-N 3.37Å; V928-C930 PolarHBondContact O-N 3.04Å; V928-L931 PolarHBondContact O-N 2.69Å; V928-L932 HydrophobicContact CG1-CD1 3.72Å; V928-L932 HydrophobicContact CG1-CG 4.23Å; V928-L932 WeakPolarHBondContact O-CB 3.46Å; V928-L932 VanDerWaalsContact O-CG 3.3Å; V928-L932 WeakPolarHBondContact O-CG 3.33Å; V928-L932 PolarHBondContact O-N 2.99Å; V928-L982 HydrophobicContact CG1-CD2 3.82Å; V928-L982 HydrophobicContact CG2-CD1 3.92Å |
| 929 | N | 78 | Confident | 74.1 | Confident | 64 Ų | 64 | 43.2 Ų | 43.2 | 34% | 0.342 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -65.6 | -36.7 | 178.3 | -72.4 | -27.3 | 0 | 0 | 0 | 112.3 | Q879 D925 N926 N933 | Q879-N929 VanDerWaalsContact NE2-C 3.27Å; Q879-N929 PolarHBondContact NE2-O 2.82Å; D925-N929 WeakPolarHBondContact O-CB 3.34Å; D925-N929 PolarHBondContact O-N 2.62Å; D925-N929 PolarHBondContact O-ND2 3.25Å; N926-N929 PolarHBondContact O-N 3.24Å; N929-N933 VanDerWaalsContact O-CB 3.24Å; N929-N933 WeakPolarHBondContact O-CB 3.32Å; N929-N933 PolarHBondContact O-N 3.25Å |
| 930 | C | 77.3 | Confident | 72.8 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -62.4 | -46.1 | 172 | -77.8 | 0 | 0 | 0 | 0 | 111 | N878 Q879 N926 L927 V928 K934 I935 Y958 | N878-C930 VanDerWaalsContact C-SG 3.53Å; Q879-C930 VanDerWaalsContact CA-SG 3.59Å; Q879-C930 VanDerWaalsContact CG-SG 3.54Å; Q879-C930 PolarHBondContact N-SG 2.74Å; Q879-C930 VanDerWaalsContact N-SG 3.42Å; N926-C930 WeakPolarHBondContact O-CB 3.05Å; N926-C930 PolarHBondContact O-N 3.32Å; N926-C930 PolarHBondContact O-SG 3.22Å; L927-C930 PolarHBondContact O-N 3.39Å; V928-C930 PolarHBondContact O-N 3.04Å; C930-K934 WeakPolarHBondContact O-CB 3.38Å; C930-K934 PolarHBondContact O-N 3.14Å; C930-I935 PolarHBondContact O-N 3.39Å; C930-Y958 WeakPolarHBondContact CB-OH 3.35Å |
| 931 | L | 76.4 | Confident | 71.4 | Confident | 6 Ų | 6 | 44.8 Ų | 44.8 | 3% | 0.031 | 27% | 0.266 | C | S | . | . | I | π-helix | trans | -60.9 | -52.2 | 177.8 | -175 | 139.6 | 0 | 0 | 0 | 110.9 | L927 V928 I935 L936 Y958 L982 I986 | L927-L931 WeakPolarHBondContact O-CB 3.42Å; L927-L931 PolarHBondContact O-N 3.3Å; V928-L931 PolarHBondContact O-N 2.69Å; L931-I935 WeakPolarHBondContact O-CB 3.38Å; L931-I935 PolarHBondContact O-N 3.46Å; L931-L936 HydrophobicContact CD2-CD1 3.63Å; L931-L936 HydrophobicContact CD2-CG 3.89Å; L931-L936 HydrophobicContact CG-CG 4.29Å; L931-L936 WeakPolarHBondContact O-CB 2.82Å; L931-L936 VanDerWaalsContact O-CG 3.31Å; L931-L936 WeakPolarHBondContact O-CG 3.39Å; L931-L936 PolarHBondContact O-N 2.88Å; L931-Y958 HydrophobicContact CB-CD1 4.3Å; L931-Y958 HydrophobicContact CB-CE1 4.14Å; L931-Y958 HydrophobicContact CD1-CD1 3.59Å; L931-Y958 HydrophobicContact CD1-CE1 4.28Å; L931-Y958 HydrophobicContact CD1-CG 3.74Å; L931-L982 HydrophobicContact CD2-CD2 4.47Å; L931-I986 HydrophobicContact CD1-CD1 3.97Å; L931-I986 HydrophobicContact CD1-CG1 4.32Å; L931-I986 HydrophobicContact CD2-CD1 4.3Å; L931-I986 HydrophobicContact CD2-CG1 3.98Å |
| 932 | L | 74.7 | Confident | 69.9 | Low | 46 Ų | 46 | 48.9 Ų | 48.9 | 24% | 0.241 | 28% | 0.277 | C | S | . | . | I | π-helix | trans | -69.5 | -49.3 | -176.3 | -63.6 | 178.8 | 0 | 0 | 0 | 113.8 | V928 L936 S937 L982 Q985 | V928-L932 HydrophobicContact CG1-CD1 3.72Å; V928-L932 HydrophobicContact CG1-CG 4.23Å; V928-L932 WeakPolarHBondContact O-CB 3.46Å; V928-L932 VanDerWaalsContact O-CG 3.3Å; V928-L932 WeakPolarHBondContact O-CG 3.33Å; V928-L932 PolarHBondContact O-N 2.99Å; L932-L936 HydrophobicContact CD2-CD1 4.14Å; L932-S937 PolarHBondContact O-N 3.19Å; L932-L982 HydrophobicContact CD1-CD2 4.21Å; L932-L982 HydrophobicContact CD2-CD2 4.02Å; L932-L982 HydrophobicContact CG-CD2 4.26Å; L932-Q985 HydrophobicContact CD2-CB 4.41Å |
| 933 | N | 73.5 | Confident | 68.5 | Low | 77 Ų | 77 | 53.7 Ų | 53.7 | 41% | 0.412 | 31% | 0.305 | S | S | . | . | I | π-helix | trans | -90 | -13.6 | -167.6 | -60.8 | -11 | 0 | 0 | 0 | 114.1 | Q879 N929 S937 | Q879-N933 PolarHBondContact NE2-ND2 2.99Å; N929-N933 VanDerWaalsContact O-CB 3.24Å; N929-N933 WeakPolarHBondContact O-CB 3.32Å; N929-N933 PolarHBondContact O-N 3.25Å; N933-S937 PolarHBondContact O-OG 3.23Å |
| 934 | K | 71.2 | Confident | 67 | Low | 24 Ų | 24 | 56 Ų | 56 | 10% | 0.104 | 32% | 0.319 | C | S | . | . | I | π-helix | trans | -123.4 | -45.7 | -177.2 | -62 | -67.7 | 179.3 | 179.6 | 0 | 112.9 | F882 E883 C930 | F882-K934 HydrophobicContact CD1-CB 4.06Å; F882-K934 HydrophobicContact CD1-CG 4.42Å; F882-K934 HydrophobicContact CE1-CB 3.98Å; E883-K934 WeakPolarHBondContact OE1-CE 3.44Å; E883-K934 IonicContact OE1-NZ 2.6Å; E883-K934 PolarHBondContact OE1-NZ 3Å; C930-K934 WeakPolarHBondContact O-CB 3.38Å; C930-K934 PolarHBondContact O-N 3.14Å |
| 935 | I | 69 | Low | 65.9 | Low | 2 Ų | 2 | 62.3 Ų | 62.3 | 1% | 0.01 | 35% | 0.354 | C | S | . | . | I | π-helix | trans | -81.4 | -47.6 | -177.3 | -55.6 | 174.5 | 0 | 0 | 0 | 110.3 | F882 C930 L931 K951 L954 Y958 | F882-I935 HydrophobicContact CE2-CD1 4.36Å; F882-I935 HydrophobicContact CE2-CG1 4.34Å; F882-I935 HydrophobicContact CZ-CD1 4.43Å; F882-I935 HydrophobicContact CZ-CG1 3.93Å; C930-I935 PolarHBondContact O-N 3.39Å; L931-I935 WeakPolarHBondContact O-CB 3.38Å; L931-I935 PolarHBondContact O-N 3.46Å; I935-K951 HydrophobicContact CG2-CG 4.18Å; I935-K951 WeakPolarHBondContact O-CE 3.39Å; I935-K951 PolarHBondContact O-NZ 3.19Å; I935-L954 HydrophobicContact CD1-CB 4.12Å; I935-L954 HydrophobicContact CD1-CD1 4.44Å; I935-L954 HydrophobicContact CG1-CD1 4.4Å; I935-L954 HydrophobicContact CG2-CB 4.37Å; I935-Y958 HydrophobicContact CD1-CD2 3.86Å; I935-Y958 HydrophobicContact CD1-CE2 3.4Å; I935-Y958 VanDerWaalsContact CD1-CE2 3.4Å |
| 936 | L | 69.2 | Low | 65.1 | Low | 14 Ų | 14 | 59.4 Ų | 59.4 | 7% | 0.073 | 34% | 0.338 | C | S | . | . | S | Bend | trans | -87.5 | -24.3 | -174.7 | -58.5 | -160.9 | 0 | 0 | 0 | 114.2 | L931 L932 N938 Q985 I986 S989 | L931-L936 HydrophobicContact CD2-CD1 3.63Å; L931-L936 HydrophobicContact CD2-CG 3.89Å; L931-L936 HydrophobicContact CG-CG 4.29Å; L931-L936 WeakPolarHBondContact O-CB 2.82Å; L931-L936 VanDerWaalsContact O-CG 3.31Å; L931-L936 WeakPolarHBondContact O-CG 3.39Å; L931-L936 PolarHBondContact O-N 2.88Å; L932-L936 HydrophobicContact CD2-CD1 4.14Å; L936-N938 PolarHBondContact O-N 3.08Å; L936-Q985 HydrophobicContact CD1-CB 4.01Å; L936-I986 HydrophobicContact CD1-CB 4.46Å; L936-I986 HydrophobicContact CD1-CG1 3.93Å; L936-I986 HydrophobicContact CD2-CG1 4.29Å; L936-S989 VanDerWaalsContact CD2-OG 3.23Å; L936-S989 WeakPolarHBondContact CD2-OG 3.33Å |
| 937 | S | 67.2 | Low | 64.4 | Low | 39 Ų | 39 | 63 Ų | 63 | 27% | 0.273 | 36% | 0.357 | S | S | . | . | trans | -67 | 122.4 | -175.6 | 67.1 | 0 | 0 | 0 | 0 | 112.3 | L932 N933 N939 | L932-S937 PolarHBondContact O-N 3.19Å; N933-S937 PolarHBondContact O-OG 3.23Å; S937-N939 PolarHBondContact O-N 3.34Å | ||
| 938 | N | 56.6 | Low | 63.6 | Low | 73 Ų | 73 | 67.3 Ų | 67.3 | 39% | 0.39 | 39% | 0.388 | S | S | . | . | trans | -86.9 | 11.6 | 172.2 | -67.8 | -16.1 | 0 | 0 | 0 | 112.6 | L936 S940 K951 T993 | L936-N938 PolarHBondContact O-N 3.08Å; N938-S940 PolarHBondContact O-N 3Å; N938-S940 VanDerWaalsContact O-N 3.13Å; N938-K951 PolarHBondContact OD1-NZ 2.7Å; N938-T993 WeakPolarHBondContact OD1-CG2 3.41Å | ||
| 939 | N | 51.7 | Low | 63 | Low | 113 Ų | 113 | 70.8 Ų | 70.8 | 60% | 0.604 | 40% | 0.401 | S | S | * | . | trans | -69.2 | 113.6 | -177.4 | -78.5 | -6.7 | 0 | 0 | 0 | 110 | S937 S941 | S937-N939 PolarHBondContact O-N 3.34Å; N939-S941 PolarHBondContact O-N 3.46Å | ||
| 940 | S | 50.6 | Low | 62.5 | Low | 128 Ų | 128 | 69.6 Ų | 69.6 | 90% | 0.895 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -0.2 | 176.7 | 53.7 | 0 | 0 | 0 | 0 | 114.8 | N938 | N938-S940 PolarHBondContact O-N 3Å; N938-S940 VanDerWaalsContact O-N 3.13Å |
| 941 | S | 49.3 | Very low | 62.1 | Low | 91 Ų | 91 | 70.5 Ų | 70.5 | 64% | 0.636 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.9 | -1.4 | -179.5 | 61.6 | 0 | 0 | 0 | 0 | 114.6 | N939 | N939-S941 PolarHBondContact O-N 3.46Š|
| 942 | Y | 48.9 | Very low | 61.7 | Low | 118 Ų | 118 | 72.2 Ų | 72.2 | 46% | 0.463 | 41% | 0.407 | S | S | . | . | S | Bend | trans | -112.7 | 138.6 | 177.5 | -71.6 | -75.1 | 0 | 0 | 0 | 111.9 | T944 | Y942-T944 VanDerWaalsContact C-N 3.34Å; Y942-T944 PolarHBondContact O-N 3.36Å |
| 943 | P | 48.8 | Very low | 61.3 | Low | 118 Ų | 118 | 72 Ų | 72 | 77% | 0.766 | 41% | 0.405 | S | S | * | . | S | Bend | trans | -79.8 | -7.4 | -164.6 | 31.5 | -35.6 | 0 | 0 | 0 | 115 | N945 | P943-N945 PolarHBondContact O-N 3.3Š|
| 944 | T | 52 | Low | 61.2 | Low | 49 Ų | 49 | 68.4 Ų | 68.4 | 30% | 0.301 | 39% | 0.385 | S | S | . | . | trans | -91.4 | 86.6 | -178.8 | 55.4 | 0 | 0 | 0 | 0 | 110.3 | Y942 L946 | Y942-T944 VanDerWaalsContact C-N 3.34Å; Y942-T944 PolarHBondContact O-N 3.36Å; T944-L946 VanDerWaalsContact C-N 3.27Å; T944-L946 PolarHBondContact O-N 3.4Å | ||
| 945 | N | 55 | Low | 61.4 | Low | 156 Ų | 156 | 67.2 Ų | 67.2 | 83% | 0.834 | 38% | 0.38 | S | S | * | . | trans | -64.4 | 91.7 | 163.4 | -84 | -11.1 | 0 | 0 | 0 | 108.3 | P943 N947 | P943-N945 PolarHBondContact O-N 3.3Å; N945-N947 PolarHBondContact O-N 2.91Å | ||
| 946 | L | 61 | Low | 61.5 | Low | 35 Ų | 35 | 67.3 Ų | 67.3 | 18% | 0.183 | 38% | 0.38 | C | S | . | . | trans | -65 | 124.1 | 171.1 | -68.5 | 166.1 | 0 | 0 | 0 | 108.1 | F882 T944 S948 L950 L954 | F882-L946 HydrophobicContact CE1-CD1 4.43Å; F882-L946 HydrophobicContact CZ-CD1 4.38Å; F882-L946 HydrophobicContact CZ-CD2 4.45Å; T944-L946 VanDerWaalsContact C-N 3.27Å; T944-L946 PolarHBondContact O-N 3.4Å; L946-S948 PolarHBondContact O-N 3.26Å; L946-L950 HydrophobicContact CD2-CD2 3.53Å; L946-L954 HydrophobicContact CD2-CD1 4.47Å | ||
| 947 | N | 64.6 | Low | 61.6 | Low | 125 Ų | 125 | 67 Ų | 67 | 67% | 0.668 | 38% | 0.38 | S | S | * | . | trans | -52.7 | 137.5 | 169.4 | -75.9 | -9.5 | 0 | 0 | 0 | 109 | N945 E949 L950 K951 | N945-N947 PolarHBondContact O-N 2.91Å; N947-E949 PolarHBondContact O-N 2.92Å; N947-E949 VanDerWaalsContact O-N 3.13Å; N947-L950 HydrophobicContact CB-CB 4.39Å; N947-L950 PolarHBondContact O-N 3.09Å; N947-K951 PolarHBondContact O-N 3.09Å | ||
| 948 | S | 64.3 | Low | 62.3 | Low | 95 Ų | 95 | 65.4 Ų | 65.4 | 66% | 0.664 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -51.1 | -40.9 | -178.3 | 53.2 | 0 | 0 | 0 | 0 | 111.8 | L946 L950 K951 I952 | L946-S948 PolarHBondContact O-N 3.26Å; S948-L950 PolarHBondContact O-N 3.44Å; S948-K951 PolarHBondContact O-N 2.91Å; S948-I952 WeakPolarHBondContact O-CD1 3.39Å; S948-I952 VanDerWaalsContact O-CG1 3.22Å; S948-I952 WeakPolarHBondContact O-CG1 3.03Å; S948-I952 PolarHBondContact O-N 3.05Å; S948-I952 VanDerWaalsContact O-N 3.08Å |
| 949 | E | 64 | Low | 63.3 | Low | 113 Ų | 113 | 61.9 Ų | 61.9 | 53% | 0.528 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -61.2 | -42.1 | 176.3 | -160.3 | -169 | 152.3 | 0 | 0 | 113 | N947 I952 K953 | N947-E949 PolarHBondContact O-N 2.92Å; N947-E949 VanDerWaalsContact O-N 3.13Å; E949-I952 PolarHBondContact O-N 3.2Å; E949-K953 VanDerWaalsContact O-CG 3.31Å; E949-K953 WeakPolarHBondContact O-CG 3.29Å; E949-K953 PolarHBondContact O-N 3.1Å; E949-K953 WeakPolarHBondContact OE1-CE 3.38Å; E949-K953 IonicContact OE1-NZ 2.73Å; E949-K953 PolarHBondContact OE1-NZ 3.25Å |
| 950 | L | 66.2 | Low | 64.4 | Low | 40 Ų | 40 | 58 Ų | 58 | 21% | 0.209 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -71.9 | -35.6 | 179.7 | -166.3 | 138.6 | 0 | 0 | 0 | 111.5 | L538 L946 N947 S948 I952 K953 L954 | L538-L950 HydrophobicContact CD1-CD1 4.36Å; L946-L950 HydrophobicContact CD2-CD2 3.53Å; N947-L950 HydrophobicContact CB-CB 4.39Å; N947-L950 PolarHBondContact O-N 3.09Å; S948-L950 PolarHBondContact O-N 3.44Å; L950-I952 VanDerWaalsContact C-N 3.32Å; L950-I952 PolarHBondContact O-N 2.91Å; L950-K953 PolarHBondContact O-N 3.42Å; L950-L954 HydrophobicContact CD2-CD1 3.59Å; L950-L954 HydrophobicContact CD2-CG 4.18Å; L950-L954 WeakPolarHBondContact O-CB 3.31Å; L950-L954 WeakPolarHBondContact O-CG 3.1Å; L950-L954 PolarHBondContact O-N 3.04Å |
| 951 | K | 69.1 | Low | 65.9 | Low | 19 Ų | 19 | 52.1 Ų | 52.1 | 8% | 0.083 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -58.6 | -44 | 170.7 | -179.2 | 173.1 | 175.4 | 167.1 | 0 | 111.1 | I935 N938 N947 S948 L954 C955 | I935-K951 HydrophobicContact CG2-CG 4.18Å; I935-K951 WeakPolarHBondContact O-CE 3.39Å; I935-K951 PolarHBondContact O-NZ 3.19Å; N938-K951 PolarHBondContact OD1-NZ 2.7Å; N947-K951 PolarHBondContact O-N 3.09Å; S948-K951 PolarHBondContact O-N 2.91Å; K951-L954 PolarHBondContact O-N 3.14Å; K951-C955 PolarHBondContact O-N 2.95Å; K951-C955 PolarHBondContact O-SG 2.93Å; K951-C955 VanDerWaalsContact O-SG 3.32Å |
| 952 | I | 67.9 | Low | 67.3 | Low | 42 Ų | 42 | 48.3 Ų | 48.3 | 22% | 0.215 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -62.2 | -47.6 | 177.6 | -64.8 | 164.7 | 0 | 0 | 0 | 110.9 | S948 E949 L950 L954 C955 T956 P1011 L1014 | S948-I952 WeakPolarHBondContact O-CD1 3.39Å; S948-I952 VanDerWaalsContact O-CG1 3.22Å; S948-I952 WeakPolarHBondContact O-CG1 3.03Å; S948-I952 PolarHBondContact O-N 3.05Å; S948-I952 VanDerWaalsContact O-N 3.08Å; E949-I952 PolarHBondContact O-N 3.2Å; L950-I952 VanDerWaalsContact C-N 3.32Å; L950-I952 PolarHBondContact O-N 2.91Å; I952-L954 VanDerWaalsContact C-N 3.31Å; I952-L954 PolarHBondContact O-N 3.5Å; I952-C955 WeakPolarHBondContact O-CB 3.37Å; I952-C955 PolarHBondContact O-N 3.46Å; I952-T956 PolarHBondContact O-N 3.4Å; I952-P1011 HydrophobicContact CB-CB 4.47Å; I952-P1011 HydrophobicContact CB-CG 4.28Å; I952-P1011 HydrophobicContact CD1-CB 3.79Å; I952-P1011 HydrophobicContact CD1-CG 3.96Å; I952-P1011 HydrophobicContact CG1-CB 4.13Å; I952-P1011 HydrophobicContact CG1-CG 3.81Å; I952-P1011 HydrophobicContact CG2-CB 3.55Å; I952-P1011 HydrophobicContact CG2-CG 3.53Å; I952-L1014 HydrophobicContact CG2-CG 4.42Å |
| 953 | K | 67.6 | Low | 68.7 | Low | 42 Ų | 42 | 43.2 Ų | 43.2 | 18% | 0.183 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.3 | -36.1 | 178.9 | -69.3 | 174.4 | -176 | 178.4 | 0 | 113.2 | L539 E949 L950 T956 A957 | L539-K953 HydrophobicContact CD1-CD 4.22Å; L539-K953 HydrophobicContact CD2-CD 3.88Å; L539-K953 HydrophobicContact CD2-CG 3.79Å; L539-K953 HydrophobicContact CG-CD 3.83Å; L539-K953 HydrophobicContact CG-CG 4.32Å; E949-K953 VanDerWaalsContact O-CG 3.31Å; E949-K953 WeakPolarHBondContact O-CG 3.29Å; E949-K953 PolarHBondContact O-N 3.1Å; E949-K953 WeakPolarHBondContact OE1-CE 3.38Å; E949-K953 IonicContact OE1-NZ 2.73Å; E949-K953 PolarHBondContact OE1-NZ 3.25Å; L950-K953 PolarHBondContact O-N 3.42Å; K953-T956 WeakPolarHBondContact CA-OG1 3.18Å; K953-T956 PolarHBondContact O-OG1 3.45Å; K953-A957 PolarHBondContact O-N 3.31Å |
| 954 | L | 72 | Confident | 70 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -68.3 | -45.8 | 173.9 | -75.8 | 170.7 | 0 | 0 | 0 | 110.9 | F882 I890 I935 L946 L950 K951 I952 T956 A957 Y958 | F882-L954 HydrophobicContact CE2-CD1 3.69Å; F882-L954 HydrophobicContact CE2-CD2 3.95Å; F882-L954 HydrophobicContact CE2-CG 4.49Å; F882-L954 HydrophobicContact CZ-CD1 3.5Å; I890-L954 HydrophobicContact CD1-CD2 3.62Å; I890-L954 HydrophobicContact CG1-CD2 3.64Å; I935-L954 HydrophobicContact CD1-CB 4.12Å; I935-L954 HydrophobicContact CD1-CD1 4.44Å; I935-L954 HydrophobicContact CG1-CD1 4.4Å; I935-L954 HydrophobicContact CG2-CB 4.37Å; L946-L954 HydrophobicContact CD2-CD1 4.47Å; L950-L954 HydrophobicContact CD2-CD1 3.59Å; L950-L954 HydrophobicContact CD2-CG 4.18Å; L950-L954 WeakPolarHBondContact O-CB 3.31Å; L950-L954 WeakPolarHBondContact O-CG 3.1Å; L950-L954 PolarHBondContact O-N 3.04Å; K951-L954 PolarHBondContact O-N 3.14Å; I952-L954 VanDerWaalsContact C-N 3.31Å; I952-L954 PolarHBondContact O-N 3.5Å; L954-T956 VanDerWaalsContact C-N 3.3Å; L954-T956 PolarHBondContact O-N 3.48Å; L954-A957 PolarHBondContact O-N 2.9Å; L954-Y958 WeakPolarHBondContact O-CD2 3.5Å; L954-Y958 PolarHBondContact O-N 3.27Å |
| 955 | C | 73.8 | Confident | 71.4 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -58 | -41.1 | 175.4 | -71.2 | 0 | 0 | 0 | 0 | 112 | K951 I952 A957 Y958 L959 L1014 | K951-C955 PolarHBondContact O-N 2.95Å; K951-C955 PolarHBondContact O-SG 2.93Å; K951-C955 VanDerWaalsContact O-SG 3.32Å; I952-C955 WeakPolarHBondContact O-CB 3.37Å; I952-C955 PolarHBondContact O-N 3.46Å; C955-A957 PolarHBondContact O-N 3.04Å; C955-Y958 PolarHBondContact O-N 3.48Å; C955-L959 WeakPolarHBondContact O-CB 3.21Å; C955-L959 VanDerWaalsContact O-CG 3.25Å; C955-L959 WeakPolarHBondContact O-CG 3.34Å; C955-L959 PolarHBondContact O-N 3.36Å; C955-L1014 HydrophobicContact CB-CD1 4.32Å; C955-L1014 HydrophobicContact CB-CD2 3.7Å |
| 956 | T | 70.9 | Confident | 72.3 | Confident | 3 Ų | 3 | 28.9 Ų | 28.9 | 2% | 0.018 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -62 | -45.4 | 176.6 | 53 | 0 | 0 | 0 | 0 | 111.4 | F543 I952 K953 L954 Y958 L959 I960 N1013 L1014 | F543-T956 HydrophobicContact CZ-CG2 4.14Å; I952-T956 PolarHBondContact O-N 3.4Å; K953-T956 WeakPolarHBondContact CA-OG1 3.18Å; K953-T956 PolarHBondContact O-OG1 3.45Å; L954-T956 VanDerWaalsContact C-N 3.3Å; L954-T956 PolarHBondContact O-N 3.48Å; T956-Y958 VanDerWaalsContact C-N 3.34Å; T956-Y958 PolarHBondContact O-N 3.48Å; T956-L959 PolarHBondContact O-N 3.3Å; T956-I960 WeakPolarHBondContact O-CD1 3.03Å; T956-I960 VanDerWaalsContact O-CG1 3.28Å; T956-I960 WeakPolarHBondContact O-CG1 3.39Å; T956-I960 PolarHBondContact O-N 2.95Å; T956-N1013 HydrophobicContact CG2-CB 4.06Å; T956-L1014 HydrophobicContact CG2-CD2 3.28Å; T956-L1014 HydrophobicContact CG2-CG 3.94Å; T956-L1014 VanDerWaalsContact N-CD2 3.32Å |
| 957 | A | 72.9 | Confident | 73.1 | Confident | 8 Ų | 8 | 32 Ų | 32 | 7% | 0.066 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -61.4 | -42.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | V542 L893 K953 L954 C955 I960 F961 | V542-A957 HydrophobicContact CB-CB 4.45Å; V542-A957 HydrophobicContact CG1-CB 3.75Å; V542-A957 HydrophobicContact CG2-CB 3.78Å; L893-A957 HydrophobicContact CD2-CB 4.07Å; K953-A957 PolarHBondContact O-N 3.31Å; L954-A957 PolarHBondContact O-N 2.9Å; C955-A957 PolarHBondContact O-N 3.04Å; A957-I960 PolarHBondContact O-N 3.21Å; A957-F961 PolarHBondContact O-N 2.71Å |
| 958 | Y | 81.3 | Confident | 73.6 | Confident | 5 Ų | 5 | 26.2 Ų | 26.2 | 2% | 0.02 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -66.7 | -40 | 175.5 | -89.2 | -94.7 | 0 | 0 | 0 | 112.5 | H889 L893 L927 C930 L931 I935 L954 C955 T956 F961 L962 | H889-Y958 AromaticContact CE1-CZ 3.92Å; H889-Y958 PolarHBondContact CE1-OH 2.94Å; L893-Y958 HydrophobicContact CD2-CD2 3.86Å; L893-Y958 HydrophobicContact CD2-CE2 3.98Å; L893-Y958 HydrophobicContact CD2-CG 4.22Å; L927-Y958 HydrophobicContact CB-CE1 4.18Å; L927-Y958 HydrophobicContact CD2-CE1 3.99Å; L927-Y958 WeakPolarHBondContact O-CE1 3.45Å; C930-Y958 WeakPolarHBondContact CB-OH 3.35Å; L931-Y958 HydrophobicContact CB-CD1 4.3Å; L931-Y958 HydrophobicContact CB-CE1 4.14Å; L931-Y958 HydrophobicContact CD1-CD1 3.59Å; L931-Y958 HydrophobicContact CD1-CE1 4.28Å; L931-Y958 HydrophobicContact CD1-CG 3.74Å; I935-Y958 HydrophobicContact CD1-CD2 3.86Å; I935-Y958 HydrophobicContact CD1-CE2 3.4Å; I935-Y958 VanDerWaalsContact CD1-CE2 3.4Å; L954-Y958 WeakPolarHBondContact O-CD2 3.5Å; L954-Y958 PolarHBondContact O-N 3.27Å; C955-Y958 PolarHBondContact O-N 3.48Å; T956-Y958 VanDerWaalsContact C-N 3.34Å; T956-Y958 PolarHBondContact O-N 3.48Å; Y958-F961 PolarHBondContact O-N 3.16Å; Y958-L962 WeakPolarHBondContact O-CB 3.31Å; Y958-L962 VanDerWaalsContact O-CG 3.25Å; Y958-L962 WeakPolarHBondContact O-CG 3.48Å; Y958-L962 PolarHBondContact O-N 3.03Å |
| 959 | L | 77.1 | Confident | 74.1 | Confident | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -65.4 | -40.5 | 176.4 | -71.5 | 166.2 | 0 | 0 | 0 | 111.8 | C955 T956 F961 L962 A963 I986 L1014 P1017 I1018 I1021 | C955-L959 WeakPolarHBondContact O-CB 3.21Å; C955-L959 VanDerWaalsContact O-CG 3.25Å; C955-L959 WeakPolarHBondContact O-CG 3.34Å; C955-L959 PolarHBondContact O-N 3.36Å; T956-L959 PolarHBondContact O-N 3.3Å; L959-F961 VanDerWaalsContact C-N 3.35Å; L959-F961 PolarHBondContact O-N 3.44Å; L959-L962 PolarHBondContact O-N 2.91Å; L959-A963 WeakPolarHBondContact O-CB 3.49Å; L959-A963 PolarHBondContact O-N 2.98Å; L959-I986 HydrophobicContact CD2-CD1 3.88Å; L959-I986 HydrophobicContact CG-CD1 4.45Å; L959-L1014 HydrophobicContact CD1-CB 4.32Å; L959-L1014 HydrophobicContact CD1-CD2 3.49Å; L959-L1014 VanDerWaalsContact CD1-CD2 3.49Å; L959-L1014 HydrophobicContact CD1-CG 4.45Å; L959-P1017 HydrophobicContact CB-CB 3.63Å; L959-P1017 HydrophobicContact CD1-CB 4.36Å; L959-I1018 HydrophobicContact CD1-CD1 4.19Å; L959-I1018 HydrophobicContact CD1-CG1 3.76Å; L959-I1018 HydrophobicContact CD2-CG1 4.09Å; L959-I1021 HydrophobicContact CB-CD1 4.25Å; L959-I1021 HydrophobicContact CD2-CD1 3.7Å |
| 960 | I | 74.8 | Confident | 74.3 | Confident | 32 Ų | 32 | 17.7 Ų | 17.7 | 16% | 0.164 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -61.4 | -46.7 | 175 | -66.4 | 160.8 | 0 | 0 | 0 | 110.2 | V542 F543 T956 A957 L962 A963 T964 P1017 | V542-I960 HydrophobicContact CG1-CD1 3.6Å; F543-I960 HydrophobicContact CD1-CD1 4.05Å; F543-I960 HydrophobicContact CE1-CD1 3.47Å; F543-I960 VanDerWaalsContact CE1-CD1 3.47Å; F543-I960 HydrophobicContact CE2-CD1 4.43Å; F543-I960 HydrophobicContact CZ-CD1 3.7Å; T956-I960 WeakPolarHBondContact O-CD1 3.03Å; T956-I960 VanDerWaalsContact O-CG1 3.28Å; T956-I960 WeakPolarHBondContact O-CG1 3.39Å; T956-I960 PolarHBondContact O-N 2.95Å; A957-I960 PolarHBondContact O-N 3.21Å; I960-L962 VanDerWaalsContact C-N 3.33Å; I960-L962 PolarHBondContact O-N 2.94Å; I960-A963 WeakPolarHBondContact O-CB 3.48Å; I960-A963 PolarHBondContact O-N 3Å; I960-T964 WeakPolarHBondContact O-CG2 3.25Å; I960-T964 PolarHBondContact O-N 3.28Å; I960-T964 PolarHBondContact O-OG1 2.89Å; I960-P1017 HydrophobicContact CG1-CB 4.43Å; I960-P1017 HydrophobicContact CG1-CG 4.18Å |
| 961 | F | 81.4 | Confident | 74.3 | Confident | 3 Ų | 3 | 19.2 Ų | 19.2 | 1% | 0.013 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -59.9 | -41.9 | 174.6 | 169.8 | -98.1 | 0 | 0 | 0 | 112.3 | L893 L896 N897 I900 M924 L927 A957 Y958 L959 A963 T964 F965 | L893-F961 HydrophobicContact CD1-CB 4.03Å; L893-F961 HydrophobicContact CD1-CD1 4.2Å; L893-F961 HydrophobicContact CD1-CD2 4.03Å; L893-F961 HydrophobicContact CD1-CG 3.8Å; L893-F961 HydrophobicContact CG-CB 4.42Å; L896-F961 HydrophobicContact CD2-CD2 4.45Å; L896-F961 HydrophobicContact CD2-CE2 3.54Å; L896-F961 HydrophobicContact CD2-CZ 3.9Å; L896-F961 HydrophobicContact CG-CE2 3.86Å; N897-F961 HydrophobicContact CB-CD2 4.21Å; I900-F961 HydrophobicContact CD1-CE2 3.68Å; I900-F961 HydrophobicContact CD1-CZ 4.38Å; M924-F961 HydrophobicContact CE-CE1 4.21Å; M924-F961 HydrophobicContact SD-CE1 4.2Å; M924-F961 HydrophobicContact SD-CZ 4.04Å; L927-F961 HydrophobicContact CD1-CD1 4.37Å; L927-F961 HydrophobicContact CD1-CE1 3.63Å; L927-F961 HydrophobicContact CD1-CZ 3.77Å; A957-F961 PolarHBondContact O-N 2.71Å; Y958-F961 PolarHBondContact O-N 3.16Å; L959-F961 VanDerWaalsContact C-N 3.35Å; L959-F961 PolarHBondContact O-N 3.44Å; F961-A963 VanDerWaalsContact C-N 3.35Å; F961-T964 PolarHBondContact O-N 2.94Å; F961-T964 PolarHBondContact O-OG1 3.38Å; F961-F965 HydrophobicContact CZ-CD2 4.18Å; F961-F965 WeakPolarHBondContact O-CB 3.35Å; F961-F965 PolarHBondContact O-N 2.99Å |
| 962 | L | 79.6 | Confident | 73.8 | Confident | 12 Ų | 12 | 20.3 Ų | 20.3 | 6% | 0.063 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -65.3 | -39.2 | 176.7 | -73.7 | 169.7 | 0 | 0 | 0 | 111.5 | Y958 L959 I960 F965 V966 I1021 | Y958-L962 WeakPolarHBondContact O-CB 3.31Å; Y958-L962 VanDerWaalsContact O-CG 3.25Å; Y958-L962 WeakPolarHBondContact O-CG 3.48Å; Y958-L962 PolarHBondContact O-N 3.03Å; L959-L962 PolarHBondContact O-N 2.91Å; I960-L962 VanDerWaalsContact C-N 3.33Å; I960-L962 PolarHBondContact O-N 2.94Å; L962-F965 PolarHBondContact O-N 2.84Å; L962-V966 WeakPolarHBondContact O-CB 3.37Å; L962-V966 VanDerWaalsContact O-CG2 3.24Å; L962-V966 WeakPolarHBondContact O-CG2 3.39Å; L962-V966 PolarHBondContact O-N 2.9Å; L962-I1021 HydrophobicContact CB-CD1 4.08Å |
| 963 | A | 78 | Confident | 73.4 | Confident | 11 Ų | 11 | 23.2 Ų | 23.2 | 9% | 0.091 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -61.4 | -49 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | L959 I960 F961 V966 R967 I1021 | L959-A963 WeakPolarHBondContact O-CB 3.49Å; L959-A963 PolarHBondContact O-N 2.98Å; I960-A963 WeakPolarHBondContact O-CB 3.48Å; I960-A963 PolarHBondContact O-N 3Å; F961-A963 VanDerWaalsContact C-N 3.35Å; A963-V966 PolarHBondContact O-N 2.91Å; A963-R967 VanDerWaalsContact O-CB 3.24Å; A963-R967 WeakPolarHBondContact O-CB 3.06Å; A963-R967 PolarHBondContact O-N 2.91Å; A963-I1021 HydrophobicContact CB-CD1 4.41Å; A963-I1021 HydrophobicContact CB-CG1 3.63Å |
| 964 | T | 76.9 | Confident | 73.1 | Confident | 14 Ų | 14 | 27.7 Ų | 27.7 | 9% | 0.086 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -68 | -38.3 | 177.7 | 60.4 | 0 | 0 | 0 | 0 | 112.3 | N897 L901 I960 F961 R967 I968 | N897-T964 WeakPolarHBondContact OD1-CB 3.35Å; N897-T964 WeakPolarHBondContact OD1-CG2 3.36Å; N897-T964 PolarHBondContact OD1-OG1 3.21Å; L901-T964 HydrophobicContact CD1-CG2 4.19Å; L901-T964 HydrophobicContact CD2-CG2 3.52Å; L901-T964 HydrophobicContact CG-CG2 3.92Å; I960-T964 WeakPolarHBondContact O-CG2 3.25Å; I960-T964 PolarHBondContact O-N 3.28Å; I960-T964 PolarHBondContact O-OG1 2.89Å; F961-T964 PolarHBondContact O-N 2.94Å; F961-T964 PolarHBondContact O-OG1 3.38Å; T964-R967 PolarHBondContact O-N 2.96Å; T964-I968 WeakPolarHBondContact O-CB 3.39Å; T964-I968 PolarHBondContact O-N 2.95Å |
| 965 | F | 80.3 | Confident | 72.6 | Confident | 6 Ų | 6 | 28.5 Ų | 28.5 | 3% | 0.026 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -59.5 | -47.1 | 174.7 | -178.7 | -89.6 | 0 | 0 | 0 | 110.9 | Y915 M924 F961 L962 L969 S970 | Y915-F965 HydrophobicContact CD2-CE2 4.46Å; Y915-F965 AromaticContact CD2-CZ 3.82Å; Y915-F965 HydrophobicContact CD2-CZ 3.82Å; Y915-F965 HydrophobicContact CE2-CE1 4.45Å; Y915-F965 AromaticContact CE2-CZ 3.89Å; Y915-F965 HydrophobicContact CE2-CZ 3.89Å; M924-F965 HydrophobicContact CE-CD1 4.4Å; M924-F965 HydrophobicContact CE-CD2 4.09Å; M924-F965 HydrophobicContact CE-CE1 4.06Å; M924-F965 HydrophobicContact CE-CE2 3.73Å; M924-F965 HydrophobicContact CE-CG 4.42Å; M924-F965 HydrophobicContact CE-CZ 3.71Å; M924-F965 HydrophobicContact CG-CE2 4.48Å; M924-F965 HydrophobicContact SD-CD2 4.19Å; M924-F965 HydrophobicContact SD-CE2 3.72Å; M924-F965 HydrophobicContact SD-CZ 4.2Å; F961-F965 HydrophobicContact CZ-CD2 4.18Å; F961-F965 WeakPolarHBondContact O-CB 3.35Å; F961-F965 PolarHBondContact O-N 2.99Å; L962-F965 PolarHBondContact O-N 2.84Å; F965-L969 HydrophobicContact CD2-CB 4.45Å; F965-L969 HydrophobicContact CD2-CD1 3.69Å; F965-L969 HydrophobicContact CE2-CB 4.41Å; F965-L969 HydrophobicContact CE2-CD1 3.76Å; F965-L969 WeakPolarHBondContact O-CA 3.4Å; F965-L969 WeakPolarHBondContact O-CB 3.38Å; F965-L969 PolarHBondContact O-N 3.04Å; F965-S970 PolarHBondContact O-N 3.44Å |
| 966 | V | 75.3 | Confident | 72 | Confident | 1 Ų | 1 | 28.5 Ų | 28.5 | 1% | 0.006 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -62.8 | -51.8 | 174.8 | 172.5 | 0 | 0 | 0 | 0 | 110.1 | L962 A963 I968 S970 L976 I979 L1024 | L962-V966 WeakPolarHBondContact O-CB 3.37Å; L962-V966 VanDerWaalsContact O-CG2 3.24Å; L962-V966 WeakPolarHBondContact O-CG2 3.39Å; L962-V966 PolarHBondContact O-N 2.9Å; A963-V966 PolarHBondContact O-N 2.91Å; V966-I968 VanDerWaalsContact C-N 3.29Å; V966-I968 PolarHBondContact O-N 3.24Å; V966-S970 WeakPolarHBondContact O-CB 3.38Å; V966-S970 PolarHBondContact O-N 3.09Å; V966-S970 PolarHBondContact O-OG 3.49Å; V966-L976 HydrophobicContact CG1-CD2 4.07Å; V966-L976 HydrophobicContact CG2-CD2 4.36Å; V966-I979 HydrophobicContact CG2-CD1 3.37Å; V966-I979 HydrophobicContact CG2-CG2 4.41Å; V966-L1024 HydrophobicContact CB-CD1 4.37Å; V966-L1024 HydrophobicContact CG1-CB 3.81Å; V966-L1024 HydrophobicContact CG1-CD1 4.14Å |
| 967 | R | 76.9 | Confident | 71.8 | Confident | 101 Ų | 101 | 31.5 Ų | 31.5 | 38% | 0.381 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -57.3 | -39.4 | -175 | -168.1 | 173.9 | 74.3 | 98.2 | 4.4 | 113.5 | E904 A963 T964 L1024 | E904-R967 IonicContact OE1-CZ 3.45Å; E904-R967 IonicContact OE1-NH1 2.79Å; E904-R967 PolarHBondContact OE1-NH1 3.02Å; E904-R967 IonicContact OE1-NH2 3.85Å; E904-R967 IonicContact OE2-CZ 3.65Å; E904-R967 IonicContact OE2-NH1 2.84Å; E904-R967 PolarHBondContact OE2-NH1 3.1Å; E904-R967 VanDerWaalsContact OE2-NH1 3.14Å; E904-R967 IonicContact OE2-NH2 3.65Å; E904-R967 PolarHBondContact OE2-NH2 3.32Å; A963-R967 VanDerWaalsContact O-CB 3.24Å; A963-R967 WeakPolarHBondContact O-CB 3.06Å; A963-R967 PolarHBondContact O-N 2.91Å; T964-R967 PolarHBondContact O-N 2.96Å; R967-L1024 HydrophobicContact CB-CD1 3.81Å; R967-L1024 HydrophobicContact CB-CD2 4.25Å; R967-L1024 HydrophobicContact CG-CD1 4.38Å; R967-L1024 HydrophobicContact CG-CD2 4.08Å |
| 968 | I | 75.2 | Confident | 71.6 | Confident | 4 Ų | 4 | 33.6 Ų | 33.6 | 2% | 0.021 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -103.9 | -43.5 | -171 | -62.5 | 177.3 | 0 | 0 | 0 | 112.3 | I900 L901 L903 E904 R911 T964 V966 | I900-I968 HydrophobicContact CG2-CB 4.19Å; I900-I968 HydrophobicContact CG2-CD1 4.37Å; I900-I968 HydrophobicContact CG2-CG2 4.24Å; I900-I968 WeakPolarHBondContact O-CD1 3.44Å; L901-I968 VanDerWaalsContact CA-CD1 3.47Å; L901-I968 HydrophobicContact CB-CD1 4.5Å; L901-I968 HydrophobicContact CD2-CD1 3.85Å; L903-I968 HydrophobicContact CB-CG2 4.08Å; E904-I968 HydrophobicContact CB-CD1 4.02Å; E904-I968 HydrophobicContact CB-CG1 4.46Å; R911-I968 WeakPolarHBondContact CD-O 3.5Å; R911-I968 HydrophobicContact CG-CG2 4.46Å; T964-I968 WeakPolarHBondContact O-CB 3.39Å; T964-I968 PolarHBondContact O-N 2.95Å; V966-I968 VanDerWaalsContact C-N 3.29Å; V966-I968 PolarHBondContact O-N 3.24Å |
| 969 | L | 75.4 | Confident | 71.1 | Confident | 1 Ų | 1 | 33.6 Ų | 33.6 | 1% | 0.005 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -99.9 | -12.4 | -170.7 | -60.2 | 177 | 0 | 0 | 0 | 113.7 | I900 L903 R911 V914 L918 F965 I971 | I900-L969 HydrophobicContact CD1-CD1 4.03Å; I900-L969 HydrophobicContact CG1-CD1 4.2Å; I900-L969 HydrophobicContact CG2-CD1 3.85Å; I900-L969 HydrophobicContact CG2-CG 3.93Å; L903-L969 HydrophobicContact CD1-CD2 4.42Å; R911-L969 HydrophobicContact CB-CD2 4.03Å; V914-L969 HydrophobicContact CB-CD2 4.34Å; V914-L969 HydrophobicContact CG1-CD1 4.37Å; V914-L969 HydrophobicContact CG1-CD2 4.27Å; L918-L969 HydrophobicContact CD1-CD1 3.99Å; F965-L969 HydrophobicContact CD2-CB 4.45Å; F965-L969 HydrophobicContact CD2-CD1 3.69Å; F965-L969 HydrophobicContact CE2-CB 4.41Å; F965-L969 HydrophobicContact CE2-CD1 3.76Å; F965-L969 WeakPolarHBondContact O-CA 3.4Å; F965-L969 WeakPolarHBondContact O-CB 3.38Å; F965-L969 PolarHBondContact O-N 3.04Å; L969-I971 PolarHBondContact O-N 3.32Å |
| 970 | S | 68.6 | Low | 70.7 | Confident | 27 Ų | 27 | 34.6 Ų | 34.6 | 19% | 0.189 | 20% | 0.195 | C | C | . | . | trans | -74 | 92.8 | 179.7 | 79.1 | 0 | 0 | 0 | 0 | 111.9 | F965 V966 | F965-S970 PolarHBondContact O-N 3.44Å; V966-S970 WeakPolarHBondContact O-CB 3.38Å; V966-S970 PolarHBondContact O-N 3.09Å; V966-S970 PolarHBondContact O-OG 3.49Å | ||
| 971 | I | 64.3 | Low | 70.5 | Confident | 73 Ų | 73 | 39.7 Ų | 39.7 | 37% | 0.374 | 22% | 0.218 | S | C | . | . | trans | -112.1 | -24.7 | 170.4 | -57.8 | 165.5 | 0 | 0 | 0 | 110.2 | N908 R911 Q912 L969 | N908-I971 HydrophobicContact CB-CD1 4.18Å; R911-I971 HydrophobicContact CB-CD1 3.97Å; Q912-I971 HydrophobicContact CG-CB 4.48Å; Q912-I971 HydrophobicContact CG-CD1 3.77Å; L969-I971 PolarHBondContact O-N 3.32Å | ||
| 972 | S | 59 | Low | 70.1 | Confident | 42 Ų | 42 | 40.1 Ų | 40.1 | 29% | 0.294 | 22% | 0.221 | S | C | . | . | trans | -104.3 | 129.2 | -178.8 | 62.9 | 0 | 0 | 0 | 0 | 112.9 | Y915 N974 S975 | Y915-S972 PolarHBondContact OH-OG 3.21Å; S972-N974 PolarHBondContact O-N 3.34Å; S972-N974 VanDerWaalsContact O-N 3.11Å; S972-S975 PolarHBondContact O-OG 2.91Å; S972-S975 PolarHBondContact OG-OG 3.37Å | ||
| 973 | N | 59.3 | Low | 69.8 | Low | 102 Ų | 102 | 40 Ų | 40 | 55% | 0.545 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -23.4 | 177.5 | -73.8 | -21.3 | 0 | 0 | 0 | 114.4 | I1030 | N973-I1030 WeakPolarHBondContact O-CD1 3.46Š|
| 974 | N | 61.4 | Low | 69.4 | Low | 136 Ų | 136 | 41.3 Ų | 41.3 | 73% | 0.727 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.3 | -40.9 | -173.2 | -69.7 | -0.1 | 0 | 0 | 0 | 113.1 | S972 L976 S977 | S972-N974 PolarHBondContact O-N 3.34Å; S972-N974 VanDerWaalsContact O-N 3.11Å; N974-L976 VanDerWaalsContact C-N 3.33Å; N974-S977 PolarHBondContact O-N 3.06Å; N974-S977 PolarHBondContact O-OG 3.47Å |
| 975 | S | 61.7 | Low | 69.2 | Low | 18 Ų | 18 | 45 Ų | 45 | 13% | 0.126 | 25% | 0.25 | C | S | . | . | G | 310 helix | trans | -69.5 | -31.5 | 176 | 35.9 | 0 | 0 | 0 | 0 | 113.1 | Y915 S972 S977 S978 | Y915-S975 WeakPolarHBondContact CE2-OG 3.37Å; Y915-S975 WeakPolarHBondContact OH-CB 3.41Å; Y915-S975 PolarHBondContact OH-OG 3.36Å; Y915-S975 VanDerWaalsContact OH-OG 3.12Å; S972-S975 PolarHBondContact O-OG 2.91Å; S972-S975 PolarHBondContact OG-OG 3.37Å; S975-S977 PolarHBondContact O-N 3.11Å; S975-S978 PolarHBondContact O-OG 3.48Å |
| 976 | L | 61.6 | Low | 68.8 | Low | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 25% | 0.249 | C | C | . | . | G | 310 helix | trans | -66.2 | -16.4 | 178.5 | -72.4 | 160.6 | 0 | 0 | 0 | 112.7 | V966 N974 I979 P980 L1025 I1030 | V966-L976 HydrophobicContact CG1-CD2 4.07Å; V966-L976 HydrophobicContact CG2-CD2 4.36Å; N974-L976 VanDerWaalsContact C-N 3.33Å; L976-I979 HydrophobicContact CD2-CD1 4.37Å; L976-P980 WeakPolarHBondContact O-CD 3.27Å; L976-L1025 HydrophobicContact CD2-CD2 3.62Å; L976-I1030 HydrophobicContact CB-CD1 3.83Å |
| 977 | S | 66.3 | Low | 68.5 | Low | 65 Ų | 65 | 45.8 Ų | 45.8 | 46% | 0.455 | 26% | 0.255 | S | S | . | . | G | 310 helix | trans | -73.3 | -29.6 | -177.9 | 69.6 | 0 | 0 | 0 | 0 | 114.4 | N974 S975 | N974-S977 PolarHBondContact O-N 3.06Å; N974-S977 PolarHBondContact O-OG 3.47Å; S975-S977 PolarHBondContact O-N 3.11Å |
| 978 | S | 68.3 | Low | 68.1 | Low | 52 Ų | 52 | 47.1 Ų | 47.1 | 36% | 0.364 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | -26.9 | 179.8 | 59.6 | 0 | 0 | 0 | 0 | 113 | S975 Q981 L982 | S975-S978 PolarHBondContact O-OG 3.48Å; S978-Q981 WeakPolarHBondContact O-CB 3.46Å; S978-Q981 PolarHBondContact O-N 3.37Å; S978-Q981 VanDerWaalsContact O-N 3.13Å; S978-L982 WeakPolarHBondContact O-CG 3.49Å; S978-L982 PolarHBondContact O-N 3.49Å |
| 979 | I | 71.4 | Confident | 67.7 | Low | 6 Ų | 6 | 47.2 Ų | 47.2 | 3% | 0.031 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -59.9 | -45.7 | -174.3 | -62.1 | 177.2 | 0 | 0 | 0 | 112.5 | V966 L976 Q981 L982 I983 I1021 L1025 | V966-I979 HydrophobicContact CG2-CD1 3.37Å; V966-I979 HydrophobicContact CG2-CG2 4.41Å; L976-I979 HydrophobicContact CD2-CD1 4.37Å; I979-Q981 VanDerWaalsContact C-N 3.29Å; I979-Q981 PolarHBondContact O-N 2.76Å; I979-L982 WeakPolarHBondContact O-CB 3.07Å; I979-L982 PolarHBondContact O-N 3.26Å; I979-I983 HydrophobicContact CG2-CD1 3.81Å; I979-I983 HydrophobicContact CG2-CG1 4.35Å; I979-I983 VanDerWaalsContact O-CG1 3.31Å; I979-I983 WeakPolarHBondContact O-CG1 3.36Å; I979-I983 PolarHBondContact O-N 3.12Å; I979-I1021 HydrophobicContact CG2-CG2 4.18Å; I979-L1025 HydrophobicContact CG2-CD1 4.42Å |
| 980 | P | 68.8 | Low | 67.3 | Low | 20 Ų | 20 | 47.6 Ų | 47.6 | 13% | 0.13 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -64.3 | -33.1 | 176.8 | -19.9 | 29.9 | 0 | 0 | 0 | 113.5 | L976 I983 G984 L1025 I1030 I1034 | L976-P980 WeakPolarHBondContact O-CD 3.27Å; P980-I983 PolarHBondContact O-N 3.29Å; P980-G984 PolarHBondContact O-N 3.13Å; P980-L1025 HydrophobicContact CG-CD1 4.25Å; P980-I1030 HydrophobicContact CG-CG2 4.33Å; P980-I1034 HydrophobicContact CB-CD1 3.14Å; P980-I1034 HydrophobicContact CG-CD1 3.86Å |
| 981 | Q | 70.9 | Confident | 67.1 | Low | 139 Ų | 139 | 48.6 Ų | 48.6 | 65% | 0.65 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -66.6 | -41.2 | 174.4 | -64.5 | -178.7 | -13.1 | 0 | 0 | 111 | S978 I979 G984 Q985 | S978-Q981 WeakPolarHBondContact O-CB 3.46Å; S978-Q981 PolarHBondContact O-N 3.37Å; S978-Q981 VanDerWaalsContact O-N 3.13Å; I979-Q981 VanDerWaalsContact C-N 3.29Å; I979-Q981 PolarHBondContact O-N 2.76Å; Q981-G984 PolarHBondContact O-N 3.43Å; Q981-Q985 WeakPolarHBondContact O-CG 3.41Å; Q981-Q985 PolarHBondContact O-N 2.93Å |
| 982 | L | 72.3 | Confident | 66.7 | Low | 13 Ų | 13 | 46.8 Ų | 46.8 | 7% | 0.068 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63.6 | -44.6 | 174.9 | -67.7 | 170.9 | 0 | 0 | 0 | 111.6 | V928 L931 L932 S978 I979 G984 Q985 I986 | V928-L982 HydrophobicContact CG1-CD2 3.82Å; V928-L982 HydrophobicContact CG2-CD1 3.92Å; L931-L982 HydrophobicContact CD2-CD2 4.47Å; L932-L982 HydrophobicContact CD1-CD2 4.21Å; L932-L982 HydrophobicContact CD2-CD2 4.02Å; L932-L982 HydrophobicContact CG-CD2 4.26Å; S978-L982 WeakPolarHBondContact O-CG 3.49Å; S978-L982 PolarHBondContact O-N 3.49Å; I979-L982 WeakPolarHBondContact O-CB 3.07Å; I979-L982 PolarHBondContact O-N 3.26Å; L982-G984 VanDerWaalsContact C-N 3.33Å; L982-G984 PolarHBondContact O-N 3.26Å; L982-Q985 PolarHBondContact O-N 2.92Å; L982-I986 VanDerWaalsContact O-CG1 3.25Å; L982-I986 WeakPolarHBondContact O-CG1 3.38Å; L982-I986 PolarHBondContact O-N 2.85Å |
| 983 | I | 73.4 | Confident | 66.2 | Low | 9 Ų | 9 | 47.2 Ų | 47.2 | 5% | 0.046 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -59.3 | -45.8 | 175.2 | -69 | 167.3 | 0 | 0 | 0 | 110.4 | I979 P980 Q985 I986 I987 I1021 L1025 | I979-I983 HydrophobicContact CG2-CD1 3.81Å; I979-I983 HydrophobicContact CG2-CG1 4.35Å; I979-I983 VanDerWaalsContact O-CG1 3.31Å; I979-I983 WeakPolarHBondContact O-CG1 3.36Å; I979-I983 PolarHBondContact O-N 3.12Å; P980-I983 PolarHBondContact O-N 3.29Å; I983-Q985 VanDerWaalsContact C-N 3.33Å; I983-Q985 PolarHBondContact O-N 2.68Å; I983-I986 PolarHBondContact O-N 3.5Å; I983-I987 HydrophobicContact CG2-CD1 3.73Å; I983-I987 WeakPolarHBondContact O-CG1 3.36Å; I983-I987 PolarHBondContact O-N 3.33Å; I983-I1021 HydrophobicContact CD1-CB 4.24Å; I983-I1021 HydrophobicContact CD1-CD1 4.48Å; I983-I1021 HydrophobicContact CD1-CG2 3.52Å; I983-L1025 HydrophobicContact CD1-CD1 4.16Å |
| 984 | G | 70.4 | Confident | 65.5 | Low | 38 Ų | 38 | 42.8 Ų | 42.8 | 39% | 0.392 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -59.4 | -41.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | P980 Q981 L982 H988 | P980-G984 PolarHBondContact O-N 3.13Å; Q981-G984 PolarHBondContact O-N 3.43Å; L982-G984 VanDerWaalsContact C-N 3.33Å; L982-G984 PolarHBondContact O-N 3.26Å; G984-H988 VanDerWaalsContact O-CB 3.29Å; G984-H988 WeakPolarHBondContact O-CB 3.34Å; G984-H988 PolarHBondContact O-N 2.92Å |
| 985 | Q | 71.7 | Confident | 64.4 | Low | 91 Ų | 91 | 39.2 Ų | 39.2 | 43% | 0.425 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -68.6 | -40.2 | 176.3 | -73.6 | 171.3 | -17.1 | 0 | 0 | 112.6 | L932 L936 Q981 L982 I983 H988 S989 | L932-Q985 HydrophobicContact CD2-CB 4.41Å; L936-Q985 HydrophobicContact CD1-CB 4.01Å; Q981-Q985 WeakPolarHBondContact O-CG 3.41Å; Q981-Q985 PolarHBondContact O-N 2.93Å; L982-Q985 PolarHBondContact O-N 2.92Å; I983-Q985 VanDerWaalsContact C-N 3.33Å; I983-Q985 PolarHBondContact O-N 2.68Å; Q985-H988 PolarHBondContact O-N 3.37Å; Q985-S989 WeakPolarHBondContact O-CB 3.4Å; Q985-S989 PolarHBondContact O-N 3.05Å; Q985-S989 PolarHBondContact O-OG 3.15Å |
| 986 | I | 72.2 | Confident | 63.2 | Low | 1 Ų | 1 | 43.5 Ų | 43.5 | 1% | 0.005 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -58.1 | -51.8 | 174.3 | -68.6 | 164.9 | 0 | 0 | 0 | 109.2 | L931 L936 L959 L982 I983 H988 S989 L990 | L931-I986 HydrophobicContact CD1-CD1 3.97Å; L931-I986 HydrophobicContact CD1-CG1 4.32Å; L931-I986 HydrophobicContact CD2-CD1 4.3Å; L931-I986 HydrophobicContact CD2-CG1 3.98Å; L936-I986 HydrophobicContact CD1-CB 4.46Å; L936-I986 HydrophobicContact CD1-CG1 3.93Å; L936-I986 HydrophobicContact CD2-CG1 4.29Å; L959-I986 HydrophobicContact CD2-CD1 3.88Å; L959-I986 HydrophobicContact CG-CD1 4.45Å; L982-I986 VanDerWaalsContact O-CG1 3.25Å; L982-I986 WeakPolarHBondContact O-CG1 3.38Å; L982-I986 PolarHBondContact O-N 2.85Å; I983-I986 PolarHBondContact O-N 3.5Å; I986-H988 PolarHBondContact O-N 3.07Å; I986-S989 PolarHBondContact O-N 3.22Å; I986-S989 PolarHBondContact O-OG 3.35Å; I986-L990 HydrophobicContact CG2-CD1 3.69Å; I986-L990 WeakPolarHBondContact O-CD1 2.85Å; I986-L990 VanDerWaalsContact O-CG 3.28Å; I986-L990 WeakPolarHBondContact O-CG 3.44Å; I986-L990 PolarHBondContact O-N 3.04Å; I986-L990 VanDerWaalsContact O-N 3.11Å |
| 987 | I | 69.4 | Low | 62.1 | Low | 23 Ų | 23 | 48.9 Ų | 48.9 | 12% | 0.118 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -60.7 | -49.2 | 180 | -68.3 | 163.9 | 0 | 0 | 0 | 110.7 | I983 S989 L990 C991 F1010 I1018 L1041 | I983-I987 HydrophobicContact CG2-CD1 3.73Å; I983-I987 WeakPolarHBondContact O-CG1 3.36Å; I983-I987 PolarHBondContact O-N 3.33Å; I987-S989 VanDerWaalsContact C-N 3.32Å; I987-S989 PolarHBondContact O-N 3.13Å; I987-L990 PolarHBondContact O-N 3.27Å; I987-C991 WeakPolarHBondContact O-CB 3.34Å; I987-C991 PolarHBondContact O-N 2.96Å; I987-C991 PolarHBondContact O-SG 3.5Å; I987-F1010 HydrophobicContact CG1-CE2 4.47Å; I987-I1018 HydrophobicContact CG1-CD1 4.31Å; I987-L1041 HydrophobicContact CD1-CD1 3.32Å; I987-L1041 HydrophobicContact CG1-CD1 4.22Å; I987-L1041 HydrophobicContact CG2-CD1 3.82Å |
| 988 | H | 69.6 | Low | 60.6 | Low | 129 Ų | 129 | 49.3 Ų | 49.3 | 60% | 0.597 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -59.3 | -42 | 178.8 | -175.8 | -77.1 | 0 | 0 | 0 | 112.2 | G984 Q985 I986 L990 T992 | G984-H988 VanDerWaalsContact O-CB 3.29Å; G984-H988 WeakPolarHBondContact O-CB 3.34Å; G984-H988 PolarHBondContact O-N 2.92Å; Q985-H988 PolarHBondContact O-N 3.37Å; I986-H988 PolarHBondContact O-N 3.07Å; H988-L990 VanDerWaalsContact C-N 3.32Å; H988-L990 PolarHBondContact O-N 3Å; H988-T992 WeakPolarHBondContact CE1-CG2 3.33Å; H988-T992 WeakPolarHBondContact O-CB 3.47Å; H988-T992 WeakPolarHBondContact O-CG2 3.43Å; H988-T992 PolarHBondContact O-N 3.47Å; H988-T992 PolarHBondContact O-OG1 2.97Å |
| 989 | S | 66.9 | Low | 58.9 | Low | 7 Ų | 7 | 52.4 Ų | 52.4 | 5% | 0.049 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -64.5 | -36.9 | 179.2 | 78.3 | 0 | 0 | 0 | 0 | 112.5 | L936 Q985 I986 I987 T992 T993 | L936-S989 VanDerWaalsContact CD2-OG 3.23Å; L936-S989 WeakPolarHBondContact CD2-OG 3.33Å; Q985-S989 WeakPolarHBondContact O-CB 3.4Å; Q985-S989 PolarHBondContact O-N 3.05Å; Q985-S989 PolarHBondContact O-OG 3.15Å; I986-S989 PolarHBondContact O-N 3.22Å; I986-S989 PolarHBondContact O-OG 3.35Å; I987-S989 VanDerWaalsContact C-N 3.32Å; I987-S989 PolarHBondContact O-N 3.13Å; S989-T992 WeakPolarHBondContact CA-OG1 3.35Å; S989-T992 PolarHBondContact O-OG1 3.03Å; S989-T992 VanDerWaalsContact O-OG1 3.13Å; S989-T993 WeakPolarHBondContact O-CG2 3.14Å; S989-T993 PolarHBondContact O-N 3.2Å; S989-T993 PolarHBondContact O-OG1 3.48Å |
| 990 | L | 66.2 | Low | 57.2 | Low | 8 Ų | 8 | 57.6 Ų | 57.6 | 4% | 0.042 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -77 | -38.2 | -178.6 | -68.7 | 163.4 | 0 | 0 | 0 | 111.1 | I986 I987 H988 T993 F1010 L1014 | I986-L990 HydrophobicContact CG2-CD1 3.69Å; I986-L990 WeakPolarHBondContact O-CD1 2.85Å; I986-L990 VanDerWaalsContact O-CG 3.28Å; I986-L990 WeakPolarHBondContact O-CG 3.44Å; I986-L990 PolarHBondContact O-N 3.04Å; I986-L990 VanDerWaalsContact O-N 3.11Å; I987-L990 PolarHBondContact O-N 3.27Å; H988-L990 VanDerWaalsContact C-N 3.32Å; H988-L990 PolarHBondContact O-N 3Å; L990-T993 WeakPolarHBondContact CA-OG1 3.33Å; L990-T993 PolarHBondContact O-OG1 3.23Å; L990-F1010 HydrophobicContact CB-CD2 4.1Å; L990-F1010 HydrophobicContact CB-CE2 4.13Å; L990-F1010 HydrophobicContact CD1-CE2 3.85Å; L990-F1010 HydrophobicContact CD1-CZ 4.43Å; L990-L1014 HydrophobicContact CD1-CD1 3.22Å; L990-L1014 HydrophobicContact CD2-CD1 4.27Å; L990-L1014 HydrophobicContact CG-CD1 4.36Å |
| 991 | C | 63.2 | Low | 55.5 | Low | 49 Ų | 49 | 62.8 Ų | 62.8 | 33% | 0.331 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -69.2 | -36.6 | 173.4 | -66.8 | 0 | 0 | 0 | 0 | 112.6 | I987 S994 | I987-C991 WeakPolarHBondContact O-CB 3.34Å; I987-C991 PolarHBondContact O-N 2.96Å; I987-C991 PolarHBondContact O-SG 3.5Å; C991-S994 PolarHBondContact O-OG 3.48Å |
| 992 | T | 56.4 | Low | 53.7 | Low | 34 Ų | 34 | 62 Ų | 62 | 21% | 0.209 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -73.9 | -34.7 | 179.1 | 47.4 | 0 | 0 | 0 | 0 | 113 | H988 S989 S994 S995 | H988-T992 WeakPolarHBondContact CE1-CG2 3.33Å; H988-T992 WeakPolarHBondContact O-CB 3.47Å; H988-T992 WeakPolarHBondContact O-CG2 3.43Å; H988-T992 PolarHBondContact O-N 3.47Å; H988-T992 PolarHBondContact O-OG1 2.97Å; S989-T992 WeakPolarHBondContact CA-OG1 3.35Å; S989-T992 PolarHBondContact O-OG1 3.03Å; S989-T992 VanDerWaalsContact O-OG1 3.13Å; T992-S994 PolarHBondContact O-N 3.16Å; T992-S994 VanDerWaalsContact O-N 3.15Å; T992-S995 PolarHBondContact O-N 3.4Å; T992-S995 PolarHBondContact O-OG 2.63Å |
| 993 | T | 49 | Very low | 51.8 | Low | 51 Ų | 51 | 68.3 Ų | 68.3 | 31% | 0.313 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -59.6 | -24 | 176.9 | 35.4 | 0 | 0 | 0 | 0 | 113.7 | N938 S989 L990 | N938-T993 WeakPolarHBondContact OD1-CG2 3.41Å; S989-T993 WeakPolarHBondContact O-CG2 3.14Å; S989-T993 PolarHBondContact O-N 3.2Å; S989-T993 PolarHBondContact O-OG1 3.48Å; L990-T993 WeakPolarHBondContact CA-OG1 3.33Å; L990-T993 PolarHBondContact O-OG1 3.23Å |
| 994 | S | 43.7 | Very low | 49.8 | Very low | 10 Ų | 10 | 72.9 Ų | 72.9 | 7% | 0.07 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -81.8 | -22.7 | 175.1 | 67.2 | 0 | 0 | 0 | 0 | 113.8 | C991 T992 T997 S1009 | C991-S994 PolarHBondContact O-OG 3.48Å; T992-S994 PolarHBondContact O-N 3.16Å; T992-S994 VanDerWaalsContact O-N 3.15Å; S994-T997 PolarHBondContact O-OG1 2.94Å; S994-S1009 WeakPolarHBondContact CB-OG 3.24Å |
| 995 | S | 38.9 | Very low | 48.2 | Very low | 60 Ų | 60 | 74.7 Ų | 74.7 | 42% | 0.42 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -80.3 | -25.8 | -179.6 | 67.7 | 0 | 0 | 0 | 0 | 114 | T992 T997 T998 | T992-S995 PolarHBondContact O-N 3.4Å; T992-S995 PolarHBondContact O-OG 2.63Å; S995-T997 PolarHBondContact O-N 3.32Å; S995-T998 PolarHBondContact O-OG1 3.43Å |
| 996 | L | 36.7 | Very low | 46.5 | Very low | 109 Ų | 109 | 75.2 Ų | 75.2 | 57% | 0.571 | 45% | 0.453 | S | S | * | . | G | 310 helix | trans | -78.4 | -16.7 | -176.2 | -89.7 | 146.1 | 0 | 0 | 0 | 113.7 | T998 | L996-T998 VanDerWaalsContact C-N 3.31Å; L996-T998 PolarHBondContact O-N 3.48Å |
| 997 | T | 38.1 | Very low | 45 | Very low | 113 Ų | 113 | 77.3 Ų | 77.3 | 69% | 0.693 | 47% | 0.468 | S | S | * | . | G | 310 helix | trans | -82 | -2.8 | 179.2 | 48.4 | 0 | 0 | 0 | 0 | 114.2 | S994 S995 | S994-T997 PolarHBondContact O-OG1 2.94Å; S995-T997 PolarHBondContact O-N 3.32Å |
| 998 | T | 34.6 | Very low | 43.9 | Very low | 73 Ų | 73 | 80.1 Ų | 80.1 | 45% | 0.448 | 48% | 0.484 | S | S | . | . | G | 310 helix | trans | -118.9 | 22.7 | -177.5 | 53.4 | 0 | 0 | 0 | 0 | 114.6 | S995 L996 T1000 | S995-T998 PolarHBondContact O-OG1 3.43Å; L996-T998 VanDerWaalsContact C-N 3.31Å; L996-T998 PolarHBondContact O-N 3.48Å; T998-T1000 PolarHBondContact O-N 3.01Å; T998-T1000 VanDerWaalsContact O-N 3.11Å |
| 999 | T | 33.4 | Very low | 43.1 | Very low | 117 Ų | 117 | 77.7 Ų | 77.7 | 72% | 0.718 | 48% | 0.481 | S | S | * | . | trans | -86.7 | 54 | 171.7 | 49.2 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1000 | T | 36.3 | Very low | 42.9 | Very low | 116 Ų | 116 | 78 Ų | 78 | 71% | 0.712 | 48% | 0.481 | S | S | * | . | S | Bend | trans | -134.4 | 98.1 | 159.1 | 48.3 | 0 | 0 | 0 | 0 | 108.5 | T998 | T998-T1000 PolarHBondContact O-N 3.01Å; T998-T1000 VanDerWaalsContact O-N 3.11Å |
| 1001 | T | 32.1 | Very low | 43 | Very low | 128 Ų | 128 | 78.7 Ų | 78.7 | 79% | 0.785 | 49% | 0.487 | S | S | * | . | S | Bend | trans | 41.6 | 120.3 | 155.8 | 53.2 | 0 | 0 | 0 | 0 | 117.7 | ||
| 1002 | T | 33 | Very low | 43.3 | Very low | 124 Ų | 124 | 79.1 Ų | 79.1 | 76% | 0.761 | 48% | 0.484 | S | S | * | . | S | Bend | trans | 92.9 | 129.5 | 171.6 | 72.8 | 0 | 0 | 0 | 0 | 114.8 | T1004 | T1002-T1004 PolarHBondContact O-N 3.45Å; T1002-T1004 PolarHBondContact O-OG1 3.21Å |
| 1003 | T | 33.3 | Very low | 43.9 | Very low | 145 Ų | 145 | 81.8 Ų | 81.8 | 89% | 0.89 | 50% | 0.497 | S | S | * | . | trans | -60.4 | 90.7 | -173.1 | 45.9 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1004 | T | 30.3 | Very low | 45 | Very low | 104 Ų | 104 | 79.3 Ų | 79.3 | 64% | 0.638 | 48% | 0.482 | S | S | * | . | trans | -140.4 | 117 | 170.8 | 42.3 | 0 | 0 | 0 | 0 | 111.3 | T1002 | T1002-T1004 PolarHBondContact O-N 3.45Å; T1002-T1004 PolarHBondContact O-OG1 3.21Å | ||
| 1005 | S | 36.4 | Very low | 46.4 | Very low | 77 Ų | 77 | 78.9 Ų | 78.9 | 54% | 0.538 | 48% | 0.479 | S | S | . | . | trans | 46.1 | 102.5 | 151.7 | 58.6 | 0 | 0 | 0 | 0 | 118.4 | S1007 | S1005-S1007 PolarHBondContact O-N 3.06Š| ||
| 1006 | V | 36.2 | Very low | 48.1 | Very low | 101 Ų | 101 | 77.5 Ų | 77.5 | 61% | 0.612 | 47% | 0.469 | S | S | * | . | trans | -65.7 | 97.3 | 160 | -178.6 | 0 | 0 | 0 | 0 | 108 | N1008 | V1006-N1008 PolarHBondContact O-N 3.49Š| ||
| 1007 | S | 40.6 | Very low | 49.8 | Very low | 45 Ų | 45 | 72.7 Ų | 72.7 | 32% | 0.315 | 45% | 0.445 | S | S | . | . | trans | -76.1 | 107.1 | 172.3 | 56.5 | 0 | 0 | 0 | 0 | 109.3 | S1005 S1009 | S1005-S1007 PolarHBondContact O-N 3.06Å; S1007-S1009 VanDerWaalsContact C-N 3.32Å; S1007-S1009 PolarHBondContact O-N 2.84Å | ||
| 1008 | N | 47.1 | Very low | 51.6 | Low | 83 Ų | 83 | 67.3 Ų | 67.3 | 44% | 0.444 | 41% | 0.412 | S | S | . | . | trans | -73.1 | 81.9 | 173.2 | -74.7 | -14.6 | 0 | 0 | 0 | 110.2 | V1006 F1010 | V1006-N1008 PolarHBondContact O-N 3.49Å; N1008-F1010 VanDerWaalsContact C-N 3.29Å; N1008-F1010 PolarHBondContact O-N 3.41Å; N1008-F1010 VanDerWaalsContact O-N 3.15Å | ||
| 1009 | S | 53.9 | Low | 53.7 | Low | 78 Ų | 78 | 63.8 Ų | 63.8 | 55% | 0.545 | 39% | 0.39 | S | S | . | . | trans | -86.2 | 62.7 | 175.1 | 67.3 | 0 | 0 | 0 | 0 | 111.3 | S994 S1007 | S994-S1009 WeakPolarHBondContact CB-OG 3.24Å; S1007-S1009 VanDerWaalsContact C-N 3.32Å; S1007-S1009 PolarHBondContact O-N 2.84Å | ||
| 1010 | F | 62.5 | Low | 55.5 | Low | 13 Ų | 13 | 61 Ų | 61 | 6% | 0.057 | 37% | 0.371 | C | S | . | . | trans | -86.2 | 127.1 | 168.9 | -175.7 | -82.4 | 0 | 0 | 0 | 108.7 | I987 L990 N1008 L1014 I1015 I1018 F1046 I1049 | I987-F1010 HydrophobicContact CG1-CE2 4.47Å; L990-F1010 HydrophobicContact CB-CD2 4.1Å; L990-F1010 HydrophobicContact CB-CE2 4.13Å; L990-F1010 HydrophobicContact CD1-CE2 3.85Å; L990-F1010 HydrophobicContact CD1-CZ 4.43Å; N1008-F1010 VanDerWaalsContact C-N 3.29Å; N1008-F1010 PolarHBondContact O-N 3.41Å; N1008-F1010 VanDerWaalsContact O-N 3.15Å; F1010-L1014 HydrophobicContact CE1-CB 3.91Å; F1010-L1014 HydrophobicContact CZ-CB 3.96Å; F1010-L1014 HydrophobicContact CZ-CD1 4.18Å; F1010-I1015 HydrophobicContact CD1-CG1 4.27Å; F1010-I1015 HydrophobicContact CE1-CG1 3.94Å; F1010-I1018 HydrophobicContact CE1-CD1 4.38Å; F1010-I1018 HydrophobicContact CZ-CD1 3.68Å; F1010-F1046 HydrophobicContact CD1-CE1 4.41Å; F1010-F1046 HydrophobicContact CE1-CD1 4.48Å; F1010-F1046 AromaticContact CE1-CE1 3.8Å; F1010-F1046 HydrophobicContact CE1-CE1 3.8Å; F1010-F1046 HydrophobicContact CZ-CE1 4.15Å; F1010-I1049 HydrophobicContact CB-CD1 3.55Å; F1010-I1049 HydrophobicContact CD1-CD1 3.81Å; F1010-I1049 HydrophobicContact CG-CD1 4.02Å | ||
| 1011 | P | 68.3 | Low | 57.4 | Low | 23 Ų | 23 | 55.5 Ų | 55.5 | 15% | 0.149 | 34% | 0.337 | C | S | . | . | trans | -75.4 | 134.6 | -170.9 | 33.3 | -39.8 | 0 | 0 | 0 | 111.6 | I952 N1013 L1014 | I952-P1011 HydrophobicContact CB-CB 4.47Å; I952-P1011 HydrophobicContact CB-CG 4.28Å; I952-P1011 HydrophobicContact CD1-CB 3.79Å; I952-P1011 HydrophobicContact CD1-CG 3.96Å; I952-P1011 HydrophobicContact CG1-CB 4.13Å; I952-P1011 HydrophobicContact CG1-CG 3.81Å; I952-P1011 HydrophobicContact CG2-CB 3.55Å; I952-P1011 HydrophobicContact CG2-CG 3.53Å; P1011-N1013 VanDerWaalsContact C-N 3.28Å; P1011-N1013 PolarHBondContact O-N 2.9Å; P1011-L1014 HydrophobicContact CG-CB 4.42Å; P1011-L1014 HydrophobicContact CG-CD1 3.33Å; P1011-L1014 HydrophobicContact CG-CG 3.79Å; P1011-L1014 PolarHBondContact O-N 3.47Å | ||
| 1012 | M | 69.2 | Low | 59.5 | Low | 58 Ų | 58 | 50 Ų | 50 | 29% | 0.286 | 30% | 0.303 | S | S | . | . | G | 310 helix | trans | -60.7 | -35.5 | -174.6 | -141.8 | -179 | -66.6 | 0 | 0 | 112.9 | L1014 I1015 I1049 L1050 T1052 N1076 | M1012-L1014 PolarHBondContact O-N 3.39Å; M1012-L1014 VanDerWaalsContact O-N 3.11Å; M1012-I1015 HydrophobicContact CG-CD1 4.16Å; M1012-I1015 WeakPolarHBondContact O-CB 3.29Å; M1012-I1015 WeakPolarHBondContact O-CG1 3.43Å; M1012-I1015 PolarHBondContact O-N 3.48Å; M1012-I1049 HydrophobicContact CB-CG2 4.49Å; M1012-I1049 HydrophobicContact CG-CG2 4.15Å; M1012-L1050 HydrophobicContact CG-CD2 4.3Å; M1012-T1052 HydrophobicContact CE-CG2 3.72Å; M1012-N1076 PolarHBondContact SD-ND2 3.2Å |
| 1013 | N | 69.3 | Low | 61.7 | Low | 89 Ų | 89 | 45.3 Ų | 45.3 | 48% | 0.476 | 27% | 0.273 | S | S | . | . | G | 310 helix | trans | -64.4 | -18 | -176.8 | -57.2 | 20.9 | 0 | 0 | 0 | 114 | T956 P1011 P1017 | T956-N1013 HydrophobicContact CG2-CB 4.06Å; P1011-N1013 VanDerWaalsContact C-N 3.28Å; P1011-N1013 PolarHBondContact O-N 2.9Å; N1013-P1017 WeakPolarHBondContact O-CD 3.37Å |
| 1014 | L | 70.9 | Confident | 63.6 | Low | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 24% | 0.244 | C | C | . | . | G | 310 helix | trans | -83.6 | -17.5 | 176.2 | -66.5 | 175 | 0 | 0 | 0 | 112.7 | I952 C955 T956 L959 L990 F1010 P1011 M1012 P1017 I1018 | I952-L1014 HydrophobicContact CG2-CG 4.42Å; C955-L1014 HydrophobicContact CB-CD1 4.32Å; C955-L1014 HydrophobicContact CB-CD2 3.7Å; T956-L1014 HydrophobicContact CG2-CD2 3.28Å; T956-L1014 HydrophobicContact CG2-CG 3.94Å; T956-L1014 VanDerWaalsContact N-CD2 3.32Å; L959-L1014 HydrophobicContact CD1-CB 4.32Å; L959-L1014 HydrophobicContact CD1-CD2 3.49Å; L959-L1014 VanDerWaalsContact CD1-CD2 3.49Å; L959-L1014 HydrophobicContact CD1-CG 4.45Å; L990-L1014 HydrophobicContact CD1-CD1 3.22Å; L990-L1014 HydrophobicContact CD2-CD1 4.27Å; L990-L1014 HydrophobicContact CG-CD1 4.36Å; F1010-L1014 HydrophobicContact CE1-CB 3.91Å; F1010-L1014 HydrophobicContact CZ-CB 3.96Å; F1010-L1014 HydrophobicContact CZ-CD1 4.18Å; P1011-L1014 HydrophobicContact CG-CB 4.42Å; P1011-L1014 HydrophobicContact CG-CD1 3.33Å; P1011-L1014 HydrophobicContact CG-CG 3.79Å; P1011-L1014 PolarHBondContact O-N 3.47Å; M1012-L1014 PolarHBondContact O-N 3.39Å; M1012-L1014 VanDerWaalsContact O-N 3.11Å; L1014-P1017 WeakPolarHBondContact O-CD 3.36Å; L1014-I1018 HydrophobicContact CB-CD1 4.17Å; L1014-I1018 WeakPolarHBondContact O-CB 3.43Å; L1014-I1018 VanDerWaalsContact O-CD1 3.32Å; L1014-I1018 WeakPolarHBondContact O-CD1 3.45Å; L1014-I1018 WeakPolarHBondContact O-CG1 3.12Å; L1014-I1018 PolarHBondContact O-N 2.68Å |
| 1015 | I | 73.1 | Confident | 65.7 | Low | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -65.3 | -48.1 | -172.5 | -63.1 | 177.2 | 0 | 0 | 0 | 110.7 | F1010 M1012 I1018 I1019 F1046 I1049 L1050 | F1010-I1015 HydrophobicContact CD1-CG1 4.27Å; F1010-I1015 HydrophobicContact CE1-CG1 3.94Å; M1012-I1015 HydrophobicContact CG-CD1 4.16Å; M1012-I1015 WeakPolarHBondContact O-CB 3.29Å; M1012-I1015 WeakPolarHBondContact O-CG1 3.43Å; M1012-I1015 PolarHBondContact O-N 3.48Å; I1015-I1018 PolarHBondContact O-N 3.33Å; I1015-I1019 HydrophobicContact CG2-CD1 3.51Å; I1015-I1019 HydrophobicContact CG2-CG1 4.24Å; I1015-I1019 WeakPolarHBondContact O-CB 3.32Å; I1015-I1019 VanDerWaalsContact O-CG1 3.27Å; I1015-I1019 WeakPolarHBondContact O-CG1 3.43Å; I1015-I1019 PolarHBondContact O-N 2.83Å; I1015-F1046 HydrophobicContact CD1-CD1 4.2Å; I1015-F1046 HydrophobicContact CG1-CD1 3.94Å; I1015-F1046 HydrophobicContact CG1-CE1 4.02Å; I1015-F1046 HydrophobicContact CG1-CG 4.43Å; I1015-F1046 HydrophobicContact CG2-CD1 4.4Å; I1015-F1046 HydrophobicContact CG2-CD2 4.04Å; I1015-F1046 HydrophobicContact CG2-CE2 4.22Å; I1015-F1046 HydrophobicContact CG2-CG 4.1Å; I1015-F1046 HydrophobicContact CG2-CZ 4.46Å; I1015-I1049 HydrophobicContact CD1-CB 4.23Å; I1015-I1049 HydrophobicContact CD1-CD1 4.47Å; I1015-I1049 HydrophobicContact CD1-CG2 3.92Å; I1015-L1050 HydrophobicContact CD1-CD2 4.14Å; I1015-L1050 HydrophobicContact CD1-CG 4.19Å |
| 1016 | S | 75.4 | Confident | 67.4 | Low | 31 Ų | 31 | 32.7 Ų | 32.7 | 22% | 0.217 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -60.5 | -52.8 | -179.6 | 156.7 | 0 | 0 | 0 | 0 | 112.9 | I1018 I1019 D1020 | S1016-I1018 VanDerWaalsContact C-N 3.26Å; S1016-I1018 PolarHBondContact O-N 3.19Å; S1016-I1019 PolarHBondContact O-N 2.78Å; S1016-I1019 VanDerWaalsContact O-N 3.09Å; S1016-D1020 PolarHBondContact O-N 3.44Å |
| 1017 | P | 71.8 | Confident | 69 | Low | 8 Ų | 8 | 34.4 Ų | 34.4 | 5% | 0.052 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -59.1 | -35.9 | 177.8 | -26 | 33.3 | 0 | 0 | 0 | 113.5 | L959 I960 N1013 L1014 I1021 | L959-P1017 HydrophobicContact CB-CB 3.63Å; L959-P1017 HydrophobicContact CD1-CB 4.36Å; I960-P1017 HydrophobicContact CG1-CB 4.43Å; I960-P1017 HydrophobicContact CG1-CG 4.18Å; N1013-P1017 WeakPolarHBondContact O-CD 3.37Å; L1014-P1017 WeakPolarHBondContact O-CD 3.36Å; P1017-I1021 WeakPolarHBondContact O-CD1 3.39Å; P1017-I1021 VanDerWaalsContact O-CG1 3.25Å; P1017-I1021 WeakPolarHBondContact O-CG1 3.09Å; P1017-I1021 PolarHBondContact O-N 3.43Å; P1017-I1021 VanDerWaalsContact O-N 3.1Å |
| 1018 | I | 76.3 | Confident | 70.3 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -67.4 | -44.9 | 176.4 | -66.9 | 166.9 | 0 | 0 | 0 | 110.3 | L959 I987 F1010 L1014 I1015 S1016 D1020 I1021 L1022 F1046 | L959-I1018 HydrophobicContact CD1-CD1 4.19Å; L959-I1018 HydrophobicContact CD1-CG1 3.76Å; L959-I1018 HydrophobicContact CD2-CG1 4.09Å; I987-I1018 HydrophobicContact CG1-CD1 4.31Å; F1010-I1018 HydrophobicContact CE1-CD1 4.38Å; F1010-I1018 HydrophobicContact CZ-CD1 3.68Å; L1014-I1018 HydrophobicContact CB-CD1 4.17Å; L1014-I1018 WeakPolarHBondContact O-CB 3.43Å; L1014-I1018 VanDerWaalsContact O-CD1 3.32Å; L1014-I1018 WeakPolarHBondContact O-CD1 3.45Å; L1014-I1018 WeakPolarHBondContact O-CG1 3.12Å; L1014-I1018 PolarHBondContact O-N 2.68Å; I1015-I1018 PolarHBondContact O-N 3.33Å; S1016-I1018 VanDerWaalsContact C-N 3.26Å; S1016-I1018 PolarHBondContact O-N 3.19Å; I1018-D1020 VanDerWaalsContact C-N 3.31Å; I1018-D1020 PolarHBondContact O-N 3.13Å; I1018-I1021 PolarHBondContact O-N 2.79Å; I1018-L1022 HydrophobicContact CG2-CD1 3.75Å; I1018-L1022 HydrophobicContact CG2-CG 4.17Å; I1018-L1022 WeakPolarHBondContact O-CB 3.49Å; I1018-L1022 VanDerWaalsContact O-CG 3.24Å; I1018-L1022 WeakPolarHBondContact O-CG 3.25Å; I1018-L1022 PolarHBondContact O-N 3.04Å; I1018-F1046 HydrophobicContact CB-CZ 4.2Å; I1018-F1046 HydrophobicContact CD1-CZ 4.24Å; I1018-F1046 HydrophobicContact CG2-CE2 4.24Å; I1018-F1046 HydrophobicContact CG2-CZ 3.85Å |
| 1019 | I | 77.4 | Confident | 71.3 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -59.4 | -44.4 | 176.7 | -71 | 169.3 | 0 | 0 | 0 | 110.4 | I1015 S1016 I1021 L1022 L1023 F1046 Q1082 L1083 L1086 | I1015-I1019 HydrophobicContact CG2-CD1 3.51Å; I1015-I1019 HydrophobicContact CG2-CG1 4.24Å; I1015-I1019 WeakPolarHBondContact O-CB 3.32Å; I1015-I1019 VanDerWaalsContact O-CG1 3.27Å; I1015-I1019 WeakPolarHBondContact O-CG1 3.43Å; I1015-I1019 PolarHBondContact O-N 2.83Å; S1016-I1019 PolarHBondContact O-N 2.78Å; S1016-I1019 VanDerWaalsContact O-N 3.09Å; I1019-I1021 PolarHBondContact O-N 2.96Å; I1019-L1022 PolarHBondContact O-N 3.23Å; I1019-L1023 HydrophobicContact CG2-CD1 3.8Å; I1019-L1023 HydrophobicContact CG2-CG 4.21Å; I1019-L1023 WeakPolarHBondContact O-CB 3.48Å; I1019-L1023 WeakPolarHBondContact O-CG 3.41Å; I1019-L1023 PolarHBondContact O-N 3.24Å; I1019-F1046 HydrophobicContact CG1-CD2 4.49Å; I1019-F1046 HydrophobicContact CG1-CE2 4.16Å; I1019-Q1082 HydrophobicContact CG2-CB 4.05Å; I1019-L1083 HydrophobicContact CD1-CB 3.86Å; I1019-L1083 HydrophobicContact CD1-CD1 4.39Å; I1019-L1083 HydrophobicContact CD1-CG 4.44Å; I1019-L1086 HydrophobicContact CG1-CD2 4.31Å; I1019-L1086 HydrophobicContact CG2-CB 4.08Å; I1019-L1086 HydrophobicContact CG2-CD2 4.32Å |
| 1020 | D | 72.9 | Confident | 71.9 | Confident | 59 Ų | 59 | 38.8 Ų | 38.8 | 32% | 0.316 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -60.7 | -44 | 178.7 | -70.1 | -19.8 | 0 | 0 | 0 | 112 | S1016 I1018 L1023 L1024 | S1016-D1020 PolarHBondContact O-N 3.44Å; I1018-D1020 VanDerWaalsContact C-N 3.31Å; I1018-D1020 PolarHBondContact O-N 3.13Å; D1020-L1023 PolarHBondContact O-N 3.43Å; D1020-L1024 VanDerWaalsContact O-CG 3.27Å; D1020-L1024 WeakPolarHBondContact O-CG 3.21Å; D1020-L1024 PolarHBondContact O-N 2.82Å; D1020-L1024 VanDerWaalsContact O-N 3.1Å |
| 1021 | I | 74.4 | Confident | 72.3 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -65.8 | -44.3 | 176.2 | -59.8 | 159.8 | 0 | 0 | 0 | 110.6 | L959 L962 A963 I979 I983 P1017 I1018 I1019 L1023 L1024 L1025 | L959-I1021 HydrophobicContact CB-CD1 4.25Å; L959-I1021 HydrophobicContact CD2-CD1 3.7Å; L962-I1021 HydrophobicContact CB-CD1 4.08Å; A963-I1021 HydrophobicContact CB-CD1 4.41Å; A963-I1021 HydrophobicContact CB-CG1 3.63Å; I979-I1021 HydrophobicContact CG2-CG2 4.18Å; I983-I1021 HydrophobicContact CD1-CB 4.24Å; I983-I1021 HydrophobicContact CD1-CD1 4.48Å; I983-I1021 HydrophobicContact CD1-CG2 3.52Å; P1017-I1021 WeakPolarHBondContact O-CD1 3.39Å; P1017-I1021 VanDerWaalsContact O-CG1 3.25Å; P1017-I1021 WeakPolarHBondContact O-CG1 3.09Å; P1017-I1021 PolarHBondContact O-N 3.43Å; P1017-I1021 VanDerWaalsContact O-N 3.1Å; I1018-I1021 PolarHBondContact O-N 2.79Å; I1019-I1021 PolarHBondContact O-N 2.96Å; I1021-L1023 VanDerWaalsContact C-N 3.32Å; I1021-L1023 PolarHBondContact O-N 3.24Å; I1021-L1024 PolarHBondContact O-N 3.5Å; I1021-L1025 HydrophobicContact CG2-CD1 3.83Å; I1021-L1025 HydrophobicContact CG2-CG 4.2Å; I1021-L1025 WeakPolarHBondContact O-CB 3.33Å; I1021-L1025 VanDerWaalsContact O-CG 3.26Å; I1021-L1025 WeakPolarHBondContact O-CG 3.32Å; I1021-L1025 PolarHBondContact O-N 2.64Å |
| 1022 | L | 77.6 | Confident | 72.4 | Confident | 11 Ų | 11 | 41.3 Ų | 41.3 | 6% | 0.058 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.6 | -40.7 | 179.3 | -69 | 173.7 | 0 | 0 | 0 | 111.2 | I1018 I1019 L1024 L1025 T1026 F1031 T1038 L1086 | I1018-L1022 HydrophobicContact CG2-CD1 3.75Å; I1018-L1022 HydrophobicContact CG2-CG 4.17Å; I1018-L1022 WeakPolarHBondContact O-CB 3.49Å; I1018-L1022 VanDerWaalsContact O-CG 3.24Å; I1018-L1022 WeakPolarHBondContact O-CG 3.25Å; I1018-L1022 PolarHBondContact O-N 3.04Å; I1019-L1022 PolarHBondContact O-N 3.23Å; L1022-L1024 PolarHBondContact O-N 2.88Å; L1022-L1025 PolarHBondContact O-N 3.45Å; L1022-L1025 VanDerWaalsContact O-N 3.14Å; L1022-T1026 WeakPolarHBondContact O-CG2 3.45Å; L1022-T1026 PolarHBondContact O-N 2.98Å; L1022-F1031 HydrophobicContact CD2-CE2 4.02Å; L1022-T1038 HydrophobicContact CD2-CG2 4.02Å; L1022-L1086 HydrophobicContact CB-CD1 3.66Å; L1022-L1086 HydrophobicContact CB-CD2 3.89Å; L1022-L1086 HydrophobicContact CB-CG 4.45Å; L1022-L1086 HydrophobicContact CD1-CD2 3.87Å |
| 1023 | L | 78.4 | Confident | 72.5 | Confident | 27 Ų | 27 | 43.6 Ų | 43.6 | 14% | 0.141 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -56 | -49.9 | 174.8 | -84.6 | 169.9 | 0 | 0 | 0 | 110.9 | I1019 D1020 I1021 L1025 T1026 E1085 L1086 T1089 | I1019-L1023 HydrophobicContact CG2-CD1 3.8Å; I1019-L1023 HydrophobicContact CG2-CG 4.21Å; I1019-L1023 WeakPolarHBondContact O-CB 3.48Å; I1019-L1023 WeakPolarHBondContact O-CG 3.41Å; I1019-L1023 PolarHBondContact O-N 3.24Å; D1020-L1023 PolarHBondContact O-N 3.43Å; I1021-L1023 VanDerWaalsContact C-N 3.32Å; I1021-L1023 PolarHBondContact O-N 3.24Å; L1023-L1025 VanDerWaalsContact C-N 3.3Å; L1023-L1025 PolarHBondContact O-N 3.18Å; L1023-T1026 PolarHBondContact O-N 3.45Å; L1023-T1026 PolarHBondContact O-OG1 3.01Å; L1023-E1085 HydrophobicContact CD2-CG 4.02Å; L1023-L1086 HydrophobicContact CB-CD1 4.45Å; L1023-L1086 VanDerWaalsContact CD2-CA 3.5Å; L1023-L1086 HydrophobicContact CD2-CB 4Å; L1023-L1086 HydrophobicContact CD2-CD1 4.01Å; L1023-L1086 HydrophobicContact CG-CB 4.1Å; L1023-L1086 HydrophobicContact CG-CD1 3.91Å; L1023-T1089 HydrophobicContact CD2-CG2 4Å; L1023-T1089 VanDerWaalsContact CD2-OG1 3.27Å; L1023-T1089 WeakPolarHBondContact CD2-OG1 3.33Å |
| 1024 | L | 73.4 | Confident | 72.8 | Confident | 52 Ų | 52 | 41.9 Ų | 41.9 | 27% | 0.272 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -62.3 | -37.3 | 177 | -67.7 | 166.7 | 0 | 0 | 0 | 112.1 | V966 R967 D1020 I1021 L1022 | V966-L1024 HydrophobicContact CB-CD1 4.37Å; V966-L1024 HydrophobicContact CG1-CB 3.81Å; V966-L1024 HydrophobicContact CG1-CD1 4.14Å; R967-L1024 HydrophobicContact CB-CD1 3.81Å; R967-L1024 HydrophobicContact CB-CD2 4.25Å; R967-L1024 HydrophobicContact CG-CD1 4.38Å; R967-L1024 HydrophobicContact CG-CD2 4.08Å; D1020-L1024 VanDerWaalsContact O-CG 3.27Å; D1020-L1024 WeakPolarHBondContact O-CG 3.21Å; D1020-L1024 PolarHBondContact O-N 2.82Å; D1020-L1024 VanDerWaalsContact O-N 3.1Å; I1021-L1024 PolarHBondContact O-N 3.5Å; L1022-L1024 PolarHBondContact O-N 2.88Å |
| 1025 | L | 74.3 | Confident | 73 | Confident | 6 Ų | 6 | 41.9 Ų | 41.9 | 3% | 0.031 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -73.9 | -23 | 179.2 | -69.5 | 174.4 | 0 | 0 | 0 | 113.7 | L976 I979 P980 I983 I1021 L1022 L1023 H1027 H1028 F1031 | L976-L1025 HydrophobicContact CD2-CD2 3.62Å; I979-L1025 HydrophobicContact CG2-CD1 4.42Å; P980-L1025 HydrophobicContact CG-CD1 4.25Å; I983-L1025 HydrophobicContact CD1-CD1 4.16Å; I1021-L1025 HydrophobicContact CG2-CD1 3.83Å; I1021-L1025 HydrophobicContact CG2-CG 4.2Å; I1021-L1025 WeakPolarHBondContact O-CB 3.33Å; I1021-L1025 VanDerWaalsContact O-CG 3.26Å; I1021-L1025 WeakPolarHBondContact O-CG 3.32Å; I1021-L1025 PolarHBondContact O-N 2.64Å; L1022-L1025 PolarHBondContact O-N 3.45Å; L1022-L1025 VanDerWaalsContact O-N 3.14Å; L1023-L1025 VanDerWaalsContact C-N 3.3Å; L1023-L1025 PolarHBondContact O-N 3.18Å; L1025-H1027 PolarHBondContact O-N 3.48Å; L1025-H1028 PolarHBondContact O-N 2.88Å; L1025-F1031 HydrophobicContact CB-CD2 4.05Å |
| 1026 | T | 72.2 | Confident | 73.1 | Confident | 2 Ų | 2 | 47.7 Ų | 47.7 | 1% | 0.012 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -25.4 | -176.1 | 64.8 | 0 | 0 | 0 | 0 | 113.8 | L1022 L1023 H1028 F1031 L1086 I1090 N1093 | L1022-T1026 WeakPolarHBondContact O-CG2 3.45Å; L1022-T1026 PolarHBondContact O-N 2.98Å; L1023-T1026 PolarHBondContact O-N 3.45Å; L1023-T1026 PolarHBondContact O-OG1 3.01Å; T1026-H1028 VanDerWaalsContact C-N 3.31Å; T1026-F1031 HydrophobicContact CG2-CE1 4.43Å; T1026-F1031 HydrophobicContact CG2-CE2 4.49Å; T1026-F1031 HydrophobicContact CG2-CZ 4.28Å; T1026-L1086 HydrophobicContact CG2-CD1 3.83Å; T1026-I1090 HydrophobicContact CG2-CG1 3.66Å; T1026-N1093 PolarHBondContact OG1-ND2 3.38Å |
| 1027 | H | 69.6 | Low | 73.1 | Confident | 137 Ų | 137 | 51.4 Ų | 51.4 | 63% | 0.634 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78 | -12.1 | 179 | -65 | -66.8 | 0 | 0 | 0 | 113.9 | L1025 N1093 | L1025-H1027 PolarHBondContact O-N 3.48Å; H1027-N1093 PolarHBondContact CE1-ND2 2.92Å; H1027-N1093 VanDerWaalsContact CE1-ND2 3.28Å; H1027-N1093 PolarHBondContact ND1-ND2 3.48Å |
| 1028 | H | 69.4 | Low | 73.3 | Confident | 46 Ų | 46 | 51.3 Ų | 51.3 | 21% | 0.213 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -101.2 | 140.7 | -175.5 | -66 | -78 | 0 | 0 | 0 | 112.2 | L1025 T1026 I1030 F1031 | L1025-H1028 PolarHBondContact O-N 2.88Å; T1026-H1028 VanDerWaalsContact C-N 3.31Å; H1028-I1030 PolarHBondContact O-N 2.64Å; H1028-F1031 VanDerWaalsContact O-CB 3.3Å; H1028-F1031 WeakPolarHBondContact O-CB 3.22Å; H1028-F1031 PolarHBondContact O-N 2.86Å |
| 1029 | K | 67 | Low | 73.4 | Confident | 200 Ų | 200 | 51.4 Ų | 51.4 | 87% | 0.87 | 26% | 0.257 | S | S | * | . | G | 310 helix | trans | -56.4 | -21.9 | 177.7 | -67.2 | -174.9 | 178.4 | -178.7 | 0 | 114.1 | F1031 L1032 | K1029-F1031 PolarHBondContact O-N 3.07Å; K1029-L1032 PolarHBondContact O-N 3.48Å |
| 1030 | I | 66.1 | Low | 73.3 | Confident | 52 Ų | 52 | 54.5 Ų | 54.5 | 27% | 0.267 | 27% | 0.271 | S | S | . | . | G | 310 helix | trans | -66.6 | -19.5 | 178.6 | -56 | 169.7 | 0 | 0 | 0 | 111.3 | N973 L976 P980 H1028 P1033 | N973-I1030 WeakPolarHBondContact O-CD1 3.46Å; L976-I1030 HydrophobicContact CB-CD1 3.83Å; P980-I1030 HydrophobicContact CG-CG2 4.33Å; H1028-I1030 PolarHBondContact O-N 2.64Å; I1030-P1033 VanDerWaalsContact O-CD 3.25Å; I1030-P1033 WeakPolarHBondContact O-CD 3.46Å |
| 1031 | F | 71.2 | Confident | 73.6 | Confident | 7 Ų | 7 | 53 Ų | 53 | 3% | 0.031 | 26% | 0.263 | C | S | . | . | G | 310 helix | trans | -74.2 | -27.2 | 180 | -167.4 | -97.7 | 0 | 0 | 0 | 113.4 | L1022 L1025 T1026 H1028 K1029 P1033 I1034 L1035 T1038 I1090 | L1022-F1031 HydrophobicContact CD2-CE2 4.02Å; L1025-F1031 HydrophobicContact CB-CD2 4.05Å; T1026-F1031 HydrophobicContact CG2-CE1 4.43Å; T1026-F1031 HydrophobicContact CG2-CE2 4.49Å; T1026-F1031 HydrophobicContact CG2-CZ 4.28Å; H1028-F1031 VanDerWaalsContact O-CB 3.3Å; H1028-F1031 WeakPolarHBondContact O-CB 3.22Å; H1028-F1031 PolarHBondContact O-N 2.86Å; K1029-F1031 PolarHBondContact O-N 3.07Å; F1031-P1033 VanDerWaalsContact C-CD 3.48Å; F1031-I1034 PolarHBondContact O-N 3.29Å; F1031-L1035 HydrophobicContact CD1-CB 4.27Å; F1031-L1035 HydrophobicContact CD1-CD1 4.19Å; F1031-L1035 HydrophobicContact CD1-CG 4.43Å; F1031-L1035 HydrophobicContact CE1-CB 4.11Å; F1031-L1035 HydrophobicContact CE1-CD1 4.15Å; F1031-L1035 HydrophobicContact CE1-CG 4.04Å; F1031-L1035 PolarHBondContact O-N 3.12Å; F1031-L1035 VanDerWaalsContact O-N 3.13Å; F1031-T1038 HydrophobicContact CE2-CG2 3.9Å; F1031-T1038 HydrophobicContact CZ-CG2 3.77Å; F1031-I1090 HydrophobicContact CE1-CD1 3.96Å; F1031-I1090 HydrophobicContact CE1-CG1 3.69Å; F1031-I1090 HydrophobicContact CE1-CG2 4.07Å; F1031-I1090 HydrophobicContact CZ-CD1 3.73Å; F1031-I1090 HydrophobicContact CZ-CG1 3.84Å |
| 1032 | L | 71.4 | Confident | 73.9 | Confident | 82 Ų | 82 | 53 Ų | 53 | 43% | 0.429 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | -40.8 | -171.9 | -158.8 | 74.6 | 0 | 0 | 0 | 114.7 | K1029 I1034 L1035 N1094 | K1029-L1032 PolarHBondContact O-N 3.48Å; L1032-I1034 VanDerWaalsContact C-N 3.31Å; L1032-I1034 PolarHBondContact O-N 3.46Å; L1032-L1035 HydrophobicContact CD1-CD1 4.48Å; L1032-L1035 WeakPolarHBondContact O-CB 3.38Å; L1032-N1094 HydrophobicContact CD1-CB 4.44Å |
| 1033 | P | 71.6 | Confident | 73.8 | Confident | 106 Ų | 106 | 52.8 Ų | 52.8 | 69% | 0.688 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | -26.8 | 177.4 | -18.8 | 33.2 | 0 | 0 | 0 | 114.2 | I1030 F1031 | I1030-P1033 VanDerWaalsContact O-CD 3.25Å; I1030-P1033 WeakPolarHBondContact O-CD 3.46Å; F1031-P1033 VanDerWaalsContact C-CD 3.48Å |
| 1034 | I | 73.9 | Confident | 73.6 | Confident | 53 Ų | 53 | 53.1 Ų | 53.1 | 27% | 0.272 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.2 | -11.8 | -172.3 | -47.3 | 179 | 0 | 0 | 0 | 110.5 | P980 F1031 L1032 K1036 D1037 T1038 | P980-I1034 HydrophobicContact CB-CD1 3.14Å; P980-I1034 HydrophobicContact CG-CD1 3.86Å; F1031-I1034 PolarHBondContact O-N 3.29Å; L1032-I1034 VanDerWaalsContact C-N 3.31Å; L1032-I1034 PolarHBondContact O-N 3.46Å; I1034-K1036 VanDerWaalsContact C-N 3.29Å; I1034-K1036 PolarHBondContact O-N 2.88Å; I1034-K1036 VanDerWaalsContact O-N 3.17Å; I1034-D1037 HydrophobicContact CG2-CB 4.48Å; I1034-D1037 PolarHBondContact O-N 2.94Å; I1034-T1038 HydrophobicContact CG2-CG2 3.9Å; I1034-T1038 WeakPolarHBondContact O-CG2 3.41Å; I1034-T1038 PolarHBondContact O-N 3.14Å |
| 1035 | L | 76.1 | Confident | 73.6 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -55.4 | -39.8 | -171.9 | -173.1 | 154 | 0 | 0 | 0 | 113.2 | F1031 L1032 T1038 F1039 I1090 N1094 F1097 | F1031-L1035 HydrophobicContact CD1-CB 4.27Å; F1031-L1035 HydrophobicContact CD1-CD1 4.19Å; F1031-L1035 HydrophobicContact CD1-CG 4.43Å; F1031-L1035 HydrophobicContact CE1-CB 4.11Å; F1031-L1035 HydrophobicContact CE1-CD1 4.15Å; F1031-L1035 HydrophobicContact CE1-CG 4.04Å; F1031-L1035 PolarHBondContact O-N 3.12Å; F1031-L1035 VanDerWaalsContact O-N 3.13Å; L1032-L1035 HydrophobicContact CD1-CD1 4.48Å; L1032-L1035 WeakPolarHBondContact O-CB 3.38Å; L1035-T1038 WeakPolarHBondContact CA-OG1 3.46Å; L1035-T1038 PolarHBondContact O-N 3.12Å; L1035-T1038 PolarHBondContact O-OG1 3.27Å; L1035-F1039 HydrophobicContact CD2-CD2 3.67Å; L1035-F1039 HydrophobicContact CD2-CE2 3.42Å; L1035-F1039 VanDerWaalsContact CD2-CE2 3.42Å; L1035-F1039 HydrophobicContact CG-CD2 4.33Å; L1035-F1039 HydrophobicContact CG-CE2 4Å; L1035-F1039 VanDerWaalsContact O-CD2 3.24Å; L1035-F1039 WeakPolarHBondContact O-CD2 3.39Å; L1035-F1039 PolarHBondContact O-N 3.45Å; L1035-F1039 VanDerWaalsContact O-N 3.11Å; L1035-I1090 HydrophobicContact CD1-CG2 3.68Å; L1035-I1090 HydrophobicContact CD2-CG2 4.38Å; L1035-I1090 HydrophobicContact CG-CG2 3.78Å; L1035-N1094 HydrophobicContact CD1-CB 3.49Å; L1035-N1094 VanDerWaalsContact CD1-CB 3.49Å; L1035-F1097 HydrophobicContact CD1-CB 4.34Å; L1035-F1097 HydrophobicContact CD1-CG 4.26Å; L1035-F1097 HydrophobicContact CD2-CB 4.38Å; L1035-F1097 HydrophobicContact CD2-CD1 3.27Å; L1035-F1097 HydrophobicContact CD2-CD2 3.76Å; L1035-F1097 HydrophobicContact CD2-CE1 3.24Å; L1035-F1097 HydrophobicContact CD2-CE2 3.74Å; L1035-F1097 HydrophobicContact CD2-CG 3.53Å; L1035-F1097 HydrophobicContact CD2-CZ 3.48Å; L1035-F1097 VanDerWaalsContact CD2-CZ 3.48Å |
| 1036 | K | 74.3 | Confident | 73.8 | Confident | 123 Ų | 123 | 52.1 Ų | 52.1 | 54% | 0.535 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -63.2 | -47.7 | 174.6 | -173.2 | 178.7 | 178.8 | -179.1 | 0 | 111.8 | I1034 T1038 F1039 E1040 I1138 | I1034-K1036 VanDerWaalsContact C-N 3.29Å; I1034-K1036 PolarHBondContact O-N 2.88Å; I1034-K1036 VanDerWaalsContact O-N 3.17Å; K1036-T1038 VanDerWaalsContact C-N 3.29Å; K1036-T1038 PolarHBondContact O-N 3.06Å; K1036-F1039 PolarHBondContact O-N 3.46Å; K1036-E1040 PolarHBondContact O-N 3.39Å; K1036-E1040 VanDerWaalsContact O-N 3.1Å; K1036-I1138 HydrophobicContact CG-CD1 4.2Å |
| 1037 | D | 76 | Confident | 74.1 | Confident | 108 Ų | 108 | 52.5 Ų | 52.5 | 58% | 0.578 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -65.7 | -34.3 | 179.7 | -60.5 | -20.9 | 0 | 0 | 0 | 111.3 | I1034 E1040 L1041 | I1034-D1037 HydrophobicContact CG2-CB 4.48Å; I1034-D1037 PolarHBondContact O-N 2.94Å; D1037-E1040 PolarHBondContact O-N 3.45Å; D1037-L1041 WeakPolarHBondContact O-CB 3.23Å; D1037-L1041 PolarHBondContact O-N 3.04Å |
| 1038 | T | 76.7 | Confident | 74.4 | Confident | 7 Ų | 7 | 46.4 Ų | 46.4 | 4% | 0.043 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -65.7 | -39.1 | 174.5 | 60.9 | 0 | 0 | 0 | 0 | 112.6 | L1022 F1031 I1034 L1035 K1036 L1041 C1042 | L1022-T1038 HydrophobicContact CD2-CG2 4.02Å; F1031-T1038 HydrophobicContact CE2-CG2 3.9Å; F1031-T1038 HydrophobicContact CZ-CG2 3.77Å; I1034-T1038 HydrophobicContact CG2-CG2 3.9Å; I1034-T1038 WeakPolarHBondContact O-CG2 3.41Å; I1034-T1038 PolarHBondContact O-N 3.14Å; L1035-T1038 WeakPolarHBondContact CA-OG1 3.46Å; L1035-T1038 PolarHBondContact O-N 3.12Å; L1035-T1038 PolarHBondContact O-OG1 3.27Å; K1036-T1038 VanDerWaalsContact C-N 3.29Å; K1036-T1038 PolarHBondContact O-N 3.06Å; T1038-L1041 PolarHBondContact O-N 3.35Å; T1038-C1042 PolarHBondContact O-N 3.3Å; T1038-C1042 PolarHBondContact O-SG 3.36Å |
| 1039 | F | 76.5 | Confident | 74.7 | Confident | 2 Ų | 2 | 45.3 Ų | 45.3 | 1% | 0.009 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -66.1 | -45.3 | 176 | -83.5 | -58.4 | 0 | 0 | 0 | 111.9 | L1035 K1036 L1041 C1042 I1043 I1087 I1090 F1098 I1138 L1142 | L1035-F1039 HydrophobicContact CD2-CD2 3.67Å; L1035-F1039 HydrophobicContact CD2-CE2 3.42Å; L1035-F1039 VanDerWaalsContact CD2-CE2 3.42Å; L1035-F1039 HydrophobicContact CG-CD2 4.33Å; L1035-F1039 HydrophobicContact CG-CE2 4Å; L1035-F1039 VanDerWaalsContact O-CD2 3.24Å; L1035-F1039 WeakPolarHBondContact O-CD2 3.39Å; L1035-F1039 PolarHBondContact O-N 3.45Å; L1035-F1039 VanDerWaalsContact O-N 3.11Å; K1036-F1039 PolarHBondContact O-N 3.46Å; F1039-L1041 VanDerWaalsContact C-N 3.26Å; F1039-L1041 PolarHBondContact O-N 2.96Å; F1039-C1042 PolarHBondContact O-N 3.49Å; F1039-I1043 WeakPolarHBondContact O-CB 3.4Å; F1039-I1043 VanDerWaalsContact O-CG1 3.31Å; F1039-I1043 WeakPolarHBondContact O-CG1 3.39Å; F1039-I1043 PolarHBondContact O-N 3.28Å; F1039-I1087 HydrophobicContact CE1-CB 4.47Å; F1039-I1087 HydrophobicContact CE1-CG1 4.24Å; F1039-I1087 HydrophobicContact CE1-CG2 4.09Å; F1039-I1090 HydrophobicContact CE1-CD1 4.48Å; F1039-I1090 HydrophobicContact CE1-CG2 4.37Å; F1039-I1090 HydrophobicContact CE2-CG2 3.54Å; F1039-I1090 HydrophobicContact CZ-CB 3.95Å; F1039-I1090 HydrophobicContact CZ-CD1 4.39Å; F1039-I1090 HydrophobicContact CZ-CG2 3.36Å; F1039-F1098 HydrophobicContact CD2-CZ 4.43Å; F1039-F1098 HydrophobicContact CE2-CE1 4.44Å; F1039-F1098 HydrophobicContact CE2-CE2 4.12Å; F1039-F1098 AromaticContact CE2-CZ 3.48Å; F1039-F1098 HydrophobicContact CE2-CZ 3.48Å; F1039-F1098 VanDerWaalsContact CE2-CZ 3.48Å; F1039-F1098 HydrophobicContact CZ-CE2 4.18Å; F1039-F1098 AromaticContact CZ-CZ 3.6Å; F1039-F1098 HydrophobicContact CZ-CZ 3.6Å; F1039-I1138 HydrophobicContact CB-CG2 4.38Å; F1039-I1138 HydrophobicContact CD2-CG2 4.11Å; F1039-I1138 HydrophobicContact CG-CG2 4.16Å; F1039-L1142 HydrophobicContact CD1-CD1 4.03Å; F1039-L1142 HydrophobicContact CD1-CD2 4.05Å; F1039-L1142 HydrophobicContact CE1-CD1 3.56Å; F1039-L1142 HydrophobicContact CE1-CD2 4.03Å; F1039-L1142 HydrophobicContact CE1-CG 4.38Å; F1039-L1142 HydrophobicContact CZ-CD1 3.89Å |
| 1040 | E | 77.1 | Confident | 75.1 | Confident | 64 Ų | 64 | 35.9 Ų | 35.9 | 30% | 0.299 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -60.9 | -38 | 175.2 | -68.9 | -65.6 | 158.5 | 0 | 0 | 111.1 | K1036 D1037 C1044 R1141 | K1036-E1040 PolarHBondContact O-N 3.39Å; K1036-E1040 VanDerWaalsContact O-N 3.1Å; D1037-E1040 PolarHBondContact O-N 3.45Å; E1040-C1044 WeakPolarHBondContact O-CA 3.47Å; E1040-C1044 WeakPolarHBondContact O-CB 3.33Å; E1040-C1044 PolarHBondContact O-N 3.08Å; E1040-C1044 PolarHBondContact OE2-SG 2.84Å; E1040-R1141 IonicContact OE1-NH1 3.02Å |
| 1041 | L | 79.1 | Confident | 75.5 | Confident | 27 Ų | 27 | 33.4 Ų | 33.4 | 14% | 0.141 | 18% | 0.179 | C | C | . | . | I | π-helix | trans | -66.5 | -44.6 | 175.7 | -177.7 | 137 | 0 | 0 | 0 | 112.8 | I987 D1037 T1038 F1039 V1045 F1046 | I987-L1041 HydrophobicContact CD1-CD1 3.32Å; I987-L1041 HydrophobicContact CG1-CD1 4.22Å; I987-L1041 HydrophobicContact CG2-CD1 3.82Å; D1037-L1041 WeakPolarHBondContact O-CB 3.23Å; D1037-L1041 PolarHBondContact O-N 3.04Å; T1038-L1041 PolarHBondContact O-N 3.35Å; F1039-L1041 VanDerWaalsContact C-N 3.26Å; F1039-L1041 PolarHBondContact O-N 2.96Å; L1041-V1045 WeakPolarHBondContact O-CB 3.5Å; L1041-V1045 PolarHBondContact O-N 3.42Å; L1041-F1046 HydrophobicContact CD2-CD1 4.23Å; L1041-F1046 HydrophobicContact CD2-CD2 3.78Å; L1041-F1046 HydrophobicContact CD2-CE1 3.76Å; L1041-F1046 HydrophobicContact CD2-CE2 3.25Å; L1041-F1046 HydrophobicContact CD2-CG 4.26Å; L1041-F1046 HydrophobicContact CD2-CZ 3.26Å; L1041-F1046 HydrophobicContact CG-CE1 4.39Å; L1041-F1046 HydrophobicContact CG-CZ 4.32Å; L1041-F1046 PolarHBondContact O-N 2.86Å |
| 1042 | C | 79.5 | Confident | 75.5 | Confident | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 20% | 0.198 | C | C | . | . | I | π-helix | trans | -62.8 | -42.7 | 176.4 | -69.6 | 0 | 0 | 0 | 0 | 112 | T1038 F1039 L1047 L1083 | T1038-C1042 PolarHBondContact O-N 3.3Å; T1038-C1042 PolarHBondContact O-SG 3.36Å; F1039-C1042 PolarHBondContact O-N 3.49Å; C1042-L1047 PolarHBondContact O-N 2.67Å; C1042-L1047 VanDerWaalsContact O-N 3.1Å; C1042-L1083 HydrophobicContact CB-CD1 4.44Å |
| 1043 | I | 76.9 | Confident | 75.4 | Confident | 7 Ų | 7 | 34.8 Ų | 34.8 | 4% | 0.036 | 19% | 0.189 | C | C | . | . | I | π-helix | trans | -83.9 | -48.6 | -173.3 | -63.2 | 172 | 0 | 0 | 0 | 111.7 | F1039 P1048 Y1058 L1142 I1145 | F1039-I1043 WeakPolarHBondContact O-CB 3.4Å; F1039-I1043 VanDerWaalsContact O-CG1 3.31Å; F1039-I1043 WeakPolarHBondContact O-CG1 3.39Å; F1039-I1043 PolarHBondContact O-N 3.28Å; I1043-P1048 VanDerWaalsContact O-CD 3.29Å; I1043-P1048 WeakPolarHBondContact O-CD 3.2Å; I1043-Y1058 HydrophobicContact CG2-CD2 3.92Å; I1043-Y1058 HydrophobicContact CG2-CE1 4.01Å; I1043-Y1058 HydrophobicContact CG2-CE2 3.3Å; I1043-L1142 HydrophobicContact CD1-CD2 4.06Å; I1043-I1145 HydrophobicContact CD1-CD1 3.94Å; I1043-I1145 HydrophobicContact CG1-CD1 3.89Å; I1043-I1145 HydrophobicContact CG2-CD1 4.22Å |
| 1044 | C | 73.1 | Confident | 74.9 | Confident | 35 Ų | 35 | 34.9 Ų | 34.9 | 24% | 0.236 | 19% | 0.19 | C | C | . | . | I | π-helix | trans | -89.3 | -19.9 | -171.7 | -58.9 | 0 | 0 | 0 | 0 | 113.9 | E1040 Y1058 | E1040-C1044 WeakPolarHBondContact O-CA 3.47Å; E1040-C1044 WeakPolarHBondContact O-CB 3.33Å; E1040-C1044 PolarHBondContact O-N 3.08Å; E1040-C1044 PolarHBondContact OE2-SG 2.84Å; C1044-Y1058 HydrophobicContact CB-CG 4.49Å; C1044-Y1058 VanDerWaalsContact SG-CD1 3.57Å |
| 1045 | V | 73.5 | Confident | 74.4 | Confident | 36 Ų | 36 | 38 Ų | 38 | 22% | 0.218 | 21% | 0.207 | C | C | . | . | I | π-helix | trans | -111.7 | -60.6 | -179.8 | -174.9 | 0 | 0 | 0 | 0 | 111 | L1041 P1048 I1049 | L1041-V1045 WeakPolarHBondContact O-CB 3.5Å; L1041-V1045 PolarHBondContact O-N 3.42Å; V1045-P1048 WeakPolarHBondContact O-CD 3.41Å; V1045-I1049 HydrophobicContact CG1-CD1 3.75Å; V1045-I1049 WeakPolarHBondContact O-CD1 3.44Å; V1045-I1049 WeakPolarHBondContact O-CG1 3.46Å; V1045-I1049 PolarHBondContact O-N 2.97Å |
| 1046 | F | 79.4 | Confident | 73.7 | Confident | 1 Ų | 1 | 40 Ų | 40 | 0% | 0.004 | 22% | 0.219 | C | C | . | . | I | π-helix | trans | -67.4 | -44.6 | -172.1 | -67.5 | -13.3 | 0 | 0 | 0 | 113.7 | F1010 I1015 I1018 I1019 L1041 I1049 L1050 L1083 | F1010-F1046 HydrophobicContact CD1-CE1 4.41Å; F1010-F1046 HydrophobicContact CE1-CD1 4.48Å; F1010-F1046 AromaticContact CE1-CE1 3.8Å; F1010-F1046 HydrophobicContact CE1-CE1 3.8Å; F1010-F1046 HydrophobicContact CZ-CE1 4.15Å; I1015-F1046 HydrophobicContact CD1-CD1 4.2Å; I1015-F1046 HydrophobicContact CG1-CD1 3.94Å; I1015-F1046 HydrophobicContact CG1-CE1 4.02Å; I1015-F1046 HydrophobicContact CG1-CG 4.43Å; I1015-F1046 HydrophobicContact CG2-CD1 4.4Å; I1015-F1046 HydrophobicContact CG2-CD2 4.04Å; I1015-F1046 HydrophobicContact CG2-CE2 4.22Å; I1015-F1046 HydrophobicContact CG2-CG 4.1Å; I1015-F1046 HydrophobicContact CG2-CZ 4.46Å; I1018-F1046 HydrophobicContact CB-CZ 4.2Å; I1018-F1046 HydrophobicContact CD1-CZ 4.24Å; I1018-F1046 HydrophobicContact CG2-CE2 4.24Å; I1018-F1046 HydrophobicContact CG2-CZ 3.85Å; I1019-F1046 HydrophobicContact CG1-CD2 4.49Å; I1019-F1046 HydrophobicContact CG1-CE2 4.16Å; L1041-F1046 HydrophobicContact CD2-CD1 4.23Å; L1041-F1046 HydrophobicContact CD2-CD2 3.78Å; L1041-F1046 HydrophobicContact CD2-CE1 3.76Å; L1041-F1046 HydrophobicContact CD2-CE2 3.25Å; L1041-F1046 HydrophobicContact CD2-CG 4.26Å; L1041-F1046 HydrophobicContact CD2-CZ 3.26Å; L1041-F1046 HydrophobicContact CG-CE1 4.39Å; L1041-F1046 HydrophobicContact CG-CZ 4.32Å; L1041-F1046 PolarHBondContact O-N 2.86Å; F1046-I1049 PolarHBondContact O-N 3.03Å; F1046-L1050 VanDerWaalsContact O-CG 3.28Å; F1046-L1050 WeakPolarHBondContact O-CG 3.35Å; F1046-L1050 PolarHBondContact O-N 3.5Å; F1046-L1083 HydrophobicContact CB-CD1 3.64Å; F1046-L1083 HydrophobicContact CD2-CD1 4.03Å; F1046-L1083 HydrophobicContact CG-CD1 4.36Å |
| 1047 | L | 77.8 | Confident | 73.3 | Confident | 10 Ų | 10 | 38.3 Ų | 38.3 | 5% | 0.052 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -62.6 | -44.2 | -177.5 | -176.8 | 151.2 | 0 | 0 | 0 | 113 | C1042 I1049 L1050 S1051 L1068 I1069 I1145 | C1042-L1047 PolarHBondContact O-N 2.67Å; C1042-L1047 VanDerWaalsContact O-N 3.1Å; L1047-I1049 VanDerWaalsContact C-N 3.34Å; L1047-I1049 PolarHBondContact O-N 3.04Å; L1047-L1050 PolarHBondContact O-N 3.29Å; L1047-S1051 PolarHBondContact O-N 3.29Å; L1047-L1068 HydrophobicContact CD2-CB 3.57Å; L1047-L1068 HydrophobicContact CD2-CD1 3.87Å; L1047-L1068 HydrophobicContact CD2-CG 4.3Å; L1047-I1069 HydrophobicContact CD1-CG1 3.87Å; L1047-I1069 HydrophobicContact CD2-CG1 4.38Å; L1047-I1069 HydrophobicContact CG-CG1 4.41Å; L1047-I1145 HydrophobicContact CD1-CG2 4.48Å |
| 1048 | P | 77 | Confident | 72.7 | Confident | 9 Ų | 9 | 34.5 Ų | 34.5 | 6% | 0.058 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -57.3 | -41.6 | 170.5 | -29.8 | 36.3 | 0 | 0 | 0 | 114.4 | I1043 V1045 S1051 L1068 | I1043-P1048 VanDerWaalsContact O-CD 3.29Å; I1043-P1048 WeakPolarHBondContact O-CD 3.2Å; V1045-P1048 WeakPolarHBondContact O-CD 3.41Å; P1048-S1051 WeakPolarHBondContact O-CB 3.41Å; P1048-S1051 PolarHBondContact O-N 2.92Å; P1048-S1051 PolarHBondContact O-OG 2.92Å; P1048-L1068 HydrophobicContact CB-CD2 4.49Å; P1048-L1068 HydrophobicContact CG-CD1 4.39Å |
| 1049 | I | 74.3 | Confident | 72.4 | Confident | 23 Ų | 23 | 36.6 Ų | 36.6 | 12% | 0.118 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -68.2 | -43.8 | -178.7 | -61.9 | 156.3 | 0 | 0 | 0 | 111.1 | F1010 M1012 I1015 V1045 F1046 L1047 S1051 T1052 | F1010-I1049 HydrophobicContact CB-CD1 3.55Å; F1010-I1049 HydrophobicContact CD1-CD1 3.81Å; F1010-I1049 HydrophobicContact CG-CD1 4.02Å; M1012-I1049 HydrophobicContact CB-CG2 4.49Å; M1012-I1049 HydrophobicContact CG-CG2 4.15Å; I1015-I1049 HydrophobicContact CD1-CB 4.23Å; I1015-I1049 HydrophobicContact CD1-CD1 4.47Å; I1015-I1049 HydrophobicContact CD1-CG2 3.92Å; V1045-I1049 HydrophobicContact CG1-CD1 3.75Å; V1045-I1049 WeakPolarHBondContact O-CD1 3.44Å; V1045-I1049 WeakPolarHBondContact O-CG1 3.46Å; V1045-I1049 PolarHBondContact O-N 2.97Å; F1046-I1049 PolarHBondContact O-N 3.03Å; L1047-I1049 VanDerWaalsContact C-N 3.34Å; L1047-I1049 PolarHBondContact O-N 3.04Å; I1049-S1051 PolarHBondContact O-N 3.02Å; I1049-T1052 PolarHBondContact O-N 2.93Å |
| 1050 | L | 76.3 | Confident | 71.8 | Confident | 1 Ų | 1 | 41.3 Ų | 41.3 | 1% | 0.005 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -64 | -28.1 | -179.8 | -69.8 | 168.4 | 0 | 0 | 0 | 112.2 | M1012 I1015 F1046 L1047 T1052 A1072 N1076 L1079 I1080 L1083 | M1012-L1050 HydrophobicContact CG-CD2 4.3Å; I1015-L1050 HydrophobicContact CD1-CD2 4.14Å; I1015-L1050 HydrophobicContact CD1-CG 4.19Å; F1046-L1050 VanDerWaalsContact O-CG 3.28Å; F1046-L1050 WeakPolarHBondContact O-CG 3.35Å; F1046-L1050 PolarHBondContact O-N 3.5Å; L1047-L1050 PolarHBondContact O-N 3.29Å; L1050-T1052 PolarHBondContact O-N 3.3Å; L1050-A1072 HydrophobicContact CB-CB 3.97Å; L1050-A1072 WeakPolarHBondContact O-CA 3.49Å; L1050-N1076 HydrophobicContact CD2-CB 3.99Å; L1050-N1076 PolarHBondContact O-ND2 2.8Å; L1050-L1079 HydrophobicContact CD2-CB 3.81Å; L1050-L1079 HydrophobicContact CD2-CD1 3.82Å; L1050-L1079 HydrophobicContact CD2-CG 4.48Å; L1050-I1080 HydrophobicContact CB-CD1 4.48Å; L1050-I1080 HydrophobicContact CB-CG1 4.41Å; L1050-I1080 HydrophobicContact CD1-CG1 3.86Å; L1050-L1083 HydrophobicContact CD1-CD1 3.94Å |
| 1051 | S | 73.2 | Confident | 71.7 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -18 | 175.4 | 82.7 | 0 | 0 | 0 | 0 | 114 | L1047 P1048 I1049 I1053 L1068 | L1047-S1051 PolarHBondContact O-N 3.29Å; P1048-S1051 WeakPolarHBondContact O-CB 3.41Å; P1048-S1051 PolarHBondContact O-N 2.92Å; P1048-S1051 PolarHBondContact O-OG 2.92Å; I1049-S1051 PolarHBondContact O-N 3.02Å; S1051-I1053 PolarHBondContact O-N 3.41Å; S1051-I1053 WeakPolarHBondContact OG-CG1 3.43Å; S1051-I1053 PolarHBondContact OG-N 3.11Å; S1051-L1068 VanDerWaalsContact CB-O 3.24Å; S1051-L1068 WeakPolarHBondContact CB-O 2.99Å; S1051-L1068 WeakPolarHBondContact OG-CD2 3.47Å |
| 1052 | T | 72.2 | Confident | 71.5 | Confident | 71 Ų | 71 | 46.2 Ų | 46.2 | 44% | 0.436 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.1 | 9.4 | -175.4 | 65.4 | 0 | 0 | 0 | 0 | 115.7 | M1012 I1049 L1050 P1054 N1075 | M1012-T1052 HydrophobicContact CE-CG2 3.72Å; I1049-T1052 PolarHBondContact O-N 2.93Å; L1050-T1052 PolarHBondContact O-N 3.3Å; T1052-P1054 WeakPolarHBondContact O-CD 3.37Å; T1052-N1075 HydrophobicContact CG2-CB 4.43Å; T1052-N1075 PolarHBondContact OG1-ND2 3.45Å |
| 1053 | I | 68.9 | Low | 71.3 | Confident | 47 Ų | 47 | 53.7 Ų | 53.7 | 24% | 0.241 | 30% | 0.301 | C | S | . | . | trans | -77.3 | 119.1 | 179.1 | -45.9 | 174.6 | 0 | 0 | 0 | 108.7 | S1051 V1056 Q1067 L1068 N1071 | S1051-I1053 PolarHBondContact O-N 3.41Å; S1051-I1053 WeakPolarHBondContact OG-CG1 3.43Å; S1051-I1053 PolarHBondContact OG-N 3.11Å; I1053-V1056 HydrophobicContact CB-CB 4.4Å; I1053-V1056 HydrophobicContact CB-CG2 3.6Å; I1053-V1056 HydrophobicContact CD1-CG2 4.48Å; I1053-V1056 HydrophobicContact CG2-CG2 3.31Å; I1053-Q1067 HydrophobicContact CD1-CB 4.49Å; I1053-L1068 HydrophobicContact CD1-CD2 4.12Å; I1053-N1071 HydrophobicContact CD1-CB 4.35Å; I1053-N1071 WeakPolarHBondContact CD1-ND2 3.42Å; I1053-N1071 HydrophobicContact CG1-CB 4.35Å; I1053-N1071 WeakPolarHBondContact CG1-ND2 2.85Å | ||
| 1054 | P | 62.4 | Low | 71.2 | Confident | 108 Ų | 108 | 55 Ų | 55 | 70% | 0.701 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | 137.9 | -177.4 | 25.2 | -32.7 | 0 | 0 | 0 | 111.4 | T1052 V1056 | T1052-P1054 WeakPolarHBondContact O-CD 3.37Å; P1054-V1056 VanDerWaalsContact C-N 3.28Å; P1054-V1056 PolarHBondContact O-N 3.48Å |
| 1055 | N | 61.7 | Low | 71.4 | Confident | 118 Ų | 118 | 53.8 Ų | 53.8 | 63% | 0.631 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.1 | 16.7 | 174.8 | -58.7 | -22.6 | 0 | 0 | 0 | 116.9 | V1057 | N1055-V1057 PolarHBondContact O-N 2.9Š|
| 1056 | V | 62.8 | Low | 71.7 | Confident | 44 Ų | 44 | 54.2 Ų | 54.2 | 27% | 0.267 | 30% | 0.301 | S | S | . | . | P | Polyproline II helix | trans | -82.5 | 117.6 | 175.6 | -176.3 | 0 | 0 | 0 | 0 | 110.2 | I1053 P1054 L1068 | I1053-V1056 HydrophobicContact CB-CB 4.4Å; I1053-V1056 HydrophobicContact CB-CG2 3.6Å; I1053-V1056 HydrophobicContact CD1-CG2 4.48Å; I1053-V1056 HydrophobicContact CG2-CG2 3.31Å; P1054-V1056 VanDerWaalsContact C-N 3.28Å; P1054-V1056 PolarHBondContact O-N 3.48Å; V1056-L1068 HydrophobicContact CB-CD2 4.17Å; V1056-L1068 HydrophobicContact CG1-CD1 4.15Å; V1056-L1068 HydrophobicContact CG1-CD2 3.67Å; V1056-L1068 HydrophobicContact CG1-CG 4.13Å |
| 1057 | V | 65.6 | Low | 71.7 | Confident | 87 Ų | 87 | 59.5 Ų | 59.5 | 53% | 0.527 | 33% | 0.325 | S | S | . | . | P | Polyproline II helix | trans | -90.2 | 139.5 | 168 | -177.7 | 0 | 0 | 0 | 0 | 107.7 | N1055 T1059 | N1055-V1057 PolarHBondContact O-N 2.9Å; V1057-T1059 PolarHBondContact O-N 3.02Å; V1057-T1059 VanDerWaalsContact O-N 3.13Å |
| 1058 | Y | 64.1 | Low | 71.8 | Confident | 28 Ų | 28 | 59 Ų | 59 | 11% | 0.11 | 32% | 0.323 | C | S | . | . | P | Polyproline II helix | trans | -58.3 | 118.3 | 171.8 | -178.9 | -92.8 | 0 | 0 | 0 | 109.7 | I1043 C1044 I1065 | I1043-Y1058 HydrophobicContact CG2-CD2 3.92Å; I1043-Y1058 HydrophobicContact CG2-CE1 4.01Å; I1043-Y1058 HydrophobicContact CG2-CE2 3.3Å; C1044-Y1058 HydrophobicContact CB-CG 4.49Å; C1044-Y1058 VanDerWaalsContact SG-CD1 3.57Å; Y1058-I1065 HydrophobicContact CE2-CD1 4.2Å; Y1058-I1065 HydrophobicContact CE2-CG1 3.97Å |
| 1059 | T | 68.5 | Low | 72 | Confident | 51 Ų | 51 | 58.8 Ų | 58.8 | 31% | 0.313 | 32% | 0.321 | S | S | . | . | trans | -116.7 | 151.9 | 169 | 62.5 | 0 | 0 | 0 | 0 | 108.9 | V1057 D1061 T1064 | V1057-T1059 PolarHBondContact O-N 3.02Å; V1057-T1059 VanDerWaalsContact O-N 3.13Å; T1059-D1061 PolarHBondContact O-N 3.38Å; T1059-D1061 PolarHBondContact OG1-OD2 2.88Å; T1059-T1064 PolarHBondContact O-OG1 3.3Å; T1059-T1064 PolarHBondContact OG1-OG1 3.32Å | ||
| 1060 | D | 65.6 | Low | 72.2 | Confident | 101 Ų | 101 | 58.4 Ų | 58.4 | 54% | 0.54 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -69.6 | 12.3 | 173.9 | -76 | -37.6 | 0 | 0 | 0 | 112.4 | V1062 R1141 | D1060-V1062 PolarHBondContact O-N 3.22Å; D1060-R1141 IonicContact OD1-CZ 2.94Å; D1060-R1141 IonicContact OD1-NE 3.34Å; D1060-R1141 PolarHBondContact OD1-NE 3.37Å; D1060-R1141 IonicContact OD1-NH2 3.97Å; D1060-R1141 PolarHBondContact OD1-NH2 3.49Å; D1060-R1141 IonicContact OD2-NH2 2.74Å; D1060-R1141 PolarHBondContact OD2-NH2 3.46Å |
| 1061 | D | 74.8 | Confident | 72.4 | Confident | 101 Ų | 101 | 61.6 Ų | 61.6 | 54% | 0.54 | 34% | 0.336 | S | S | . | . | trans | -74.9 | 124.9 | 176.6 | -68.5 | -43.5 | 0 | 0 | 0 | 110.9 | T1059 Q1063 T1064 I1065 | T1059-D1061 PolarHBondContact O-N 3.38Å; T1059-D1061 PolarHBondContact OG1-OD2 2.88Å; D1061-Q1063 PolarHBondContact O-N 3.29Å; D1061-Q1063 VanDerWaalsContact O-N 3.14Å; D1061-T1064 HydrophobicContact CB-CG2 4.05Å; D1061-T1064 PolarHBondContact O-N 3.44Å; D1061-T1064 VanDerWaalsContact O-N 3.13Å; D1061-T1064 PolarHBondContact O-OG1 3.19Å; D1061-I1065 WeakPolarHBondContact O-CG1 3.43Å; D1061-I1065 PolarHBondContact O-N 3.49Å | ||
| 1062 | V | 74.7 | Confident | 72.7 | Confident | 93 Ų | 93 | 61.7 Ų | 61.7 | 56% | 0.564 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -53.6 | -39.3 | -178.2 | 164.7 | 0 | 0 | 0 | 0 | 113 | D1060 H1066 F1144 | D1060-V1062 PolarHBondContact O-N 3.22Å; V1062-H1066 WeakPolarHBondContact O-CB 3.24Å; V1062-H1066 PolarHBondContact O-N 3.44Å; V1062-H1066 VanDerWaalsContact O-N 3.13Å; V1062-F1144 HydrophobicContact CB-CZ 4.32Å; V1062-F1144 HydrophobicContact CG1-CZ 3.84Å; V1062-F1144 HydrophobicContact CG2-CE1 4.47Å; V1062-F1144 HydrophobicContact CG2-CZ 4.05Å |
| 1063 | Q | 75.7 | Confident | 73 | Confident | 156 Ų | 156 | 58.3 Ų | 58.3 | 73% | 0.729 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -72.6 | -35.6 | -178 | -68.3 | -175.3 | -10.3 | 0 | 0 | 113.1 | D1061 H1066 Q1067 | D1061-Q1063 PolarHBondContact O-N 3.29Å; D1061-Q1063 VanDerWaalsContact O-N 3.14Å; Q1063-H1066 PolarHBondContact O-N 3.19Å; Q1063-Q1067 WeakPolarHBondContact O-CG 3.18Å; Q1063-Q1067 PolarHBondContact O-N 3.23Å; Q1063-Q1067 VanDerWaalsContact O-N 3.09Å |
| 1064 | T | 74.7 | Confident | 73.3 | Confident | 36 Ų | 36 | 59.9 Ų | 59.9 | 22% | 0.221 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -71.7 | -43.1 | 179.9 | 60.2 | 0 | 0 | 0 | 0 | 110 | T1059 D1061 H1066 Q1067 L1068 | T1059-T1064 PolarHBondContact O-OG1 3.3Å; T1059-T1064 PolarHBondContact OG1-OG1 3.32Å; D1061-T1064 HydrophobicContact CB-CG2 4.05Å; D1061-T1064 PolarHBondContact O-N 3.44Å; D1061-T1064 VanDerWaalsContact O-N 3.13Å; D1061-T1064 PolarHBondContact O-OG1 3.19Å; T1064-H1066 VanDerWaalsContact C-N 3.29Å; T1064-H1066 PolarHBondContact O-N 3.04Å; T1064-Q1067 PolarHBondContact O-N 3.14Å; T1064-L1068 WeakPolarHBondContact O-CB 3.13Å; T1064-L1068 VanDerWaalsContact O-CG 3.24Å; T1064-L1068 WeakPolarHBondContact O-CG 3.41Å; T1064-L1068 PolarHBondContact O-N 3.22Å |
| 1065 | I | 77 | Confident | 74 | Confident | 8 Ų | 8 | 58.7 Ų | 58.7 | 4% | 0.041 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -59.4 | -42.7 | 175 | -59.9 | 173.1 | 0 | 0 | 0 | 110.6 | Y1058 D1061 L1068 I1069 F1144 I1148 | Y1058-I1065 HydrophobicContact CE2-CD1 4.2Å; Y1058-I1065 HydrophobicContact CE2-CG1 3.97Å; D1061-I1065 WeakPolarHBondContact O-CG1 3.43Å; D1061-I1065 PolarHBondContact O-N 3.49Å; I1065-L1068 PolarHBondContact O-N 3.41Å; I1065-I1069 HydrophobicContact CG2-CD1 3.73Å; I1065-I1069 WeakPolarHBondContact O-CG1 3.27Å; I1065-I1069 PolarHBondContact O-N 3.27Å; I1065-I1069 VanDerWaalsContact O-N 3.09Å; I1065-F1144 HydrophobicContact CB-CE1 4.42Å; I1065-F1144 HydrophobicContact CD1-CE1 4.34Å; I1065-F1144 HydrophobicContact CG2-CD1 4.37Å; I1065-F1144 HydrophobicContact CG2-CE1 4.2Å; I1065-I1148 HydrophobicContact CB-CD1 4.31Å; I1065-I1148 HydrophobicContact CG2-CD1 3.61Å |
| 1066 | H | 79.6 | Confident | 74.7 | Confident | 46 Ų | 46 | 54.8 Ų | 54.8 | 21% | 0.213 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -59.2 | -50.9 | 176.5 | -174.8 | -87.8 | 0 | 0 | 0 | 111.9 | V1062 Q1063 T1064 L1068 M1070 I1148 H1151 | V1062-H1066 WeakPolarHBondContact O-CB 3.24Å; V1062-H1066 PolarHBondContact O-N 3.44Å; V1062-H1066 VanDerWaalsContact O-N 3.13Å; Q1063-H1066 PolarHBondContact O-N 3.19Å; T1064-H1066 VanDerWaalsContact C-N 3.29Å; T1064-H1066 PolarHBondContact O-N 3.04Å; H1066-L1068 VanDerWaalsContact C-N 3.33Å; H1066-L1068 PolarHBondContact O-N 2.85Å; H1066-M1070 WeakPolarHBondContact O-CB 3.14Å; H1066-M1070 WeakPolarHBondContact O-CG 3.39Å; H1066-M1070 PolarHBondContact O-N 3.21Å; H1066-I1148 HydrophobicContact CB-CD1 4.46Å; H1066-H1151 AromaticContact CE1-ND1 3.86Å; H1066-H1151 AromaticContact NE2-CD2 3.52Å; H1066-H1151 AromaticContact NE2-CE1 3.6Å; H1066-H1151 AromaticContact NE2-CG 3.23Å; H1066-H1151 AromaticContact NE2-ND1 3.28Å; H1066-H1151 PolarHBondContact NE2-ND1 3.45Å; H1066-H1151 AromaticContact NE2-NE2 3.78Å |
| 1067 | Q | 80 | Confident | 75.5 | Confident | 111 Ų | 111 | 53.3 Ų | 53.3 | 52% | 0.519 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -62.2 | -40 | 178.6 | -72.2 | 177.9 | -5.6 | 0 | 0 | 112.7 | I1053 Q1063 T1064 N1071 | I1053-Q1067 HydrophobicContact CD1-CB 4.49Å; Q1063-Q1067 WeakPolarHBondContact O-CG 3.18Å; Q1063-Q1067 PolarHBondContact O-N 3.23Å; Q1063-Q1067 VanDerWaalsContact O-N 3.09Å; T1064-Q1067 PolarHBondContact O-N 3.14Å; Q1067-N1071 WeakPolarHBondContact O-CB 3.25Å; Q1067-N1071 PolarHBondContact O-N 3.07Å; Q1067-N1071 VanDerWaalsContact O-N 3.09Å |
| 1068 | L | 79.2 | Confident | 76.1 | Confident | 1 Ų | 1 | 56.7 Ų | 56.7 | 1% | 0.005 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -61.3 | -51.4 | 179.9 | -76 | 175.4 | 0 | 0 | 0 | 111.8 | L1047 P1048 S1051 I1053 V1056 T1064 I1065 H1066 M1070 A1072 | L1047-L1068 HydrophobicContact CD2-CB 3.57Å; L1047-L1068 HydrophobicContact CD2-CD1 3.87Å; L1047-L1068 HydrophobicContact CD2-CG 4.3Å; P1048-L1068 HydrophobicContact CB-CD2 4.49Å; P1048-L1068 HydrophobicContact CG-CD1 4.39Å; S1051-L1068 VanDerWaalsContact CB-O 3.24Å; S1051-L1068 WeakPolarHBondContact CB-O 2.99Å; S1051-L1068 WeakPolarHBondContact OG-CD2 3.47Å; I1053-L1068 HydrophobicContact CD1-CD2 4.12Å; V1056-L1068 HydrophobicContact CB-CD2 4.17Å; V1056-L1068 HydrophobicContact CG1-CD1 4.15Å; V1056-L1068 HydrophobicContact CG1-CD2 3.67Å; V1056-L1068 HydrophobicContact CG1-CG 4.13Å; T1064-L1068 WeakPolarHBondContact O-CB 3.13Å; T1064-L1068 VanDerWaalsContact O-CG 3.24Å; T1064-L1068 WeakPolarHBondContact O-CG 3.41Å; T1064-L1068 PolarHBondContact O-N 3.22Å; I1065-L1068 PolarHBondContact O-N 3.41Å; H1066-L1068 VanDerWaalsContact C-N 3.33Å; H1066-L1068 PolarHBondContact O-N 2.85Å; L1068-M1070 PolarHBondContact O-N 2.88Å; L1068-A1072 WeakPolarHBondContact O-CB 3.18Å; L1068-A1072 PolarHBondContact O-N 3.28Å |
| 1069 | I | 80.5 | Confident | 76.7 | Confident | 3 Ų | 3 | 57.1 Ų | 57.1 | 2% | 0.015 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -64.7 | -43.3 | -177.3 | -68.4 | 165.4 | 0 | 0 | 0 | 111.1 | L1047 I1065 A1072 C1073 I1145 I1148 V1149 | L1047-I1069 HydrophobicContact CD1-CG1 3.87Å; L1047-I1069 HydrophobicContact CD2-CG1 4.38Å; L1047-I1069 HydrophobicContact CG-CG1 4.41Å; I1065-I1069 HydrophobicContact CG2-CD1 3.73Å; I1065-I1069 WeakPolarHBondContact O-CG1 3.27Å; I1065-I1069 PolarHBondContact O-N 3.27Å; I1065-I1069 VanDerWaalsContact O-N 3.09Å; I1069-A1072 PolarHBondContact O-N 2.89Å; I1069-C1073 WeakPolarHBondContact O-CB 3.38Å; I1069-C1073 PolarHBondContact O-N 2.8Å; I1069-C1073 PolarHBondContact O-SG 2.96Å; I1069-C1073 VanDerWaalsContact O-SG 3.36Å; I1069-I1145 HydrophobicContact CD1-CB 4.09Å; I1069-I1145 HydrophobicContact CD1-CG1 4.11Å; I1069-I1145 HydrophobicContact CD1-CG2 3.77Å; I1069-I1145 HydrophobicContact CG1-CG2 4.47Å; I1069-I1148 HydrophobicContact CB-CG2 3.83Å; I1069-I1148 HydrophobicContact CD1-CB 3.85Å; I1069-I1148 HydrophobicContact CD1-CD1 3.76Å; I1069-I1148 HydrophobicContact CD1-CG1 4.4Å; I1069-I1148 HydrophobicContact CD1-CG2 3.82Å; I1069-I1148 HydrophobicContact CG1-CG2 4.43Å; I1069-I1148 HydrophobicContact CG2-CG2 3.85Å; I1069-V1149 HydrophobicContact CG2-CG2 3.56Å |
| 1070 | M | 80 | Confident | 77.3 | Confident | 15 Ų | 15 | 55.1 Ų | 55.1 | 7% | 0.074 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -65.6 | -47.4 | -176.6 | -63.7 | -68 | -80.5 | 0 | 0 | 111.1 | H1066 L1068 A1072 C1073 V1074 I1148 D1153 Q1154 | H1066-M1070 WeakPolarHBondContact O-CB 3.14Å; H1066-M1070 WeakPolarHBondContact O-CG 3.39Å; H1066-M1070 PolarHBondContact O-N 3.21Å; L1068-M1070 PolarHBondContact O-N 2.88Å; M1070-A1072 VanDerWaalsContact C-N 3.28Å; M1070-A1072 PolarHBondContact O-N 3.4Å; M1070-C1073 PolarHBondContact O-N 3.04Å; M1070-V1074 VanDerWaalsContact O-CG2 3.3Å; M1070-V1074 WeakPolarHBondContact O-CG2 3.4Å; M1070-V1074 PolarHBondContact O-N 2.87Å; M1070-V1074 VanDerWaalsContact O-N 3.11Å; M1070-I1148 HydrophobicContact CG-CG2 4.42Å; M1070-D1153 HydrophobicContact CE-CB 3.44Å; M1070-D1153 VanDerWaalsContact CE-CB 3.44Å; M1070-D1153 VanDerWaalsContact CE-O 3.29Å; M1070-D1153 WeakPolarHBondContact CE-O 3.35Å; M1070-Q1154 VanDerWaalsContact CE-CA 3.47Å; M1070-Q1154 HydrophobicContact CE-CB 4.05Å; M1070-Q1154 HydrophobicContact SD-CB 4.17Å |
| 1071 | N | 79.1 | Confident | 78.1 | Confident | 68 Ų | 68 | 52.3 Ų | 52.3 | 36% | 0.364 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -64.9 | -36.6 | 176.2 | -72.1 | -10.8 | 0 | 0 | 0 | 111.8 | I1053 Q1067 V1074 N1075 | I1053-N1071 HydrophobicContact CD1-CB 4.35Å; I1053-N1071 WeakPolarHBondContact CD1-ND2 3.42Å; I1053-N1071 HydrophobicContact CG1-CB 4.35Å; I1053-N1071 WeakPolarHBondContact CG1-ND2 2.85Å; Q1067-N1071 WeakPolarHBondContact O-CB 3.25Å; Q1067-N1071 PolarHBondContact O-N 3.07Å; Q1067-N1071 VanDerWaalsContact O-N 3.09Å; N1071-V1074 PolarHBondContact O-N 2.67Å; N1071-N1075 WeakPolarHBondContact O-CB 3.48Å; N1071-N1075 PolarHBondContact O-N 3.25Å; N1071-N1075 PolarHBondContact O-ND2 2.86Å |
| 1072 | A | 79.9 | Confident | 78.4 | Confident | 2 Ų | 2 | 50.3 Ų | 50.3 | 2% | 0.017 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -62.9 | -48.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110 | L1050 L1068 I1069 M1070 V1074 N1075 N1076 I1080 | L1050-A1072 HydrophobicContact CB-CB 3.97Å; L1050-A1072 WeakPolarHBondContact O-CA 3.49Å; L1068-A1072 WeakPolarHBondContact O-CB 3.18Å; L1068-A1072 PolarHBondContact O-N 3.28Å; I1069-A1072 PolarHBondContact O-N 2.89Å; M1070-A1072 VanDerWaalsContact C-N 3.28Å; M1070-A1072 PolarHBondContact O-N 3.4Å; A1072-V1074 VanDerWaalsContact C-N 3.27Å; A1072-V1074 PolarHBondContact O-N 3.01Å; A1072-N1075 PolarHBondContact O-N 3.37Å; A1072-N1076 CarbonylContact O-C 3.57Å; A1072-N1076 PolarHBondContact O-N 2.88Å; A1072-I1080 HydrophobicContact CB-CD1 3.2Å; A1072-I1080 HydrophobicContact CB-CG1 4.29Å; A1072-I1080 WeakPolarHBondContact O-CD1 3.43Å |
| 1073 | C | 77.8 | Confident | 78.8 | Confident | 1 Ų | 1 | 46.1 Ų | 46.1 | 1% | 0.007 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -63.2 | -31.5 | -179.1 | -75.2 | 0 | 0 | 0 | 0 | 113.7 | I1069 M1070 Q1154 N1156 | I1069-C1073 WeakPolarHBondContact O-CB 3.38Å; I1069-C1073 PolarHBondContact O-N 2.8Å; I1069-C1073 PolarHBondContact O-SG 2.96Å; I1069-C1073 VanDerWaalsContact O-SG 3.36Å; M1070-C1073 PolarHBondContact O-N 3.04Å; C1073-Q1154 PolarHBondContact SG-NE2 3.12Å; C1073-N1156 PolarHBondContact O-ND2 3.4Å |
| 1074 | V | 76.4 | Confident | 79.2 | Confident | 79 Ų | 79 | 38.9 Ų | 38.9 | 48% | 0.479 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -73.1 | -45.9 | 176 | 173.3 | 0 | 0 | 0 | 0 | 111 | M1070 N1071 A1072 V1155 | M1070-V1074 VanDerWaalsContact O-CG2 3.3Å; M1070-V1074 WeakPolarHBondContact O-CG2 3.4Å; M1070-V1074 PolarHBondContact O-N 2.87Å; M1070-V1074 VanDerWaalsContact O-N 3.11Å; N1071-V1074 PolarHBondContact O-N 2.67Å; A1072-V1074 VanDerWaalsContact C-N 3.27Å; A1072-V1074 PolarHBondContact O-N 3.01Å; V1074-V1155 HydrophobicContact CG2-CB 4.3Å; V1074-V1155 HydrophobicContact CG2-CG2 4.31Å |
| 1075 | N | 76.8 | Confident | 79.7 | Confident | 84 Ų | 84 | 40.3 Ų | 40.3 | 45% | 0.449 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -86.1 | -34.9 | -171.6 | -64.8 | -17.7 | 0 | 0 | 0 | 113.3 | T1052 N1071 A1072 | T1052-N1075 HydrophobicContact CG2-CB 4.43Å; T1052-N1075 PolarHBondContact OG1-ND2 3.45Å; N1071-N1075 WeakPolarHBondContact O-CB 3.48Å; N1071-N1075 PolarHBondContact O-N 3.25Å; N1071-N1075 PolarHBondContact O-ND2 2.86Å; A1072-N1075 PolarHBondContact O-N 3.37Å |
| 1076 | N | 76.7 | Confident | 79.9 | Confident | 35 Ų | 35 | 40 Ų | 40 | 19% | 0.187 | 20% | 0.204 | C | C | . | . | trans | -137 | 52.3 | -170.2 | -70.4 | -57.8 | 0 | 0 | 0 | 112.6 | M1012 L1050 A1072 Q1078 L1079 I1080 | M1012-N1076 PolarHBondContact SD-ND2 3.2Å; L1050-N1076 HydrophobicContact CD2-CB 3.99Å; L1050-N1076 PolarHBondContact O-ND2 2.8Å; A1072-N1076 CarbonylContact O-C 3.57Å; A1072-N1076 PolarHBondContact O-N 2.88Å; N1076-Q1078 PolarHBondContact O-N 2.87Å; N1076-L1079 HydrophobicContact CB-CB 4.45Å; N1076-L1079 HydrophobicContact CB-CD1 4.46Å; N1076-L1079 PolarHBondContact O-N 3.4Å; N1076-I1080 PolarHBondContact O-N 3.05Å; N1076-I1080 VanDerWaalsContact O-N 3.16Å | ||
| 1077 | G | 78.4 | Confident | 80 | Confident | 14 Ų | 14 | 37.9 Ų | 37.9 | 14% | 0.144 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -53.2 | -43.8 | -174.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | Q1081 N1156 | G1077-Q1081 WeakPolarHBondContact O-CG 3.26Å; G1077-Q1081 PolarHBondContact O-N 2.67Å; G1077-Q1081 VanDerWaalsContact O-N 3.08Å; G1077-N1156 WeakPolarHBondContact CA-ND2 3.45Å |
| 1078 | Q | 78.3 | Confident | 80.1 | Confident | 158 Ų | 158 | 32.8 Ų | 32.8 | 74% | 0.738 | 17% | 0.17 | S | C | * | . | H | α-helix | trans | -69 | -44.4 | -178.3 | -71.1 | -179.6 | -13.5 | 0 | 0 | 112.8 | N1076 I1080 Q1081 Q1082 | N1076-Q1078 PolarHBondContact O-N 2.87Å; Q1078-I1080 PolarHBondContact O-N 2.88Å; Q1078-Q1081 WeakPolarHBondContact O-CB 3.2Å; Q1078-Q1081 PolarHBondContact O-N 3.45Å; Q1078-Q1082 PolarHBondContact O-N 3.49Å |
| 1079 | L | 76.5 | Confident | 80.1 | Confident | 37 Ų | 37 | 34.1 Ų | 34.1 | 19% | 0.194 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -64 | -33.8 | 178.8 | -69.1 | 176.6 | 0 | 0 | 0 | 111.7 | L1050 N1076 Q1082 L1083 | L1050-L1079 HydrophobicContact CD2-CB 3.81Å; L1050-L1079 HydrophobicContact CD2-CD1 3.82Å; L1050-L1079 HydrophobicContact CD2-CG 4.48Å; N1076-L1079 HydrophobicContact CB-CB 4.45Å; N1076-L1079 HydrophobicContact CB-CD1 4.46Å; N1076-L1079 PolarHBondContact O-N 3.4Å; L1079-Q1082 PolarHBondContact O-N 3.39Å; L1079-L1083 WeakPolarHBondContact O-CB 3.38Å; L1079-L1083 PolarHBondContact O-N 2.9Å |
| 1080 | I | 81.9 | Confident | 79.9 | Confident | 8 Ų | 8 | 34 Ų | 34 | 4% | 0.041 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -72.1 | -36.7 | 175.6 | -73.7 | 167.4 | 0 | 0 | 0 | 112 | L1050 A1072 N1076 Q1078 Q1082 L1083 F1084 | L1050-I1080 HydrophobicContact CB-CD1 4.48Å; L1050-I1080 HydrophobicContact CB-CG1 4.41Å; L1050-I1080 HydrophobicContact CD1-CG1 3.86Å; A1072-I1080 HydrophobicContact CB-CD1 3.2Å; A1072-I1080 HydrophobicContact CB-CG1 4.29Å; A1072-I1080 WeakPolarHBondContact O-CD1 3.43Å; N1076-I1080 PolarHBondContact O-N 3.05Å; N1076-I1080 VanDerWaalsContact O-N 3.16Å; Q1078-I1080 PolarHBondContact O-N 2.88Å; I1080-Q1082 VanDerWaalsContact C-N 3.33Å; I1080-L1083 PolarHBondContact O-N 3.32Å; I1080-F1084 HydrophobicContact CG2-CD2 3.51Å; I1080-F1084 HydrophobicContact CG2-CE2 3.12Å; I1080-F1084 HydrophobicContact CG2-CG 4.38Å; I1080-F1084 HydrophobicContact CG2-CZ 3.71Å; I1080-F1084 WeakPolarHBondContact O-CB 3.43Å; I1080-F1084 VanDerWaalsContact O-CD2 3.31Å; I1080-F1084 WeakPolarHBondContact O-CD2 3.34Å; I1080-F1084 WeakPolarHBondContact O-CG 3.24Å; I1080-F1084 PolarHBondContact O-N 3.39Å |
| 1081 | Q | 83 | Confident | 79.8 | Confident | 43 Ų | 43 | 33.4 Ų | 33.4 | 20% | 0.201 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -61.1 | -43.1 | 171.1 | -75.8 | 173.7 | -26.4 | 0 | 0 | 111.4 | G1077 Q1078 F1084 E1085 S1158 F1162 | G1077-Q1081 WeakPolarHBondContact O-CG 3.26Å; G1077-Q1081 PolarHBondContact O-N 2.67Å; G1077-Q1081 VanDerWaalsContact O-N 3.08Å; Q1078-Q1081 WeakPolarHBondContact O-CB 3.2Å; Q1078-Q1081 PolarHBondContact O-N 3.45Å; Q1081-F1084 PolarHBondContact O-N 3.42Å; Q1081-E1085 WeakPolarHBondContact O-CB 3.4Å; Q1081-E1085 PolarHBondContact O-N 2.98Å; Q1081-S1158 VanDerWaalsContact NE2-CB 3.29Å; Q1081-S1158 PolarHBondContact NE2-O 3.31Å; Q1081-S1158 PolarHBondContact NE2-OG 3.2Å; Q1081-F1162 HydrophobicContact CG-CB 4.42Å; Q1081-F1162 HydrophobicContact CG-CG 4.35Å; Q1081-F1162 WeakPolarHBondContact O-CE1 3.42Å |
| 1082 | Q | 79.9 | Confident | 79.8 | Confident | 59 Ų | 59 | 31.5 Ų | 31.5 | 28% | 0.276 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -62.7 | -41.3 | 173.5 | -70.3 | -178 | -22.2 | 0 | 0 | 112.2 | I1019 Q1078 L1079 I1080 E1085 L1086 | I1019-Q1082 HydrophobicContact CG2-CB 4.05Å; Q1078-Q1082 PolarHBondContact O-N 3.49Å; L1079-Q1082 PolarHBondContact O-N 3.39Å; I1080-Q1082 VanDerWaalsContact C-N 3.33Å; Q1082-E1085 WeakPolarHBondContact O-CB 3.02Å; Q1082-E1085 PolarHBondContact O-N 3.03Å; Q1082-L1086 PolarHBondContact O-N 3.49Å |
| 1083 | L | 83.3 | Confident | 79.6 | Confident | 5 Ų | 5 | 34.6 Ų | 34.6 | 3% | 0.026 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -64.5 | -42.6 | 176.6 | -174.7 | 145.1 | 0 | 0 | 0 | 111.5 | I1019 C1042 F1046 L1050 L1079 I1080 E1085 L1086 I1087 | I1019-L1083 HydrophobicContact CD1-CB 3.86Å; I1019-L1083 HydrophobicContact CD1-CD1 4.39Å; I1019-L1083 HydrophobicContact CD1-CG 4.44Å; C1042-L1083 HydrophobicContact CB-CD1 4.44Å; F1046-L1083 HydrophobicContact CB-CD1 3.64Å; F1046-L1083 HydrophobicContact CD2-CD1 4.03Å; F1046-L1083 HydrophobicContact CG-CD1 4.36Å; L1050-L1083 HydrophobicContact CD1-CD1 3.94Å; L1079-L1083 WeakPolarHBondContact O-CB 3.38Å; L1079-L1083 PolarHBondContact O-N 2.9Å; I1080-L1083 PolarHBondContact O-N 3.32Å; L1083-E1085 VanDerWaalsContact C-N 3.34Å; L1083-L1086 WeakPolarHBondContact O-CB 3.48Å; L1083-L1086 PolarHBondContact O-N 2.86Å; L1083-I1087 HydrophobicContact CD2-CD1 3.58Å; L1083-I1087 HydrophobicContact CD2-CG1 4.4Å; L1083-I1087 WeakPolarHBondContact O-CG1 3.46Å; L1083-I1087 PolarHBondContact O-N 2.94Å |
| 1084 | F | 84 | Confident | 79.6 | Confident | 4 Ų | 4 | 35.5 Ų | 35.5 | 2% | 0.018 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -66.2 | -37.9 | 173.3 | -69.2 | -35.1 | 0 | 0 | 0 | 111.4 | I1080 Q1081 L1086 I1087 F1088 I1145 F1146 V1149 F1162 I1163 | I1080-F1084 HydrophobicContact CG2-CD2 3.51Å; I1080-F1084 HydrophobicContact CG2-CE2 3.12Å; I1080-F1084 HydrophobicContact CG2-CG 4.38Å; I1080-F1084 HydrophobicContact CG2-CZ 3.71Å; I1080-F1084 WeakPolarHBondContact O-CB 3.43Å; I1080-F1084 VanDerWaalsContact O-CD2 3.31Å; I1080-F1084 WeakPolarHBondContact O-CD2 3.34Å; I1080-F1084 WeakPolarHBondContact O-CG 3.24Å; I1080-F1084 PolarHBondContact O-N 3.39Å; Q1081-F1084 PolarHBondContact O-N 3.42Å; F1084-L1086 VanDerWaalsContact C-N 3.28Å; F1084-L1086 PolarHBondContact O-N 2.94Å; F1084-I1087 HydrophobicContact CD1-CD1 4.31Å; F1084-I1087 PolarHBondContact O-N 3.05Å; F1084-I1087 VanDerWaalsContact O-N 3.16Å; F1084-F1088 HydrophobicContact CB-CD2 4.24Å; F1084-F1088 HydrophobicContact CB-CE2 4.32Å; F1084-F1088 WeakPolarHBondContact O-CB 3.43Å; F1084-F1088 WeakPolarHBondContact O-CD2 3.21Å; F1084-F1088 PolarHBondContact O-N 3.11Å; F1084-I1145 HydrophobicContact CE1-CG2 3.8Å; F1084-I1145 HydrophobicContact CZ-CG2 4.28Å; F1084-F1146 HydrophobicContact CD1-CD1 4.26Å; F1084-F1146 AromaticContact CD1-CE1 3.75Å; F1084-F1146 HydrophobicContact CD1-CE1 3.75Å; F1084-F1146 HydrophobicContact CE1-CD1 4.28Å; F1084-F1146 HydrophobicContact CE1-CE1 4.16Å; F1084-F1146 HydrophobicContact CG-CE1 4.39Å; F1084-V1149 HydrophobicContact CE2-CG2 3.76Å; F1084-V1149 HydrophobicContact CZ-CG2 3.63Å; F1084-F1162 HydrophobicContact CB-CD1 4.25Å; F1084-F1162 HydrophobicContact CB-CE1 3.81Å; F1084-I1163 HydrophobicContact CD2-CD1 4.02Å; F1084-I1163 HydrophobicContact CD2-CG1 4.22Å; F1084-I1163 HydrophobicContact CE2-CD1 3.87Å; F1084-I1163 HydrophobicContact CZ-CD1 4.39Å |
| 1085 | E | 84.9 | Confident | 79.6 | Confident | 66 Ų | 66 | 32.6 Ų | 32.6 | 31% | 0.308 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -56.6 | -44.6 | 172.6 | -172.9 | 146.1 | -133.8 | 0 | 0 | 111.4 | L1023 Q1081 Q1082 L1083 F1088 T1089 F1162 K1166 | L1023-E1085 HydrophobicContact CD2-CG 4.02Å; Q1081-E1085 WeakPolarHBondContact O-CB 3.4Å; Q1081-E1085 PolarHBondContact O-N 2.98Å; Q1082-E1085 WeakPolarHBondContact O-CB 3.02Å; Q1082-E1085 PolarHBondContact O-N 3.03Å; L1083-E1085 VanDerWaalsContact C-N 3.34Å; E1085-F1088 PolarHBondContact O-N 3.29Å; E1085-T1089 HydrophobicContact CG-CG2 4.23Å; E1085-T1089 WeakPolarHBondContact O-CB 3.25Å; E1085-T1089 VanDerWaalsContact O-CG2 3.22Å; E1085-T1089 WeakPolarHBondContact O-CG2 3.3Å; E1085-T1089 PolarHBondContact O-N 2.75Å; E1085-T1089 PolarHBondContact O-OG1 3Å; E1085-F1162 HydrophobicContact CB-CE1 4.45Å; E1085-F1162 HydrophobicContact CB-CZ 3.76Å; E1085-F1162 HydrophobicContact CG-CZ 4.36Å; E1085-K1166 IonicContact OE1-NZ 2.7Å; E1085-K1166 PolarHBondContact OE1-NZ 3.18Å |
| 1086 | L | 80.8 | Confident | 79.5 | Confident | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -60.2 | -48.8 | 174.3 | 178.4 | 65.6 | 0 | 0 | 0 | 111.5 | I1019 L1022 L1023 T1026 Q1082 L1083 F1084 F1088 T1089 I1090 | I1019-L1086 HydrophobicContact CG1-CD2 4.31Å; I1019-L1086 HydrophobicContact CG2-CB 4.08Å; I1019-L1086 HydrophobicContact CG2-CD2 4.32Å; L1022-L1086 HydrophobicContact CB-CD1 3.66Å; L1022-L1086 HydrophobicContact CB-CD2 3.89Å; L1022-L1086 HydrophobicContact CB-CG 4.45Å; L1022-L1086 HydrophobicContact CD1-CD2 3.87Å; L1023-L1086 HydrophobicContact CB-CD1 4.45Å; L1023-L1086 VanDerWaalsContact CD2-CA 3.5Å; L1023-L1086 HydrophobicContact CD2-CB 4Å; L1023-L1086 HydrophobicContact CD2-CD1 4.01Å; L1023-L1086 HydrophobicContact CG-CB 4.1Å; L1023-L1086 HydrophobicContact CG-CD1 3.91Å; T1026-L1086 HydrophobicContact CG2-CD1 3.83Å; Q1082-L1086 PolarHBondContact O-N 3.49Å; L1083-L1086 WeakPolarHBondContact O-CB 3.48Å; L1083-L1086 PolarHBondContact O-N 2.86Å; F1084-L1086 VanDerWaalsContact C-N 3.28Å; F1084-L1086 PolarHBondContact O-N 2.94Å; L1086-F1088 VanDerWaalsContact C-N 3.34Å; L1086-F1088 PolarHBondContact O-N 3.47Å; L1086-T1089 WeakPolarHBondContact CA-OG1 3.28Å; L1086-T1089 PolarHBondContact O-N 3.41Å; L1086-T1089 PolarHBondContact O-OG1 3.31Å; L1086-I1090 HydrophobicContact CD1-CD1 3.88Å; L1086-I1090 HydrophobicContact CD1-CG1 4.12Å; L1086-I1090 HydrophobicContact CG-CD1 3.78Å; L1086-I1090 HydrophobicContact CG-CG1 4.41Å; L1086-I1090 WeakPolarHBondContact O-CB 3.39Å; L1086-I1090 WeakPolarHBondContact O-CD1 3.49Å; L1086-I1090 WeakPolarHBondContact O-CG1 3.41Å; L1086-I1090 PolarHBondContact O-N 2.93Å |
| 1087 | I | 82.9 | Confident | 79.4 | Confident | 2 Ų | 2 | 32.8 Ų | 32.8 | 1% | 0.01 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -60.4 | -44.8 | 178.7 | -69.3 | 174.4 | 0 | 0 | 0 | 111.2 | F1039 L1083 F1084 I1090 F1091 L1142 F1146 | F1039-I1087 HydrophobicContact CE1-CB 4.47Å; F1039-I1087 HydrophobicContact CE1-CG1 4.24Å; F1039-I1087 HydrophobicContact CE1-CG2 4.09Å; L1083-I1087 HydrophobicContact CD2-CD1 3.58Å; L1083-I1087 HydrophobicContact CD2-CG1 4.4Å; L1083-I1087 WeakPolarHBondContact O-CG1 3.46Å; L1083-I1087 PolarHBondContact O-N 2.94Å; F1084-I1087 HydrophobicContact CD1-CD1 4.31Å; F1084-I1087 PolarHBondContact O-N 3.05Å; F1084-I1087 VanDerWaalsContact O-N 3.16Å; I1087-I1090 PolarHBondContact O-N 2.92Å; I1087-F1091 WeakPolarHBondContact O-CB 3.18Å; I1087-F1091 PolarHBondContact O-N 3.08Å; I1087-L1142 HydrophobicContact CD1-CD2 4.11Å; I1087-L1142 HydrophobicContact CG2-CD1 4.31Å; I1087-L1142 HydrophobicContact CG2-CD2 3.64Å; I1087-F1146 HydrophobicContact CB-CZ 4.43Å; I1087-F1146 HydrophobicContact CG2-CE1 4.1Å; I1087-F1146 HydrophobicContact CG2-CE2 4.41Å; I1087-F1146 HydrophobicContact CG2-CZ 3.49Å; I1087-F1146 VanDerWaalsContact CG2-CZ 3.49Å |
| 1088 | F | 82 | Confident | 79.2 | Confident | 5 Ų | 5 | 32.1 Ų | 32.1 | 2% | 0.022 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -66.7 | -40.5 | 179.6 | -83.1 | -68.2 | 0 | 0 | 0 | 112.4 | F1084 E1085 L1086 F1091 S1092 F1146 F1162 I1163 K1166 L1167 L1170 | F1084-F1088 HydrophobicContact CB-CD2 4.24Å; F1084-F1088 HydrophobicContact CB-CE2 4.32Å; F1084-F1088 WeakPolarHBondContact O-CB 3.43Å; F1084-F1088 WeakPolarHBondContact O-CD2 3.21Å; F1084-F1088 PolarHBondContact O-N 3.11Å; E1085-F1088 PolarHBondContact O-N 3.29Å; L1086-F1088 VanDerWaalsContact C-N 3.34Å; L1086-F1088 PolarHBondContact O-N 3.47Å; F1088-F1091 PolarHBondContact O-N 3.21Å; F1088-S1092 WeakPolarHBondContact O-CB 3.12Å; F1088-S1092 PolarHBondContact O-N 2.87Å; F1088-F1146 HydrophobicContact CD1-CE2 4.37Å; F1088-F1146 HydrophobicContact CD1-CZ 4.27Å; F1088-F1146 HydrophobicContact CD2-CE1 4.4Å; F1088-F1146 HydrophobicContact CD2-CZ 4.06Å; F1088-F1146 HydrophobicContact CE1-CD2 4.33Å; F1088-F1146 AromaticContact CE1-CE2 3.66Å; F1088-F1146 HydrophobicContact CE1-CE2 3.66Å; F1088-F1146 AromaticContact CE1-CZ 3.82Å; F1088-F1146 HydrophobicContact CE1-CZ 3.82Å; F1088-F1146 HydrophobicContact CE2-CD1 4.34Å; F1088-F1146 AromaticContact CE2-CE1 3.7Å; F1088-F1146 HydrophobicContact CE2-CE1 3.7Å; F1088-F1146 HydrophobicContact CE2-CE2 4.16Å; F1088-F1146 AromaticContact CE2-CZ 3.57Å; F1088-F1146 HydrophobicContact CE2-CZ 3.57Å; F1088-F1146 HydrophobicContact CG-CZ 4.37Å; F1088-F1146 HydrophobicContact CZ-CD1 4.25Å; F1088-F1146 AromaticContact CZ-CD2 3.97Å; F1088-F1146 HydrophobicContact CZ-CD2 3.97Å; F1088-F1146 AromaticContact CZ-CE1 3.84Å; F1088-F1146 HydrophobicContact CZ-CE1 3.84Å; F1088-F1146 AromaticContact CZ-CE2 3.53Å; F1088-F1146 HydrophobicContact CZ-CE2 3.53Å; F1088-F1146 HydrophobicContact CZ-CG 4.3Å; F1088-F1146 AromaticContact CZ-CZ 3.43Å; F1088-F1146 HydrophobicContact CZ-CZ 3.43Å; F1088-F1146 VanDerWaalsContact CZ-CZ 3.43Å; F1088-F1162 HydrophobicContact CD2-CE1 4.27Å; F1088-I1163 HydrophobicContact CE2-CG1 4.21Å; F1088-I1163 HydrophobicContact CZ-CG2 4.23Å; F1088-K1166 HydrophobicContact CB-CB 4.41Å; F1088-K1166 HydrophobicContact CD1-CB 3.75Å; F1088-K1166 HydrophobicContact CD2-CB 3.72Å; F1088-K1166 HydrophobicContact CD2-CG 4.02Å; F1088-K1166 HydrophobicContact CE1-CB 3.88Å; F1088-K1166 HydrophobicContact CE2-CB 3.86Å; F1088-K1166 HydrophobicContact CE2-CG 4.44Å; F1088-K1166 HydrophobicContact CG-CB 3.71Å; F1088-K1166 HydrophobicContact CG-CG 4.2Å; F1088-K1166 HydrophobicContact CZ-CB 3.94Å; F1088-L1167 HydrophobicContact CE1-CD2 4.06Å; F1088-L1167 HydrophobicContact CE1-CG 4.15Å; F1088-L1167 HydrophobicContact CZ-CD2 4.49Å; F1088-L1167 HydrophobicContact CZ-CG 4.24Å; F1088-L1170 HydrophobicContact CD1-CD1 3.51Å; F1088-L1170 HydrophobicContact CD1-CG 4.17Å; F1088-L1170 HydrophobicContact CE1-CD1 3.78Å |
| 1089 | T | 78.5 | Confident | 79.1 | Confident | 28 Ų | 28 | 24.9 Ų | 24.9 | 17% | 0.172 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -68.8 | -39.8 | 176.7 | 51.6 | 0 | 0 | 0 | 0 | 111.6 | L1023 E1085 L1086 F1091 S1092 N1093 | L1023-T1089 HydrophobicContact CD2-CG2 4Å; L1023-T1089 VanDerWaalsContact CD2-OG1 3.27Å; L1023-T1089 WeakPolarHBondContact CD2-OG1 3.33Å; E1085-T1089 HydrophobicContact CG-CG2 4.23Å; E1085-T1089 WeakPolarHBondContact O-CB 3.25Å; E1085-T1089 VanDerWaalsContact O-CG2 3.22Å; E1085-T1089 WeakPolarHBondContact O-CG2 3.3Å; E1085-T1089 PolarHBondContact O-N 2.75Å; E1085-T1089 PolarHBondContact O-OG1 3Å; L1086-T1089 WeakPolarHBondContact CA-OG1 3.28Å; L1086-T1089 PolarHBondContact O-N 3.41Å; L1086-T1089 PolarHBondContact O-OG1 3.31Å; T1089-F1091 VanDerWaalsContact C-N 3.31Å; T1089-F1091 PolarHBondContact O-N 3.41Å; T1089-S1092 PolarHBondContact O-N 3.29Å; T1089-N1093 VanDerWaalsContact O-CB 3.28Å; T1089-N1093 WeakPolarHBondContact O-CB 3.28Å; T1089-N1093 PolarHBondContact O-N 3.22Å; T1089-N1093 PolarHBondContact O-ND2 3.34Å |
| 1090 | I | 77.7 | Confident | 79 | Confident | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -58.9 | -46.9 | 171.5 | -66.3 | 167.2 | 0 | 0 | 0 | 109.7 | T1026 F1031 L1035 F1039 L1086 I1087 N1094 | T1026-I1090 HydrophobicContact CG2-CG1 3.66Å; F1031-I1090 HydrophobicContact CE1-CD1 3.96Å; F1031-I1090 HydrophobicContact CE1-CG1 3.69Å; F1031-I1090 HydrophobicContact CE1-CG2 4.07Å; F1031-I1090 HydrophobicContact CZ-CD1 3.73Å; F1031-I1090 HydrophobicContact CZ-CG1 3.84Å; L1035-I1090 HydrophobicContact CD1-CG2 3.68Å; L1035-I1090 HydrophobicContact CD2-CG2 4.38Å; L1035-I1090 HydrophobicContact CG-CG2 3.78Å; F1039-I1090 HydrophobicContact CE1-CD1 4.48Å; F1039-I1090 HydrophobicContact CE1-CG2 4.37Å; F1039-I1090 HydrophobicContact CE2-CG2 3.54Å; F1039-I1090 HydrophobicContact CZ-CB 3.95Å; F1039-I1090 HydrophobicContact CZ-CD1 4.39Å; F1039-I1090 HydrophobicContact CZ-CG2 3.36Å; L1086-I1090 HydrophobicContact CD1-CD1 3.88Å; L1086-I1090 HydrophobicContact CD1-CG1 4.12Å; L1086-I1090 HydrophobicContact CG-CD1 3.78Å; L1086-I1090 HydrophobicContact CG-CG1 4.41Å; L1086-I1090 WeakPolarHBondContact O-CB 3.39Å; L1086-I1090 WeakPolarHBondContact O-CD1 3.49Å; L1086-I1090 WeakPolarHBondContact O-CG1 3.41Å; L1086-I1090 PolarHBondContact O-N 2.93Å; I1087-I1090 PolarHBondContact O-N 2.92Å; I1090-N1094 WeakPolarHBondContact O-CA 3.48Å; I1090-N1094 VanDerWaalsContact O-CB 3.3Å; I1090-N1094 WeakPolarHBondContact O-CB 3.29Å; I1090-N1094 PolarHBondContact O-N 3.1Å |
| 1091 | F | 77 | Confident | 78.4 | Confident | 4 Ų | 4 | 32.7 Ų | 32.7 | 2% | 0.018 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -63.6 | -43.2 | 179.2 | -173.2 | -88.5 | 0 | 0 | 0 | 112.5 | I1087 F1088 T1089 F1095 F1098 F1099 F1139 L1170 L1176 | I1087-F1091 WeakPolarHBondContact O-CB 3.18Å; I1087-F1091 PolarHBondContact O-N 3.08Å; F1088-F1091 PolarHBondContact O-N 3.21Å; T1089-F1091 VanDerWaalsContact C-N 3.31Å; T1089-F1091 PolarHBondContact O-N 3.41Å; F1091-F1095 HydrophobicContact CD1-CD2 4.49Å; F1091-F1095 AromaticContact CE1-CD2 3.81Å; F1091-F1095 HydrophobicContact CE1-CD2 3.81Å; F1091-F1095 AromaticContact CE1-CE2 3.88Å; F1091-F1095 HydrophobicContact CE1-CE2 3.88Å; F1091-F1095 AromaticContact CZ-CD2 3.96Å; F1091-F1095 HydrophobicContact CZ-CD2 3.96Å; F1091-F1095 AromaticContact CZ-CE2 3.8Å; F1091-F1095 HydrophobicContact CZ-CE2 3.8Å; F1091-F1095 WeakPolarHBondContact O-CA 3.15Å; F1091-F1095 PolarHBondContact O-N 3.2Å; F1091-F1098 HydrophobicContact CB-CE2 4.46Å; F1091-F1098 AromaticContact CD2-CD2 3.62Å; F1091-F1098 HydrophobicContact CD2-CD2 3.62Å; F1091-F1098 AromaticContact CD2-CE2 3.59Å; F1091-F1098 HydrophobicContact CD2-CE2 3.59Å; F1091-F1098 HydrophobicContact CD2-CG 4.14Å; F1091-F1098 HydrophobicContact CD2-CZ 4.08Å; F1091-F1098 HydrophobicContact CE2-CB 4.35Å; F1091-F1098 AromaticContact CE2-CD2 3.87Å; F1091-F1098 HydrophobicContact CE2-CD2 3.87Å; F1091-F1098 HydrophobicContact CE2-CE2 4.27Å; F1091-F1098 AromaticContact CE2-CG 3.99Å; F1091-F1098 HydrophobicContact CE2-CG 3.99Å; F1091-F1098 HydrophobicContact CG-CE2 4.42Å; F1091-F1099 HydrophobicContact CE2-CE2 4.14Å; F1091-F1099 AromaticContact CZ-CE2 3.89Å; F1091-F1099 HydrophobicContact CZ-CE2 3.89Å; F1091-F1139 AromaticContact CE2-CD2 3.81Å; F1091-F1139 HydrophobicContact CE2-CD2 3.81Å; F1091-F1139 AromaticContact CE2-CE2 3.66Å; F1091-F1139 HydrophobicContact CE2-CE2 3.66Å; F1091-F1139 HydrophobicContact CZ-CD2 4.5Å; F1091-F1139 AromaticContact CZ-CE2 3.91Å; F1091-F1139 HydrophobicContact CZ-CE2 3.91Å; F1091-L1170 HydrophobicContact CD1-CD1 3.37Å; F1091-L1170 HydrophobicContact CD1-CD2 3.68Å; F1091-L1170 HydrophobicContact CD1-CG 4.16Å; F1091-L1170 HydrophobicContact CE1-CD1 3.77Å; F1091-L1170 HydrophobicContact CE1-CD2 4.23Å; F1091-L1170 HydrophobicContact CG-CD1 4.3Å; F1091-L1176 HydrophobicContact CE1-CD1 3.33Å; F1091-L1176 HydrophobicContact CZ-CD1 3.32Å |
| 1092 | S | 78.9 | Confident | 77.5 | Confident | 27 Ų | 27 | 34.3 Ų | 34.3 | 19% | 0.189 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -67.2 | -48 | 179 | -178 | 0 | 0 | 0 | 0 | 112.6 | F1088 T1089 H1174 | F1088-S1092 WeakPolarHBondContact O-CB 3.12Å; F1088-S1092 PolarHBondContact O-N 2.87Å; T1089-S1092 PolarHBondContact O-N 3.29Å; S1092-H1174 PolarHBondContact O-NE2 3.27Å |
| 1093 | N | 77.1 | Confident | 76.3 | Confident | 68 Ų | 68 | 37.9 Ų | 37.9 | 36% | 0.364 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -78.2 | -34.1 | -174.1 | -68.1 | -19.6 | 0 | 0 | 0 | 112 | T1026 H1027 T1089 | T1026-N1093 PolarHBondContact OG1-ND2 3.38Å; H1027-N1093 PolarHBondContact CE1-ND2 2.92Å; H1027-N1093 VanDerWaalsContact CE1-ND2 3.28Å; H1027-N1093 PolarHBondContact ND1-ND2 3.48Å; T1089-N1093 VanDerWaalsContact O-CB 3.28Å; T1089-N1093 WeakPolarHBondContact O-CB 3.28Å; T1089-N1093 PolarHBondContact O-N 3.22Å; T1089-N1093 PolarHBondContact O-ND2 3.34Å |
| 1094 | N | 77.4 | Confident | 74.6 | Confident | 19 Ų | 19 | 44.5 Ų | 44.5 | 10% | 0.102 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -112.7 | 36.6 | -175.3 | -59.4 | -61.5 | 0 | 0 | 0 | 112.3 | L1032 L1035 I1090 S1096 F1097 | L1032-N1094 HydrophobicContact CD1-CB 4.44Å; L1035-N1094 HydrophobicContact CD1-CB 3.49Å; L1035-N1094 VanDerWaalsContact CD1-CB 3.49Å; I1090-N1094 WeakPolarHBondContact O-CA 3.48Å; I1090-N1094 VanDerWaalsContact O-CB 3.3Å; I1090-N1094 WeakPolarHBondContact O-CB 3.29Å; I1090-N1094 PolarHBondContact O-N 3.1Å; N1094-S1096 PolarHBondContact O-N 3.17Å; N1094-F1097 VanDerWaalsContact O-CB 3.23Å; N1094-F1097 WeakPolarHBondContact O-CB 3.26Å; N1094-F1097 PolarHBondContact O-N 3.13Å |
| 1095 | F | 75.2 | Confident | 72.7 | Confident | 19 Ų | 19 | 51.3 Ų | 51.3 | 8% | 0.083 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -51.7 | -34.2 | -178.6 | -171.2 | -97.4 | 0 | 0 | 0 | 113.6 | F1091 F1097 F1098 F1099 H1174 L1179 | F1091-F1095 HydrophobicContact CD1-CD2 4.49Å; F1091-F1095 AromaticContact CE1-CD2 3.81Å; F1091-F1095 HydrophobicContact CE1-CD2 3.81Å; F1091-F1095 AromaticContact CE1-CE2 3.88Å; F1091-F1095 HydrophobicContact CE1-CE2 3.88Å; F1091-F1095 AromaticContact CZ-CD2 3.96Å; F1091-F1095 HydrophobicContact CZ-CD2 3.96Å; F1091-F1095 AromaticContact CZ-CE2 3.8Å; F1091-F1095 HydrophobicContact CZ-CE2 3.8Å; F1091-F1095 WeakPolarHBondContact O-CA 3.15Å; F1091-F1095 PolarHBondContact O-N 3.2Å; F1095-F1097 PolarHBondContact O-N 2.96Å; F1095-F1098 PolarHBondContact O-N 2.65Å; F1095-F1098 VanDerWaalsContact O-N 3.09Å; F1095-F1099 HydrophobicContact CD1-CB 4.29Å; F1095-F1099 HydrophobicContact CD1-CD2 4.28Å; F1095-F1099 HydrophobicContact CD2-CD2 4.08Å; F1095-F1099 HydrophobicContact CE1-CB 3.74Å; F1095-F1099 AromaticContact CE1-CD2 3.7Å; F1095-F1099 HydrophobicContact CE1-CD2 3.7Å; F1095-F1099 AromaticContact CE1-CG 3.94Å; F1095-F1099 HydrophobicContact CE1-CG 3.94Å; F1095-F1099 AromaticContact CE2-CD2 3.46Å; F1095-F1099 HydrophobicContact CE2-CD2 3.46Å; F1095-F1099 VanDerWaalsContact CE2-CD2 3.46Å; F1095-F1099 AromaticContact CE2-CE2 3.71Å; F1095-F1099 HydrophobicContact CE2-CE2 3.71Å; F1095-F1099 HydrophobicContact CE2-CG 4.42Å; F1095-F1099 HydrophobicContact CG-CD2 4.45Å; F1095-F1099 HydrophobicContact CZ-CB 4.12Å; F1095-F1099 AromaticContact CZ-CD2 3.24Å; F1095-F1099 HydrophobicContact CZ-CD2 3.24Å; F1095-F1099 AromaticContact CZ-CE2 3.79Å; F1095-F1099 HydrophobicContact CZ-CE2 3.79Å; F1095-F1099 AromaticContact CZ-CG 3.77Å; F1095-F1099 HydrophobicContact CZ-CG 3.77Å; F1095-F1099 PolarHBondContact O-N 2.64Å; F1095-H1174 HydrophobicContact CD2-CB 4.15Å; F1095-H1174 AromaticContact CD2-CG 4Å; F1095-H1174 HydrophobicContact CE2-CB 4.03Å; F1095-H1174 HydrophobicContact CZ-CB 4.37Å; F1095-L1179 HydrophobicContact CE2-CD1 4.06Å; F1095-L1179 HydrophobicContact CZ-CD1 3.57Å; F1095-L1179 HydrophobicContact CZ-CD2 4.41Å |
| 1096 | S | 74.4 | Confident | 70.6 | Confident | 86 Ų | 86 | 55.9 Ų | 55.9 | 60% | 0.601 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -61.9 | -19.6 | 175.8 | 65.8 | 0 | 0 | 0 | 0 | 115.4 | N1094 | N1094-S1096 PolarHBondContact O-N 3.17Å |
| 1097 | F | 76 | Confident | 68.6 | Low | 37 Ų | 37 | 60.7 Ų | 60.7 | 16% | 0.162 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -70 | -34.7 | 174 | 177.2 | -95 | 0 | 0 | 0 | 111.9 | L1035 N1094 F1095 N1135 I1138 | L1035-F1097 HydrophobicContact CD1-CB 4.34Å; L1035-F1097 HydrophobicContact CD1-CG 4.26Å; L1035-F1097 HydrophobicContact CD2-CB 4.38Å; L1035-F1097 HydrophobicContact CD2-CD1 3.27Å; L1035-F1097 HydrophobicContact CD2-CD2 3.76Å; L1035-F1097 HydrophobicContact CD2-CE1 3.24Å; L1035-F1097 HydrophobicContact CD2-CE2 3.74Å; L1035-F1097 HydrophobicContact CD2-CG 3.53Å; L1035-F1097 HydrophobicContact CD2-CZ 3.48Å; L1035-F1097 VanDerWaalsContact CD2-CZ 3.48Å; N1094-F1097 VanDerWaalsContact O-CB 3.23Å; N1094-F1097 WeakPolarHBondContact O-CB 3.26Å; N1094-F1097 PolarHBondContact O-N 3.13Å; F1095-F1097 PolarHBondContact O-N 2.96Å; F1097-N1135 HydrophobicContact CE1-CB 4.33Å; F1097-N1135 VanDerWaalsContact CE1-ND2 3.26Å; F1097-N1135 WeakPolarHBondContact CE1-ND2 3.32Å; F1097-N1135 WeakPolarHBondContact CZ-ND2 3.45Å; F1097-N1135 PolarHBondContact O-ND2 3.27Å; F1097-N1135 VanDerWaalsContact O-ND2 3.17Å; F1097-I1138 HydrophobicContact CE1-CD1 4.25Å; F1097-I1138 HydrophobicContact CZ-CD1 4.33Å |
| 1098 | F | 74.4 | Confident | 66.4 | Low | 0 Ų | 0 | 68.3 Ų | 68.3 | 0% | 0 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -88.6 | -39.3 | -179.5 | -65.7 | -79.1 | 0 | 0 | 0 | 112 | F1039 F1091 F1095 N1134 I1138 F1139 L1142 | F1039-F1098 HydrophobicContact CD2-CZ 4.43Å; F1039-F1098 HydrophobicContact CE2-CE1 4.44Å; F1039-F1098 HydrophobicContact CE2-CE2 4.12Å; F1039-F1098 AromaticContact CE2-CZ 3.48Å; F1039-F1098 HydrophobicContact CE2-CZ 3.48Å; F1039-F1098 VanDerWaalsContact CE2-CZ 3.48Å; F1039-F1098 HydrophobicContact CZ-CE2 4.18Å; F1039-F1098 AromaticContact CZ-CZ 3.6Å; F1039-F1098 HydrophobicContact CZ-CZ 3.6Å; F1091-F1098 HydrophobicContact CB-CE2 4.46Å; F1091-F1098 AromaticContact CD2-CD2 3.62Å; F1091-F1098 HydrophobicContact CD2-CD2 3.62Å; F1091-F1098 AromaticContact CD2-CE2 3.59Å; F1091-F1098 HydrophobicContact CD2-CE2 3.59Å; F1091-F1098 HydrophobicContact CD2-CG 4.14Å; F1091-F1098 HydrophobicContact CD2-CZ 4.08Å; F1091-F1098 HydrophobicContact CE2-CB 4.35Å; F1091-F1098 AromaticContact CE2-CD2 3.87Å; F1091-F1098 HydrophobicContact CE2-CD2 3.87Å; F1091-F1098 HydrophobicContact CE2-CE2 4.27Å; F1091-F1098 AromaticContact CE2-CG 3.99Å; F1091-F1098 HydrophobicContact CE2-CG 3.99Å; F1091-F1098 HydrophobicContact CG-CE2 4.42Å; F1095-F1098 PolarHBondContact O-N 2.65Å; F1095-F1098 VanDerWaalsContact O-N 3.09Å; F1098-N1134 PolarHBondContact O-N 3.26Å; F1098-I1138 HydrophobicContact CE1-CB 4.46Å; F1098-I1138 HydrophobicContact CE1-CG2 3.98Å; F1098-F1139 HydrophobicContact CD1-CB 4.11Å; F1098-F1139 HydrophobicContact CD1-CD2 4.29Å; F1098-L1142 HydrophobicContact CE1-CD1 4.11Å; F1098-L1142 HydrophobicContact CZ-CD1 3.96Å |
| 1099 | F | 76.4 | Confident | 64.1 | Low | 5 Ų | 5 | 72.6 Ų | 72.6 | 2% | 0.022 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 119.2 | -173 | -63.9 | -81.7 | 0 | 0 | 0 | 111.8 | F1091 F1095 Y1131 S1132 L1133 F1139 L1179 | F1091-F1099 HydrophobicContact CE2-CE2 4.14Å; F1091-F1099 AromaticContact CZ-CE2 3.89Å; F1091-F1099 HydrophobicContact CZ-CE2 3.89Å; F1095-F1099 HydrophobicContact CD1-CB 4.29Å; F1095-F1099 HydrophobicContact CD1-CD2 4.28Å; F1095-F1099 HydrophobicContact CD2-CD2 4.08Å; F1095-F1099 HydrophobicContact CE1-CB 3.74Å; F1095-F1099 AromaticContact CE1-CD2 3.7Å; F1095-F1099 HydrophobicContact CE1-CD2 3.7Å; F1095-F1099 AromaticContact CE1-CG 3.94Å; F1095-F1099 HydrophobicContact CE1-CG 3.94Å; F1095-F1099 AromaticContact CE2-CD2 3.46Å; F1095-F1099 HydrophobicContact CE2-CD2 3.46Å; F1095-F1099 VanDerWaalsContact CE2-CD2 3.46Å; F1095-F1099 AromaticContact CE2-CE2 3.71Å; F1095-F1099 HydrophobicContact CE2-CE2 3.71Å; F1095-F1099 HydrophobicContact CE2-CG 4.42Å; F1095-F1099 HydrophobicContact CG-CD2 4.45Å; F1095-F1099 HydrophobicContact CZ-CB 4.12Å; F1095-F1099 AromaticContact CZ-CD2 3.24Å; F1095-F1099 HydrophobicContact CZ-CD2 3.24Å; F1095-F1099 AromaticContact CZ-CE2 3.79Å; F1095-F1099 HydrophobicContact CZ-CE2 3.79Å; F1095-F1099 AromaticContact CZ-CG 3.77Å; F1095-F1099 HydrophobicContact CZ-CG 3.77Å; F1095-F1099 PolarHBondContact O-N 2.64Å; F1099-Y1131 HydrophobicContact CB-CD1 4.07Å; F1099-Y1131 HydrophobicContact CB-CG 4.47Å; F1099-S1132 CarbonylContact C-O 3.58Å; F1099-S1132 WeakPolarHBondContact CA-O 3.39Å; F1099-L1133 HydrophobicContact CD1-CB 4.44Å; F1099-L1133 HydrophobicContact CD1-CG 4.3Å; F1099-L1133 HydrophobicContact CE1-CB 4.3Å; F1099-L1133 HydrophobicContact CE1-CD1 3.82Å; F1099-L1133 HydrophobicContact CE1-CG 3.89Å; F1099-L1133 HydrophobicContact CZ-CD1 4.15Å; F1099-L1133 HydrophobicContact CZ-CG 4.4Å; F1099-F1139 HydrophobicContact CE2-CD2 4.3Å; F1099-F1139 AromaticContact CE2-CE2 3.96Å; F1099-F1139 HydrophobicContact CE2-CE2 3.96Å; F1099-F1139 HydrophobicContact CZ-CD2 4.21Å; F1099-F1139 HydrophobicContact CZ-CE1 4.46Å; F1099-F1139 AromaticContact CZ-CE2 3.77Å; F1099-F1139 HydrophobicContact CZ-CE2 3.77Å; F1099-F1139 AromaticContact CZ-CZ 3.89Å; F1099-F1139 HydrophobicContact CZ-CZ 3.89Å; F1099-L1179 HydrophobicContact CD1-CD1 4.43Å; F1099-L1179 HydrophobicContact CD2-CD1 4.39Å; F1099-L1179 HydrophobicContact CE1-CD1 4Å; F1099-L1179 HydrophobicContact CE2-CD1 3.98Å; F1099-L1179 HydrophobicContact CZ-CD1 3.76Å |
| 1100 | I | 73.8 | Confident | 62 | Low | 74 Ų | 74 | 78.5 Ų | 78.5 | 38% | 0.379 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 134.7 | 172.6 | -68.7 | 167 | 0 | 0 | 0 | 109.2 | N1102 Y1131 S1132 N1134 | I1100-N1102 PolarHBondContact O-N 3.42Å; I1100-Y1131 CarbonylContact O-C 3.02Å; I1100-Y1131 VanDerWaalsContact O-CA 3.26Å; I1100-Y1131 WeakPolarHBondContact O-CA 3.35Å; I1100-S1132 PolarHBondContact N-O 3.02Å; I1100-S1132 PolarHBondContact O-N 3.36Å; I1100-S1132 PolarHBondContact O-OG 3.27Å; I1100-N1134 HydrophobicContact CD1-CB 3.6Å; I1100-N1134 WeakPolarHBondContact CD1-OD1 3.16Å; I1100-N1134 HydrophobicContact CG1-CB 3.86Å |
| 1101 | R | 68.5 | Low | 60 | Low | 136 Ų | 136 | 84.3 Ų | 84.3 | 51% | 0.513 | 47% | 0.465 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 117.6 | 171.7 | -169.8 | 173.2 | 172.1 | 175.9 | -3.3 | 110.6 | N1103 R1130 Y1131 | R1101-N1103 PolarHBondContact O-N 3.19Å; R1101-R1130 CarbonylContact C-O 3.56Å; R1101-R1130 WeakPolarHBondContact CA-O 3.43Å; R1101-Y1131 HydrophobicContact CB-CD1 4.16Å; R1101-Y1131 HydrophobicContact CB-CE1 3.84Å; R1101-Y1131 HydrophobicContact CG-CE1 4.19Å |
| 1102 | N | 64.5 | Low | 58.1 | Low | 76 Ų | 76 | 90.5 Ų | 90.5 | 41% | 0.406 | 50% | 0.503 | S | S | . | . | trans | -65.8 | 110.3 | 174.2 | -69.9 | -18.2 | 0 | 0 | 0 | 109.9 | I1100 N1104 Q1129 R1130 S1132 | I1100-N1102 PolarHBondContact O-N 3.42Å; N1102-N1104 VanDerWaalsContact C-N 3.31Å; N1102-N1104 PolarHBondContact O-N 2.95Å; N1102-Q1129 PolarHBondContact ND2-O 3.1Å; N1102-R1130 PolarHBondContact N-O 3.15Å; N1102-S1132 WeakPolarHBondContact OD1-CB 3.24Å; N1102-S1132 PolarHBondContact OD1-OG 3.16Å | ||
| 1103 | N | 54.6 | Low | 55.9 | Low | 134 Ų | 134 | 97 Ų | 97 | 72% | 0.717 | 53% | 0.534 | S | S | * | . | trans | -91.1 | 24 | 178.2 | -88.8 | -6.5 | 0 | 0 | 0 | 113.7 | R1101 N1105 | R1101-N1103 PolarHBondContact O-N 3.19Å; N1103-N1105 VanDerWaalsContact C-N 3.27Å; N1103-N1105 PolarHBondContact O-N 3.49Å | ||
| 1104 | N | 47.5 | Very low | 53.9 | Low | 144 Ų | 144 | 100.2 Ų | 100.2 | 77% | 0.77 | 56% | 0.556 | S | S | * | * | trans | -77.2 | 73.1 | 179.5 | -78.3 | -1.7 | 0 | 0 | 0 | 111.9 | N1102 | N1102-N1104 VanDerWaalsContact C-N 3.31Å; N1102-N1104 PolarHBondContact O-N 2.95Å | ||
| 1105 | N | 44.6 | Very low | 51.8 | Low | 148 Ų | 148 | 104.6 Ų | 104.6 | 79% | 0.791 | 59% | 0.588 | S | S | * | * | trans | -121.2 | 3.9 | 165.7 | -91.9 | 5.6 | 0 | 0 | 0 | 113.7 | N1103 | N1103-N1105 VanDerWaalsContact C-N 3.27Å; N1103-N1105 PolarHBondContact O-N 3.49Å | ||
| 1106 | N | 41.5 | Very low | 49.6 | Very low | 161 Ų | 161 | 108.8 Ų | 108.8 | 86% | 0.861 | 62% | 0.62 | S | S | * | * | S | Bend | trans | -105.6 | 6.2 | -174.3 | -82.1 | 4.3 | 0 | 0 | 0 | 116.3 | ||
| 1107 | S | 38.4 | Very low | 47.7 | Very low | 101 Ų | 101 | 110.5 Ų | 110.5 | 71% | 0.706 | 63% | 0.627 | S | S | * | * | trans | -118.1 | 61.2 | 176.4 | 66.5 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1108 | L | 36 | Very low | 45.6 | Very low | 163 Ų | 163 | 116.6 Ų | 116.6 | 85% | 0.853 | 66% | 0.659 | S | S | * | * | trans | -141.6 | 47.2 | 164.4 | -132.7 | 102.1 | 0 | 0 | 0 | 110.6 | ||||
| 1109 | S | 34.2 | Very low | 43.5 | Very low | 94 Ų | 94 | 122.3 Ų | 122.3 | 66% | 0.657 | 69% | 0.69 | S | S | * | * | trans | -97.1 | 134.7 | 162.1 | 51 | 0 | 0 | 0 | 0 | 109 | ||||
| 1110 | N | 34.4 | Very low | 41.5 | Very low | 153 Ų | 153 | 131.3 Ų | 131.3 | 82% | 0.818 | 73% | 0.729 | S | S | * | * | trans | 98.8 | 23.2 | 162.4 | -55.3 | -10 | 0 | 0 | 0 | 120.5 | ||||
| 1111 | T | 36.3 | Very low | 39.7 | Very low | 121 Ų | 121 | 132.6 Ų | 132.6 | 74% | 0.742 | 74% | 0.744 | S | S | * | * | trans | -99.9 | 101.7 | 157.7 | 44.9 | 0 | 0 | 0 | 0 | 110.5 | I1113 | T1111-I1113 PolarHBondContact O-N 3.43Š| ||
| 1112 | T | 35.8 | Very low | 38 | Very low | 134 Ų | 134 | 134.3 Ų | 134.3 | 82% | 0.822 | 76% | 0.76 | S | S | * | * | trans | -37.3 | 121 | 172.1 | 36.3 | 0 | 0 | 0 | 0 | 112.9 | T1114 | T1112-T1114 PolarHBondContact O-N 2.94Š| ||
| 1113 | I | 33.3 | Very low | 36.6 | Very low | 165 Ų | 165 | 138 Ų | 138 | 85% | 0.846 | 78% | 0.779 | S | S | * | * | trans | -68.6 | 102.9 | 179.9 | -61.5 | 160 | 0 | 0 | 0 | 108.6 | T1111 | T1111-I1113 PolarHBondContact O-N 3.43Š| ||
| 1114 | T | 35.1 | Very low | 35.5 | Very low | 134 Ų | 134 | 139.1 Ų | 139.1 | 82% | 0.822 | 78% | 0.783 | S | S | * | * | trans | -93.1 | 110.8 | 156.2 | 46.6 | 0 | 0 | 0 | 0 | 108.4 | T1112 S1116 | T1112-T1114 PolarHBondContact O-N 2.94Å; T1114-S1116 PolarHBondContact O-N 2.85Å | ||
| 1115 | S | 32.2 | Very low | 35 | Very low | 111 Ų | 111 | 136.2 Ų | 136.2 | 78% | 0.776 | 77% | 0.771 | S | S | * | * | trans | -61.8 | 106.7 | 178.6 | 50.2 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1116 | S | 30.6 | Very low | 35.2 | Very low | 108 Ų | 108 | 132.9 Ų | 132.9 | 76% | 0.755 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -170.3 | 130.7 | 135.8 | 48.4 | 0 | 0 | 0 | 0 | 109.8 | T1114 | T1114-S1116 PolarHBondContact O-N 2.85Š|
| 1117 | V | 33.5 | Very low | 35.5 | Very low | 122 Ų | 122 | 129.8 Ų | 129.8 | 74% | 0.739 | 74% | 0.74 | S | S | * | * | trans | 68.2 | 77.7 | 175.1 | -159.6 | 0 | 0 | 0 | 0 | 115.4 | N1119 | V1117-N1119 VanDerWaalsContact C-N 3.33Å; V1117-N1119 PolarHBondContact O-N 2.91Å | ||
| 1118 | I | 31.9 | Very low | 36.1 | Very low | 165 Ų | 165 | 127.4 Ų | 127.4 | 85% | 0.846 | 72% | 0.719 | S | S | * | * | trans | -66.4 | 93 | 162.1 | -62.7 | 168.9 | 0 | 0 | 0 | 107.6 | K1120 | I1118-K1120 PolarHBondContact O-N 2.75Š| ||
| 1119 | N | 31.5 | Very low | 36.9 | Very low | 119 Ų | 119 | 126.3 Ų | 126.3 | 64% | 0.636 | 71% | 0.709 | S | S | * | * | trans | -66.8 | 111.4 | 164.1 | -88.6 | -15.8 | 0 | 0 | 0 | 108.2 | V1117 S1121 | V1117-N1119 VanDerWaalsContact C-N 3.33Å; V1117-N1119 PolarHBondContact O-N 2.91Å; N1119-S1121 PolarHBondContact O-N 3.38Å | ||
| 1120 | K | 33.6 | Very low | 38 | Very low | 194 Ų | 194 | 127.1 Ų | 127.1 | 84% | 0.843 | 70% | 0.698 | S | S | * | * | G | 310 helix | trans | -58.6 | 3.3 | 175.8 | -96.3 | 179.2 | 174.4 | 177.7 | 0 | 114.8 | I1118 M1122 | I1118-K1120 PolarHBondContact O-N 2.75Å; K1120-M1122 VanDerWaalsContact C-N 3.33Å; K1120-M1122 PolarHBondContact O-N 3.01Å |
| 1121 | S | 35.4 | Very low | 39.5 | Very low | 101 Ų | 101 | 123.7 Ų | 123.7 | 71% | 0.706 | 67% | 0.674 | S | S | * | * | G | 310 helix | trans | -78.2 | -7.2 | -178.2 | 55.1 | 0 | 0 | 0 | 0 | 114.9 | N1119 | N1119-S1121 PolarHBondContact O-N 3.38Š|
| 1122 | M | 32.8 | Very low | 41.2 | Very low | 172 Ų | 172 | 120 Ų | 120 | 85% | 0.847 | 65% | 0.653 | S | S | * | * | G | 310 helix | trans | -92.1 | -6.3 | -178.4 | -96.2 | -166.7 | 168.5 | 0 | 0 | 116.6 | K1120 | K1120-M1122 VanDerWaalsContact C-N 3.33Å; K1120-M1122 PolarHBondContact O-N 3.01Å |
| 1123 | I | 34.7 | Very low | 43 | Very low | 155 Ų | 155 | 115.3 Ų | 115.3 | 80% | 0.795 | 62% | 0.622 | S | S | * | * | S | Bend | trans | -89.6 | -1.3 | -175.6 | -62.8 | 178.3 | 0 | 0 | 0 | 113.5 | ||
| 1124 | L | 33 | Very low | 44.9 | Very low | 156 Ų | 156 | 111.6 Ų | 111.6 | 82% | 0.817 | 60% | 0.604 | S | S | * | * | trans | -127.8 | 69.1 | 178.6 | -75.1 | 156.5 | 0 | 0 | 0 | 110.7 | P1126 | L1124-P1126 VanDerWaalsContact O-CD 3.27Å; L1124-P1126 WeakPolarHBondContact O-CD 3.34Å; L1124-P1126 VanDerWaalsContact O-N 3.17Å | ||
| 1125 | T | 36.7 | Very low | 46.8 | Very low | 83 Ų | 83 | 107.5 Ų | 107.5 | 51% | 0.509 | 58% | 0.578 | S | S | . | * | trans | -61.6 | 115 | 162 | 49.5 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 1126 | P | 47.5 | Very low | 48.9 | Very low | 79 Ų | 79 | 104.8 Ų | 104.8 | 51% | 0.513 | 56% | 0.558 | S | S | . | * | trans | -62.9 | 150.3 | -173 | 24.1 | -31.7 | 0 | 0 | 0 | 110.5 | L1124 M1128 Q1129 | L1124-P1126 VanDerWaalsContact O-CD 3.27Å; L1124-P1126 WeakPolarHBondContact O-CD 3.34Å; L1124-P1126 VanDerWaalsContact O-N 3.17Å; P1126-M1128 PolarHBondContact O-N 3.33Å; P1126-Q1129 PolarHBondContact O-N 3.38Å | ||
| 1127 | I | 48.9 | Very low | 51.1 | Low | 95 Ų | 95 | 105.1 Ų | 105.1 | 49% | 0.487 | 55% | 0.552 | S | S | . | * | G | 310 helix | trans | -45.6 | -28.1 | -179.4 | -66.5 | 166.8 | 0 | 0 | 0 | 112.2 | Q1129 R1130 | I1127-Q1129 VanDerWaalsContact C-N 3.33Å; I1127-Q1129 PolarHBondContact O-N 3.05Å; I1127-R1130 WeakPolarHBondContact O-CB 3.47Å; I1127-R1130 PolarHBondContact O-N 3.22Å |
| 1128 | M | 50 | Low | 53.3 | Low | 52 Ų | 52 | 100 Ų | 100 | 26% | 0.256 | 52% | 0.52 | S | S | . | . | G | 310 helix | trans | -59.8 | -25 | -176.8 | -54.5 | -168.9 | 103.5 | 0 | 0 | 116.2 | P1126 D1178 T1222 | P1126-M1128 PolarHBondContact O-N 3.33Å; M1128-D1178 WeakPolarHBondContact CE-O 3.5Å; M1128-T1222 WeakPolarHBondContact CE-OG1 3.17Å |
| 1129 | Q | 52.9 | Low | 55.6 | Low | 139 Ų | 139 | 92.1 Ų | 92.1 | 65% | 0.65 | 48% | 0.479 | S | S | * | . | G | 310 helix | trans | -91.8 | -2.4 | 178.6 | -75.2 | -175.3 | -12.5 | 0 | 0 | 114.2 | N1102 P1126 I1127 | N1102-Q1129 PolarHBondContact ND2-O 3.1Å; P1126-Q1129 PolarHBondContact O-N 3.38Å; I1127-Q1129 VanDerWaalsContact C-N 3.33Å; I1127-Q1129 PolarHBondContact O-N 3.05Å |
| 1130 | R | 57.9 | Low | 58 | Low | 112 Ų | 112 | 89.6 Ų | 89.6 | 42% | 0.423 | 46% | 0.464 | S | S | . | . | S | Bend | trans | -78.2 | -17.6 | -174.7 | -71.3 | -174.5 | 178.9 | 169.5 | 2.5 | 114 | R1101 N1102 I1127 | R1101-R1130 CarbonylContact C-O 3.56Å; R1101-R1130 WeakPolarHBondContact CA-O 3.43Å; N1102-R1130 PolarHBondContact N-O 3.15Å; I1127-R1130 WeakPolarHBondContact O-CB 3.47Å; I1127-R1130 PolarHBondContact O-N 3.22Å |
| 1131 | Y | 66.7 | Low | 60.2 | Low | 81 Ų | 81 | 83.8 Ų | 83.8 | 32% | 0.318 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 129.9 | -176.9 | -67.1 | -78.2 | 0 | 0 | 0 | 110.8 | F1099 I1100 R1101 L1179 | F1099-Y1131 HydrophobicContact CB-CD1 4.07Å; F1099-Y1131 HydrophobicContact CB-CG 4.47Å; I1100-Y1131 CarbonylContact O-C 3.02Å; I1100-Y1131 VanDerWaalsContact O-CA 3.26Å; I1100-Y1131 WeakPolarHBondContact O-CA 3.35Å; R1101-Y1131 HydrophobicContact CB-CD1 4.16Å; R1101-Y1131 HydrophobicContact CB-CE1 3.84Å; R1101-Y1131 HydrophobicContact CG-CE1 4.19Å; Y1131-L1179 HydrophobicContact CD2-CD2 4.12Å; Y1131-L1179 HydrophobicContact CG-CD2 4.44Å |
| 1132 | S | 70.4 | Confident | 62.4 | Low | 43 Ų | 43 | 79 Ų | 79 | 30% | 0.301 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 144.3 | 168 | 51.5 | 0 | 0 | 0 | 0 | 109.5 | F1099 I1100 N1102 | F1099-S1132 CarbonylContact C-O 3.58Å; F1099-S1132 WeakPolarHBondContact CA-O 3.39Å; I1100-S1132 PolarHBondContact N-O 3.02Å; I1100-S1132 PolarHBondContact O-N 3.36Å; I1100-S1132 PolarHBondContact O-OG 3.27Å; N1102-S1132 WeakPolarHBondContact OD1-CB 3.24Å; N1102-S1132 PolarHBondContact OD1-OG 3.16Å |
| 1133 | L | 74.8 | Confident | 64.9 | Low | 35 Ų | 35 | 70.8 Ų | 70.8 | 18% | 0.183 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 121 | -177.1 | -154.5 | 159.4 | 0 | 0 | 0 | 109.7 | F1099 N1135 F1139 D1181 | F1099-L1133 HydrophobicContact CD1-CB 4.44Å; F1099-L1133 HydrophobicContact CD1-CG 4.3Å; F1099-L1133 HydrophobicContact CE1-CB 4.3Å; F1099-L1133 HydrophobicContact CE1-CD1 3.82Å; F1099-L1133 HydrophobicContact CE1-CG 3.89Å; F1099-L1133 HydrophobicContact CZ-CD1 4.15Å; F1099-L1133 HydrophobicContact CZ-CG 4.4Å; L1133-N1135 VanDerWaalsContact CD2-C 3.43Å; L1133-F1139 HydrophobicContact CD1-CB 4.44Å; L1133-F1139 HydrophobicContact CD1-CD1 3.6Å; L1133-F1139 HydrophobicContact CD1-CE1 3.99Å; L1133-F1139 HydrophobicContact CD1-CG 4.06Å; L1133-F1139 HydrophobicContact CD2-CB 4.21Å; L1133-D1181 WeakPolarHBondContact CB-OD2 3.18Å; L1133-D1181 HydrophobicContact CD1-CB 3.87Å |
| 1134 | N | 72.7 | Confident | 67.2 | Low | 88 Ų | 88 | 66.1 Ų | 66.1 | 47% | 0.471 | 34% | 0.337 | S | S | . | . | S | Bend | trans | -89.6 | -40.5 | -173.1 | -169.3 | 31.5 | 0 | 0 | 0 | 112.9 | F1098 I1100 | F1098-N1134 PolarHBondContact O-N 3.26Å; I1100-N1134 HydrophobicContact CD1-CB 3.6Å; I1100-N1134 WeakPolarHBondContact CD1-OD1 3.16Å; I1100-N1134 HydrophobicContact CG1-CB 3.86Å |
| 1135 | N | 74.7 | Confident | 69.6 | Low | 48 Ų | 48 | 58.8 Ų | 58.8 | 26% | 0.257 | 30% | 0.298 | S | S | . | . | trans | -119.7 | 73.1 | -179.1 | -70.9 | -49.3 | 0 | 0 | 0 | 110.5 | F1097 L1133 D1137 I1138 F1139 | F1097-N1135 HydrophobicContact CE1-CB 4.33Å; F1097-N1135 VanDerWaalsContact CE1-ND2 3.26Å; F1097-N1135 WeakPolarHBondContact CE1-ND2 3.32Å; F1097-N1135 WeakPolarHBondContact CZ-ND2 3.45Å; F1097-N1135 PolarHBondContact O-ND2 3.27Å; F1097-N1135 VanDerWaalsContact O-ND2 3.17Å; L1133-N1135 VanDerWaalsContact CD2-C 3.43Å; N1135-D1137 VanDerWaalsContact C-N 3.3Å; N1135-D1137 PolarHBondContact O-N 3.48Å; N1135-I1138 HydrophobicContact CB-CD1 4.43Å; N1135-F1139 PolarHBondContact O-N 2.71Å | ||
| 1136 | S | 75.8 | Confident | 71.9 | Confident | 53 Ų | 53 | 55 Ų | 55 | 37% | 0.371 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -53.7 | -45.6 | -178.3 | 51.9 | 0 | 0 | 0 | 0 | 112.9 | I1138 F1139 H1140 | S1136-I1138 PolarHBondContact O-N 3.01Å; S1136-F1139 PolarHBondContact O-N 3.15Å; S1136-H1140 WeakPolarHBondContact O-CB 3.22Å; S1136-H1140 PolarHBondContact O-CD2 3.21Å; S1136-H1140 PolarHBondContact O-N 2.67Å |
| 1137 | D | 77.1 | Confident | 73.5 | Confident | 115 Ų | 115 | 52 Ų | 52 | 62% | 0.615 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -67.9 | -43.5 | -167.8 | -54.1 | -12.4 | 0 | 0 | 0 | 110.9 | N1135 R1141 | N1135-D1137 VanDerWaalsContact C-N 3.3Å; N1135-D1137 PolarHBondContact O-N 3.48Å; D1137-R1141 WeakPolarHBondContact O-CB 3.34Å; D1137-R1141 VanDerWaalsContact O-CG 3.22Å; D1137-R1141 WeakPolarHBondContact O-CG 3.37Å; D1137-R1141 PolarHBondContact O-N 3.48Å |
| 1138 | I | 79.4 | Confident | 75.1 | Confident | 14 Ų | 14 | 47.9 Ų | 47.9 | 7% | 0.072 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -67.5 | -43.3 | 177.9 | -55.9 | 175 | 0 | 0 | 0 | 110.2 | K1036 F1039 F1097 F1098 N1135 S1136 R1141 L1142 | K1036-I1138 HydrophobicContact CG-CD1 4.2Å; F1039-I1138 HydrophobicContact CB-CG2 4.38Å; F1039-I1138 HydrophobicContact CD2-CG2 4.11Å; F1039-I1138 HydrophobicContact CG-CG2 4.16Å; F1097-I1138 HydrophobicContact CE1-CD1 4.25Å; F1097-I1138 HydrophobicContact CZ-CD1 4.33Å; F1098-I1138 HydrophobicContact CE1-CB 4.46Å; F1098-I1138 HydrophobicContact CE1-CG2 3.98Å; N1135-I1138 HydrophobicContact CB-CD1 4.43Å; S1136-I1138 PolarHBondContact O-N 3.01Å; I1138-R1141 PolarHBondContact O-N 3.24Å; I1138-L1142 HydrophobicContact CG2-CD1 4.21Å; I1138-L1142 WeakPolarHBondContact O-CG 3.27Å; I1138-L1142 PolarHBondContact O-N 3.15Å |
| 1139 | F | 81.4 | Confident | 76.6 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61.8 | -48.4 | 179 | 179.9 | -101.9 | 0 | 0 | 0 | 111.9 | F1091 F1098 F1099 L1133 N1135 S1136 L1142 M1143 F1182 | F1091-F1139 AromaticContact CE2-CD2 3.81Å; F1091-F1139 HydrophobicContact CE2-CD2 3.81Å; F1091-F1139 AromaticContact CE2-CE2 3.66Å; F1091-F1139 HydrophobicContact CE2-CE2 3.66Å; F1091-F1139 HydrophobicContact CZ-CD2 4.5Å; F1091-F1139 AromaticContact CZ-CE2 3.91Å; F1091-F1139 HydrophobicContact CZ-CE2 3.91Å; F1098-F1139 HydrophobicContact CD1-CB 4.11Å; F1098-F1139 HydrophobicContact CD1-CD2 4.29Å; F1099-F1139 HydrophobicContact CE2-CD2 4.3Å; F1099-F1139 AromaticContact CE2-CE2 3.96Å; F1099-F1139 HydrophobicContact CE2-CE2 3.96Å; F1099-F1139 HydrophobicContact CZ-CD2 4.21Å; F1099-F1139 HydrophobicContact CZ-CE1 4.46Å; F1099-F1139 AromaticContact CZ-CE2 3.77Å; F1099-F1139 HydrophobicContact CZ-CE2 3.77Å; F1099-F1139 AromaticContact CZ-CZ 3.89Å; F1099-F1139 HydrophobicContact CZ-CZ 3.89Å; L1133-F1139 HydrophobicContact CD1-CB 4.44Å; L1133-F1139 HydrophobicContact CD1-CD1 3.6Å; L1133-F1139 HydrophobicContact CD1-CE1 3.99Å; L1133-F1139 HydrophobicContact CD1-CG 4.06Å; L1133-F1139 HydrophobicContact CD2-CB 4.21Å; N1135-F1139 PolarHBondContact O-N 2.71Å; S1136-F1139 PolarHBondContact O-N 3.15Å; F1139-L1142 PolarHBondContact O-N 2.71Å; F1139-M1143 HydrophobicContact CD1-CG 4.3Å; F1139-M1143 HydrophobicContact CD2-CG 4.49Å; F1139-M1143 HydrophobicContact CE1-CG 3.92Å; F1139-M1143 HydrophobicContact CE2-CE 4.11Å; F1139-M1143 HydrophobicContact CE2-CG 4.1Å; F1139-M1143 HydrophobicContact CE2-SD 4.32Å; F1139-M1143 HydrophobicContact CZ-CG 3.81Å; F1139-M1143 HydrophobicContact CZ-SD 4.23Å; F1139-M1143 WeakPolarHBondContact O-CG 3.11Å; F1139-M1143 PolarHBondContact O-N 2.88Å; F1139-F1182 HydrophobicContact CZ-CD2 4.12Å |
| 1140 | H | 82 | Confident | 77.8 | Confident | 66 Ų | 66 | 38.9 Ų | 38.9 | 31% | 0.306 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -65.9 | -38.4 | 179.4 | -73.3 | -65.2 | 0 | 0 | 0 | 112.1 | S1136 L1142 M1143 F1144 W1186 | S1136-H1140 WeakPolarHBondContact O-CB 3.22Å; S1136-H1140 PolarHBondContact O-CD2 3.21Å; S1136-H1140 PolarHBondContact O-N 2.67Å; H1140-L1142 PolarHBondContact O-N 2.85Å; H1140-M1143 PolarHBondContact O-N 3.4Å; H1140-F1144 VanDerWaalsContact O-CB 3.31Å; H1140-F1144 WeakPolarHBondContact O-CB 3.37Å; H1140-F1144 PolarHBondContact O-N 3.18Å; H1140-W1186 HydrophobicContact CB-CZ2 4.22Å; H1140-W1186 AromaticContact CE1-NE1 3.74Å; H1140-W1186 AromaticContact ND1-CE2 3.71Å; H1140-W1186 AromaticContact ND1-CZ2 3.79Å; H1140-W1186 AromaticContact ND1-NE1 3.1Å; H1140-W1186 PolarHBondContact ND1-NE1 2.78Å; H1140-W1186 VanDerWaalsContact O-CZ2 3.31Å; H1140-W1186 WeakPolarHBondContact O-CZ2 3.34Å |
| 1141 | R | 79.3 | Confident | 78.9 | Confident | 72 Ų | 72 | 36.6 Ų | 36.6 | 27% | 0.272 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -59.1 | -45 | 173.1 | -78.1 | 174.7 | 175.3 | 179.6 | -2.1 | 112.2 | E1040 D1060 D1137 I1138 F1144 I1145 | E1040-R1141 IonicContact OE1-NH1 3.02Å; D1060-R1141 IonicContact OD1-CZ 2.94Å; D1060-R1141 IonicContact OD1-NE 3.34Å; D1060-R1141 PolarHBondContact OD1-NE 3.37Å; D1060-R1141 IonicContact OD1-NH2 3.97Å; D1060-R1141 PolarHBondContact OD1-NH2 3.49Å; D1060-R1141 IonicContact OD2-NH2 2.74Å; D1060-R1141 PolarHBondContact OD2-NH2 3.46Å; D1137-R1141 WeakPolarHBondContact O-CB 3.34Å; D1137-R1141 VanDerWaalsContact O-CG 3.22Å; D1137-R1141 WeakPolarHBondContact O-CG 3.37Å; D1137-R1141 PolarHBondContact O-N 3.48Å; I1138-R1141 PolarHBondContact O-N 3.24Å; R1141-F1144 WeakPolarHBondContact O-CB 3.27Å; R1141-F1144 PolarHBondContact O-N 3.08Å; R1141-I1145 VanDerWaalsContact O-CG1 3.3Å; R1141-I1145 WeakPolarHBondContact O-CG1 3.1Å; R1141-I1145 PolarHBondContact O-N 3.35Å |
| 1142 | L | 82.3 | Confident | 79 | Confident | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.005 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -65.1 | -47.1 | 179.2 | -73.7 | 174.4 | 0 | 0 | 0 | 112.6 | F1039 I1043 I1087 F1098 I1138 F1139 H1140 F1144 I1145 F1146 | F1039-L1142 HydrophobicContact CD1-CD1 4.03Å; F1039-L1142 HydrophobicContact CD1-CD2 4.05Å; F1039-L1142 HydrophobicContact CE1-CD1 3.56Å; F1039-L1142 HydrophobicContact CE1-CD2 4.03Å; F1039-L1142 HydrophobicContact CE1-CG 4.38Å; F1039-L1142 HydrophobicContact CZ-CD1 3.89Å; I1043-L1142 HydrophobicContact CD1-CD2 4.06Å; I1087-L1142 HydrophobicContact CD1-CD2 4.11Å; I1087-L1142 HydrophobicContact CG2-CD1 4.31Å; I1087-L1142 HydrophobicContact CG2-CD2 3.64Å; F1098-L1142 HydrophobicContact CE1-CD1 4.11Å; F1098-L1142 HydrophobicContact CZ-CD1 3.96Å; I1138-L1142 HydrophobicContact CG2-CD1 4.21Å; I1138-L1142 WeakPolarHBondContact O-CG 3.27Å; I1138-L1142 PolarHBondContact O-N 3.15Å; F1139-L1142 PolarHBondContact O-N 2.71Å; H1140-L1142 PolarHBondContact O-N 2.85Å; L1142-F1144 PolarHBondContact O-N 3.07Å; L1142-I1145 PolarHBondContact O-N 3.22Å; L1142-F1146 WeakPolarHBondContact O-CG 3.25Å; L1142-F1146 PolarHBondContact O-N 2.95Å |
| 1143 | M | 85.4 | Confident | 79.2 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -63.1 | -34.6 | 178.3 | -66.3 | -58.1 | 108.9 | 0 | 0 | 111.5 | F1139 H1140 F1146 S1147 F1182 W1186 F1190 | F1139-M1143 HydrophobicContact CD1-CG 4.3Å; F1139-M1143 HydrophobicContact CD2-CG 4.49Å; F1139-M1143 HydrophobicContact CE1-CG 3.92Å; F1139-M1143 HydrophobicContact CE2-CE 4.11Å; F1139-M1143 HydrophobicContact CE2-CG 4.1Å; F1139-M1143 HydrophobicContact CE2-SD 4.32Å; F1139-M1143 HydrophobicContact CZ-CG 3.81Å; F1139-M1143 HydrophobicContact CZ-SD 4.23Å; F1139-M1143 WeakPolarHBondContact O-CG 3.11Å; F1139-M1143 PolarHBondContact O-N 2.88Å; H1140-M1143 PolarHBondContact O-N 3.4Å; M1143-F1146 HydrophobicContact CE-CD2 3.68Å; M1143-F1146 HydrophobicContact CE-CE2 3.69Å; M1143-F1146 PolarHBondContact O-N 3.45Å; M1143-F1146 HydrophobicContact SD-CD2 4.32Å; M1143-S1147 PolarHBondContact O-N 2.97Å; M1143-F1182 HydrophobicContact SD-CD2 4.08Å; M1143-F1182 HydrophobicContact SD-CE2 3.69Å; M1143-W1186 HydrophobicContact CB-CD2 3.39Å; M1143-W1186 HydrophobicContact CB-CE3 3.81Å; M1143-W1186 HydrophobicContact CB-CG 3.83Å; M1143-W1186 HydrophobicContact CB-CH2 4.04Å; M1143-W1186 HydrophobicContact CB-CZ2 3.61Å; M1143-W1186 HydrophobicContact CB-CZ3 4.11Å; M1143-W1186 HydrophobicContact CG-CD2 4.16Å; M1143-W1186 HydrophobicContact CG-CG 4.08Å; M1143-F1190 HydrophobicContact SD-CE2 4.26Å |
| 1144 | F | 81.9 | Confident | 79.2 | Confident | 56 Ų | 56 | 35.1 Ų | 35.1 | 25% | 0.246 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -63.2 | -47.8 | 173.2 | -172.1 | -112.9 | 0 | 0 | 0 | 112.2 | V1062 I1065 H1140 R1141 L1142 F1146 S1147 I1148 W1186 | V1062-F1144 HydrophobicContact CB-CZ 4.32Å; V1062-F1144 HydrophobicContact CG1-CZ 3.84Å; V1062-F1144 HydrophobicContact CG2-CE1 4.47Å; V1062-F1144 HydrophobicContact CG2-CZ 4.05Å; I1065-F1144 HydrophobicContact CB-CE1 4.42Å; I1065-F1144 HydrophobicContact CD1-CE1 4.34Å; I1065-F1144 HydrophobicContact CG2-CD1 4.37Å; I1065-F1144 HydrophobicContact CG2-CE1 4.2Å; H1140-F1144 VanDerWaalsContact O-CB 3.31Å; H1140-F1144 WeakPolarHBondContact O-CB 3.37Å; H1140-F1144 PolarHBondContact O-N 3.18Å; R1141-F1144 WeakPolarHBondContact O-CB 3.27Å; R1141-F1144 PolarHBondContact O-N 3.08Å; L1142-F1144 PolarHBondContact O-N 3.07Å; F1144-F1146 VanDerWaalsContact C-N 3.29Å; F1144-F1146 PolarHBondContact O-N 3.35Å; F1144-S1147 PolarHBondContact O-N 2.98Å; F1144-S1147 VanDerWaalsContact O-N 3.08Å; F1144-S1147 PolarHBondContact O-OG 2.97Å; F1144-I1148 HydrophobicContact CD1-CD1 3.82Å; F1144-I1148 HydrophobicContact CE1-CD1 3.38Å; F1144-I1148 HydrophobicContact CE1-CG1 4.28Å; F1144-I1148 HydrophobicContact CZ-CD1 3.77Å; F1144-I1148 HydrophobicContact CZ-CG1 4.25Å; F1144-I1148 PolarHBondContact O-N 3.25Å; F1144-I1148 VanDerWaalsContact O-N 3.1Å; F1144-W1186 HydrophobicContact CB-CH2 3.7Å; F1144-W1186 HydrophobicContact CB-CZ2 4.49Å; F1144-W1186 HydrophobicContact CB-CZ3 4.39Å; F1144-W1186 HydrophobicContact CD2-CH2 4.13Å; F1144-W1186 HydrophobicContact CD2-CZ3 4.49Å; F1144-W1186 HydrophobicContact CG-CH2 4.43Å; F1144-W1186 VanDerWaalsContact N-CH2 3.34Å |
| 1145 | I | 82.7 | Confident | 79.2 | Confident | 3 Ų | 3 | 36.3 Ų | 36.3 | 2% | 0.015 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -55.7 | -45.5 | 175.8 | -70.1 | 165.7 | 0 | 0 | 0 | 110.7 | I1043 L1047 I1069 F1084 R1141 L1142 S1147 I1148 V1149 | I1043-I1145 HydrophobicContact CD1-CD1 3.94Å; I1043-I1145 HydrophobicContact CG1-CD1 3.89Å; I1043-I1145 HydrophobicContact CG2-CD1 4.22Å; L1047-I1145 HydrophobicContact CD1-CG2 4.48Å; I1069-I1145 HydrophobicContact CD1-CB 4.09Å; I1069-I1145 HydrophobicContact CD1-CG1 4.11Å; I1069-I1145 HydrophobicContact CD1-CG2 3.77Å; I1069-I1145 HydrophobicContact CG1-CG2 4.47Å; F1084-I1145 HydrophobicContact CE1-CG2 3.8Å; F1084-I1145 HydrophobicContact CZ-CG2 4.28Å; R1141-I1145 VanDerWaalsContact O-CG1 3.3Å; R1141-I1145 WeakPolarHBondContact O-CG1 3.1Å; R1141-I1145 PolarHBondContact O-N 3.35Å; L1142-I1145 PolarHBondContact O-N 3.22Å; I1145-S1147 VanDerWaalsContact C-N 3.34Å; I1145-S1147 PolarHBondContact O-N 3.4Å; I1145-I1148 PolarHBondContact O-N 3.1Å; I1145-V1149 PolarHBondContact O-N 3.31Å |
| 1146 | F | 85.3 | Confident | 79.4 | Confident | 4 Ų | 4 | 35.7 Ų | 35.7 | 2% | 0.018 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -64.7 | -36.3 | 177.2 | -64 | -26.6 | 0 | 0 | 0 | 113.1 | F1084 I1087 F1088 L1142 M1143 F1144 I1148 V1149 I1163 F1190 | F1084-F1146 HydrophobicContact CD1-CD1 4.26Å; F1084-F1146 AromaticContact CD1-CE1 3.75Å; F1084-F1146 HydrophobicContact CD1-CE1 3.75Å; F1084-F1146 HydrophobicContact CE1-CD1 4.28Å; F1084-F1146 HydrophobicContact CE1-CE1 4.16Å; F1084-F1146 HydrophobicContact CG-CE1 4.39Å; I1087-F1146 HydrophobicContact CB-CZ 4.43Å; I1087-F1146 HydrophobicContact CG2-CE1 4.1Å; I1087-F1146 HydrophobicContact CG2-CE2 4.41Å; I1087-F1146 HydrophobicContact CG2-CZ 3.49Å; I1087-F1146 VanDerWaalsContact CG2-CZ 3.49Å; F1088-F1146 HydrophobicContact CD1-CE2 4.37Å; F1088-F1146 HydrophobicContact CD1-CZ 4.27Å; F1088-F1146 HydrophobicContact CD2-CE1 4.4Å; F1088-F1146 HydrophobicContact CD2-CZ 4.06Å; F1088-F1146 HydrophobicContact CE1-CD2 4.33Å; F1088-F1146 AromaticContact CE1-CE2 3.66Å; F1088-F1146 HydrophobicContact CE1-CE2 3.66Å; F1088-F1146 AromaticContact CE1-CZ 3.82Å; F1088-F1146 HydrophobicContact CE1-CZ 3.82Å; F1088-F1146 HydrophobicContact CE2-CD1 4.34Å; F1088-F1146 AromaticContact CE2-CE1 3.7Å; F1088-F1146 HydrophobicContact CE2-CE1 3.7Å; F1088-F1146 HydrophobicContact CE2-CE2 4.16Å; F1088-F1146 AromaticContact CE2-CZ 3.57Å; F1088-F1146 HydrophobicContact CE2-CZ 3.57Å; F1088-F1146 HydrophobicContact CG-CZ 4.37Å; F1088-F1146 HydrophobicContact CZ-CD1 4.25Å; F1088-F1146 AromaticContact CZ-CD2 3.97Å; F1088-F1146 HydrophobicContact CZ-CD2 3.97Å; F1088-F1146 AromaticContact CZ-CE1 3.84Å; F1088-F1146 HydrophobicContact CZ-CE1 3.84Å; F1088-F1146 AromaticContact CZ-CE2 3.53Å; F1088-F1146 HydrophobicContact CZ-CE2 3.53Å; F1088-F1146 HydrophobicContact CZ-CG 4.3Å; F1088-F1146 AromaticContact CZ-CZ 3.43Å; F1088-F1146 HydrophobicContact CZ-CZ 3.43Å; F1088-F1146 VanDerWaalsContact CZ-CZ 3.43Å; L1142-F1146 WeakPolarHBondContact O-CG 3.25Å; L1142-F1146 PolarHBondContact O-N 2.95Å; M1143-F1146 HydrophobicContact CE-CD2 3.68Å; M1143-F1146 HydrophobicContact CE-CE2 3.69Å; M1143-F1146 PolarHBondContact O-N 3.45Å; M1143-F1146 HydrophobicContact SD-CD2 4.32Å; F1144-F1146 VanDerWaalsContact C-N 3.29Å; F1144-F1146 PolarHBondContact O-N 3.35Å; F1146-I1148 VanDerWaalsContact C-N 3.32Å; F1146-I1148 PolarHBondContact O-N 2.7Å; F1146-V1149 PolarHBondContact O-N 3.13Å; F1146-I1163 HydrophobicContact CB-CG2 4.31Å; F1146-I1163 HydrophobicContact CD1-CD1 4.24Å; F1146-F1190 HydrophobicContact CB-CE1 4.03Å; F1146-F1190 HydrophobicContact CB-CZ 3.9Å |
| 1147 | S | 82.1 | Confident | 79.5 | Confident | 16 Ų | 16 | 34.8 Ų | 34.8 | 11% | 0.112 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -65.8 | -34 | 177.1 | 75.7 | 0 | 0 | 0 | 0 | 112.9 | M1143 F1144 I1145 V1149 L1150 | M1143-S1147 PolarHBondContact O-N 2.97Å; F1144-S1147 PolarHBondContact O-N 2.98Å; F1144-S1147 VanDerWaalsContact O-N 3.08Å; F1144-S1147 PolarHBondContact O-OG 2.97Å; I1145-S1147 VanDerWaalsContact C-N 3.34Å; I1145-S1147 PolarHBondContact O-N 3.4Å; S1147-V1149 VanDerWaalsContact C-N 3.33Å; S1147-V1149 PolarHBondContact O-N 3.35Å; S1147-L1150 PolarHBondContact O-N 3.39Å |
| 1148 | I | 81.2 | Confident | 79.7 | Confident | 8 Ų | 8 | 31.5 Ų | 31.5 | 4% | 0.041 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -66.5 | -35.4 | 178.1 | -71 | 168.9 | 0 | 0 | 0 | 111.6 | I1065 H1066 I1069 M1070 F1144 I1145 F1146 L1150 H1151 | I1065-I1148 HydrophobicContact CB-CD1 4.31Å; I1065-I1148 HydrophobicContact CG2-CD1 3.61Å; H1066-I1148 HydrophobicContact CB-CD1 4.46Å; I1069-I1148 HydrophobicContact CB-CG2 3.83Å; I1069-I1148 HydrophobicContact CD1-CB 3.85Å; I1069-I1148 HydrophobicContact CD1-CD1 3.76Å; I1069-I1148 HydrophobicContact CD1-CG1 4.4Å; I1069-I1148 HydrophobicContact CD1-CG2 3.82Å; I1069-I1148 HydrophobicContact CG1-CG2 4.43Å; I1069-I1148 HydrophobicContact CG2-CG2 3.85Å; M1070-I1148 HydrophobicContact CG-CG2 4.42Å; F1144-I1148 HydrophobicContact CD1-CD1 3.82Å; F1144-I1148 HydrophobicContact CE1-CD1 3.38Å; F1144-I1148 HydrophobicContact CE1-CG1 4.28Å; F1144-I1148 HydrophobicContact CZ-CD1 3.77Å; F1144-I1148 HydrophobicContact CZ-CG1 4.25Å; F1144-I1148 PolarHBondContact O-N 3.25Å; F1144-I1148 VanDerWaalsContact O-N 3.1Å; I1145-I1148 PolarHBondContact O-N 3.1Å; F1146-I1148 VanDerWaalsContact C-N 3.32Å; F1146-I1148 PolarHBondContact O-N 2.7Å; I1148-L1150 PolarHBondContact O-N 3.27Å; I1148-H1151 WeakPolarHBondContact O-CB 3.36Å; I1148-H1151 PolarHBondContact O-N 2.88Å |
| 1149 | V | 81.8 | Confident | 79.6 | Confident | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -64.9 | -24.7 | 178.9 | 179.6 | 0 | 0 | 0 | 0 | 111.7 | I1069 F1084 I1145 F1146 S1147 H1151 Q1154 V1160 I1163 | I1069-V1149 HydrophobicContact CG2-CG2 3.56Å; F1084-V1149 HydrophobicContact CE2-CG2 3.76Å; F1084-V1149 HydrophobicContact CZ-CG2 3.63Å; I1145-V1149 PolarHBondContact O-N 3.31Å; F1146-V1149 PolarHBondContact O-N 3.13Å; S1147-V1149 VanDerWaalsContact C-N 3.33Å; S1147-V1149 PolarHBondContact O-N 3.35Å; V1149-H1151 VanDerWaalsContact C-N 3.28Å; V1149-Q1154 WeakPolarHBondContact O-CG 3.29Å; V1149-V1160 HydrophobicContact CG1-CG2 4.5Å; V1149-V1160 WeakPolarHBondContact O-CG2 3.43Å; V1149-I1163 HydrophobicContact CB-CD1 3.43Å; V1149-I1163 VanDerWaalsContact CB-CD1 3.43Å; V1149-I1163 HydrophobicContact CG1-CD1 3.42Å; V1149-I1163 VanDerWaalsContact CG1-CD1 3.42Å; V1149-I1163 HydrophobicContact CG2-CD1 3.62Å |
| 1150 | L | 79.4 | Confident | 79.6 | Confident | 1 Ų | 1 | 30.9 Ų | 30.9 | 1% | 0.005 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | 8.8 | 175.3 | -58 | 171.6 | 0 | 0 | 0 | 112.8 | S1147 I1148 V1160 I1164 F1190 I1194 L1197 | S1147-L1150 PolarHBondContact O-N 3.39Å; I1148-L1150 PolarHBondContact O-N 3.27Å; L1150-V1160 HydrophobicContact CD2-CB 4.42Å; L1150-V1160 HydrophobicContact CD2-CG1 3.79Å; L1150-V1160 HydrophobicContact CD2-CG2 4.47Å; L1150-I1164 HydrophobicContact CD2-CD1 4.05Å; L1150-I1164 HydrophobicContact CD2-CG1 4.06Å; L1150-F1190 HydrophobicContact CD1-CD1 3.47Å; L1150-F1190 VanDerWaalsContact CD1-CD1 3.47Å; L1150-F1190 HydrophobicContact CD1-CE1 3.86Å; L1150-I1194 HydrophobicContact CD1-CG1 4.47Å; L1150-L1197 HydrophobicContact CB-CD1 4.3Å; L1150-L1197 HydrophobicContact CD2-CD1 4.29Å |
| 1151 | H | 80.2 | Confident | 79.6 | Confident | 64 Ų | 64 | 31.7 Ų | 31.7 | 30% | 0.296 | 17% | 0.168 | S | C | . | . | S | Bend | trans | -65.7 | 142.8 | 175.7 | -167.3 | -93.4 | 0 | 0 | 0 | 110.3 | H1066 I1148 V1149 D1153 Q1154 | H1066-H1151 AromaticContact CE1-ND1 3.86Å; H1066-H1151 AromaticContact NE2-CD2 3.52Å; H1066-H1151 AromaticContact NE2-CE1 3.6Å; H1066-H1151 AromaticContact NE2-CG 3.23Å; H1066-H1151 AromaticContact NE2-ND1 3.28Å; H1066-H1151 PolarHBondContact NE2-ND1 3.45Å; H1066-H1151 AromaticContact NE2-NE2 3.78Å; I1148-H1151 WeakPolarHBondContact O-CB 3.36Å; I1148-H1151 PolarHBondContact O-N 2.88Å; V1149-H1151 VanDerWaalsContact C-N 3.28Å; H1151-D1153 IonicContact CE1-OD2 2.8Å; H1151-D1153 PolarHBondContact CE1-OD2 2.91Å; H1151-D1153 VanDerWaalsContact CE1-OD2 3.22Å; H1151-D1153 PolarHBondContact ND1-N 3.01Å; H1151-D1153 IonicContact ND1-OD2 3.48Å; H1151-D1153 PolarHBondContact ND1-OD2 2.87Å; H1151-D1153 PolarHBondContact O-N 3.19Å; H1151-D1153 VanDerWaalsContact O-N 3.07Å; H1151-Q1154 WeakPolarHBondContact O-CB 3.46Å; H1151-Q1154 PolarHBondContact O-N 2.94Å; H1151-Q1154 VanDerWaalsContact O-N 3.1Å |
| 1152 | P | 69.9 | Low | 79.8 | Confident | 27 Ų | 27 | 29.8 Ų | 29.8 | 18% | 0.175 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | -29.5 | -179.7 | 20.1 | -34.6 | 0 | 0 | 0 | 113.6 | Q1154 K1202 | P1152-Q1154 PolarHBondContact O-N 3.4Å; P1152-Q1154 VanDerWaalsContact O-N 3.1Å; P1152-K1202 HydrophobicContact CB-CD 4.19Å; P1152-K1202 WeakPolarHBondContact O-CD 3.36Å; P1152-K1202 VanDerWaalsContact O-CE 3.28Å; P1152-K1202 WeakPolarHBondContact O-CE 3.43Å; P1152-K1202 PolarHBondContact O-NZ 3.47Å |
| 1153 | D | 74.2 | Confident | 79.9 | Confident | 95 Ų | 95 | 29.7 Ų | 29.7 | 51% | 0.508 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | -1.5 | -177.2 | -62.6 | -25.7 | 0 | 0 | 0 | 114.4 | M1070 H1151 V1155 K1202 | M1070-D1153 HydrophobicContact CE-CB 3.44Å; M1070-D1153 VanDerWaalsContact CE-CB 3.44Å; M1070-D1153 VanDerWaalsContact CE-O 3.29Å; M1070-D1153 WeakPolarHBondContact CE-O 3.35Å; H1151-D1153 IonicContact CE1-OD2 2.8Å; H1151-D1153 PolarHBondContact CE1-OD2 2.91Å; H1151-D1153 VanDerWaalsContact CE1-OD2 3.22Å; H1151-D1153 PolarHBondContact ND1-N 3.01Å; H1151-D1153 IonicContact ND1-OD2 3.48Å; H1151-D1153 PolarHBondContact ND1-OD2 2.87Å; H1151-D1153 PolarHBondContact O-N 3.19Å; H1151-D1153 VanDerWaalsContact O-N 3.07Å; D1153-V1155 PolarHBondContact O-N 3.16Å; D1153-K1202 IonicContact OD1-NZ 3.01Å; D1153-K1202 PolarHBondContact OD1-NZ 2.98Å |
| 1154 | Q | 74.6 | Confident | 79.8 | Confident | 6 Ų | 6 | 29.8 Ų | 29.8 | 3% | 0.028 | 16% | 0.162 | C | C | . | . | trans | -70 | 132.6 | -175.7 | -176.2 | 65.5 | -68.1 | 0 | 0 | 110.2 | M1070 C1073 V1149 H1151 P1152 V1160 H1203 | M1070-Q1154 VanDerWaalsContact CE-CA 3.47Å; M1070-Q1154 HydrophobicContact CE-CB 4.05Å; M1070-Q1154 HydrophobicContact SD-CB 4.17Å; C1073-Q1154 PolarHBondContact SG-NE2 3.12Å; V1149-Q1154 WeakPolarHBondContact O-CG 3.29Å; H1151-Q1154 WeakPolarHBondContact O-CB 3.46Å; H1151-Q1154 PolarHBondContact O-N 2.94Å; H1151-Q1154 VanDerWaalsContact O-N 3.1Å; P1152-Q1154 PolarHBondContact O-N 3.4Å; P1152-Q1154 VanDerWaalsContact O-N 3.1Å; Q1154-V1160 HydrophobicContact CG-CG2 4.07Å; Q1154-H1203 PolarHBondContact O-CE1 3.3Å; Q1154-H1203 PolarHBondContact O-NE2 2.89Å; Q1154-H1203 VanDerWaalsContact O-NE2 3.08Å | ||
| 1155 | V | 72.3 | Confident | 79.9 | Confident | 113 Ų | 113 | 31.5 Ų | 31.5 | 69% | 0.685 | 17% | 0.17 | S | C | * | . | trans | -94.6 | -30 | -180 | -174.1 | 0 | 0 | 0 | 0 | 111.1 | V1074 D1153 S1157 H1203 | V1074-V1155 HydrophobicContact CG2-CB 4.3Å; V1074-V1155 HydrophobicContact CG2-CG2 4.31Å; D1153-V1155 PolarHBondContact O-N 3.16Å; V1155-S1157 PolarHBondContact O-N 3.29Å; V1155-H1203 PolarHBondContact O-CE1 2.79Å | ||
| 1156 | N | 78.4 | Confident | 80 | Confident | 35 Ų | 35 | 34 Ų | 34 | 19% | 0.187 | 18% | 0.181 | C | C | . | . | trans | -87.3 | 99 | -172.9 | -168.9 | -13.7 | 0 | 0 | 0 | 113.4 | C1073 G1077 S1158 S1159 | C1073-N1156 PolarHBondContact O-ND2 3.4Å; G1077-N1156 WeakPolarHBondContact CA-ND2 3.45Å; N1156-S1158 VanDerWaalsContact C-N 3.27Å; N1156-S1158 PolarHBondContact O-N 3.17Å; N1156-S1158 PolarHBondContact OD1-N 2.78Å; N1156-S1158 VanDerWaalsContact OD1-N 3.15Å; N1156-S1158 PolarHBondContact OD1-OG 3.14Å; N1156-S1159 PolarHBondContact ND2-OG 2.83Å; N1156-S1159 PolarHBondContact O-N 3.38Å | ||
| 1157 | S | 78.7 | Confident | 79.9 | Confident | 34 Ų | 34 | 33.8 Ų | 33.8 | 24% | 0.238 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -64.1 | -27.8 | 179.5 | 61.5 | 0 | 0 | 0 | 0 | 114.1 | V1155 S1159 V1160 K1161 H1203 S1205 | V1155-S1157 PolarHBondContact O-N 3.29Å; S1157-S1159 PolarHBondContact O-N 3.28Å; S1157-V1160 PolarHBondContact O-N 3.3Å; S1157-K1161 PolarHBondContact O-N 3.38Å; S1157-H1203 WeakPolarHBondContact CA-ND1 3.37Å; S1157-H1203 WeakPolarHBondContact CB-ND1 2.96Å; S1157-H1203 PolarHBondContact N-ND1 3.09Å; S1157-S1205 WeakPolarHBondContact CB-OG 3.2Å; S1157-S1205 PolarHBondContact OG-OG 3.03Å |
| 1158 | S | 80.4 | Confident | 79.9 | Confident | 47 Ų | 47 | 34.1 Ų | 34.1 | 33% | 0.329 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -69.2 | -33.7 | -177.9 | 72 | 0 | 0 | 0 | 0 | 112.3 | Q1081 N1156 F1162 | Q1081-S1158 VanDerWaalsContact NE2-CB 3.29Å; Q1081-S1158 PolarHBondContact NE2-O 3.31Å; Q1081-S1158 PolarHBondContact NE2-OG 3.2Å; N1156-S1158 VanDerWaalsContact C-N 3.27Å; N1156-S1158 PolarHBondContact O-N 3.17Å; N1156-S1158 PolarHBondContact OD1-N 2.78Å; N1156-S1158 VanDerWaalsContact OD1-N 3.15Å; N1156-S1158 PolarHBondContact OD1-OG 3.14Å; S1158-F1162 WeakPolarHBondContact O-CB 3.47Å; S1158-F1162 PolarHBondContact O-N 2.8Å |
| 1159 | S | 77.6 | Confident | 79.8 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -71.3 | -40.5 | 177.1 | -64 | 0 | 0 | 0 | 0 | 111.7 | N1156 S1157 F1162 I1163 | N1156-S1159 PolarHBondContact ND2-OG 2.83Å; N1156-S1159 PolarHBondContact O-N 3.38Å; S1157-S1159 PolarHBondContact O-N 3.28Å; S1159-F1162 PolarHBondContact O-N 2.97Å; S1159-I1163 PolarHBondContact O-N 3.32Å; S1159-I1163 VanDerWaalsContact O-N 3.11Å |
| 1160 | V | 81.7 | Confident | 79.6 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -59.5 | -51.2 | 174.6 | 169.5 | 0 | 0 | 0 | 0 | 110.7 | V1149 L1150 Q1154 S1157 F1162 I1163 I1164 L1197 L1210 | V1149-V1160 HydrophobicContact CG1-CG2 4.5Å; V1149-V1160 WeakPolarHBondContact O-CG2 3.43Å; L1150-V1160 HydrophobicContact CD2-CB 4.42Å; L1150-V1160 HydrophobicContact CD2-CG1 3.79Å; L1150-V1160 HydrophobicContact CD2-CG2 4.47Å; Q1154-V1160 HydrophobicContact CG-CG2 4.07Å; S1157-V1160 PolarHBondContact O-N 3.3Å; V1160-F1162 VanDerWaalsContact C-N 3.34Å; V1160-F1162 PolarHBondContact O-N 3.39Å; V1160-I1163 PolarHBondContact O-N 3.12Å; V1160-I1164 HydrophobicContact CG1-CD1 3.94Å; V1160-I1164 WeakPolarHBondContact O-CG1 3.04Å; V1160-I1164 PolarHBondContact O-N 3.44Å; V1160-L1197 HydrophobicContact CG1-CD1 4.12Å; V1160-L1210 HydrophobicContact CG1-CD2 4.13Å |
| 1161 | K | 82.8 | Confident | 79.6 | Confident | 84 Ų | 84 | 40.5 Ų | 40.5 | 37% | 0.365 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -55.2 | -49.1 | 176.4 | 176.2 | 175.5 | 171.8 | 167.6 | 0 | 111.8 | S1157 I1163 I1164 E1165 C1206 I1209 | S1157-K1161 PolarHBondContact O-N 3.38Å; K1161-I1163 PolarHBondContact O-N 3.27Å; K1161-I1164 PolarHBondContact O-N 3.27Å; K1161-E1165 WeakPolarHBondContact CE-OE1 3.47Å; K1161-E1165 IonicContact NZ-OE1 3.45Å; K1161-E1165 WeakPolarHBondContact O-CG 3.44Å; K1161-E1165 PolarHBondContact O-N 2.82Å; K1161-C1206 HydrophobicContact CB-CB 4.26Å; K1161-I1209 HydrophobicContact CD-CD1 3.48Å; K1161-I1209 VanDerWaalsContact CD-CD1 3.48Å; K1161-I1209 HydrophobicContact CG-CD1 3.64Å |
| 1162 | F | 83.4 | Confident | 79.4 | Confident | 31 Ų | 31 | 42.4 Ų | 42.4 | 14% | 0.136 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -59.8 | -45.5 | -177.3 | -178.9 | -95.7 | 0 | 0 | 0 | 113.2 | Q1081 F1084 E1085 F1088 S1158 S1159 V1160 I1164 K1166 | Q1081-F1162 HydrophobicContact CG-CB 4.42Å; Q1081-F1162 HydrophobicContact CG-CG 4.35Å; Q1081-F1162 WeakPolarHBondContact O-CE1 3.42Å; F1084-F1162 HydrophobicContact CB-CD1 4.25Å; F1084-F1162 HydrophobicContact CB-CE1 3.81Å; E1085-F1162 HydrophobicContact CB-CE1 4.45Å; E1085-F1162 HydrophobicContact CB-CZ 3.76Å; E1085-F1162 HydrophobicContact CG-CZ 4.36Å; F1088-F1162 HydrophobicContact CD2-CE1 4.27Å; S1158-F1162 WeakPolarHBondContact O-CB 3.47Å; S1158-F1162 PolarHBondContact O-N 2.8Å; S1159-F1162 PolarHBondContact O-N 2.97Å; V1160-F1162 VanDerWaalsContact C-N 3.34Å; V1160-F1162 PolarHBondContact O-N 3.39Å; F1162-I1164 PolarHBondContact O-N 3.33Å; F1162-K1166 HydrophobicContact CD1-CG 4.33Å; F1162-K1166 HydrophobicContact CE1-CG 3.94Å; F1162-K1166 HydrophobicContact CE2-CD 4.49Å; F1162-K1166 VanDerWaalsContact CE2-CE 3.42Å; F1162-K1166 HydrophobicContact CE2-CG 4.21Å; F1162-K1166 HydrophobicContact CZ-CD 4.25Å; F1162-K1166 HydrophobicContact CZ-CG 3.88Å; F1162-K1166 WeakPolarHBondContact O-CB 3.47Å; F1162-K1166 WeakPolarHBondContact O-CG 3.31Å; F1162-K1166 PolarHBondContact O-N 3.48Å |
| 1163 | I | 84.6 | Confident | 79.6 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -64.5 | -41.8 | 179.8 | -71.2 | -179.6 | 0 | 0 | 0 | 111.4 | F1084 F1088 F1146 V1149 S1159 V1160 K1161 K1166 L1167 | F1084-I1163 HydrophobicContact CD2-CD1 4.02Å; F1084-I1163 HydrophobicContact CD2-CG1 4.22Å; F1084-I1163 HydrophobicContact CE2-CD1 3.87Å; F1084-I1163 HydrophobicContact CZ-CD1 4.39Å; F1088-I1163 HydrophobicContact CE2-CG1 4.21Å; F1088-I1163 HydrophobicContact CZ-CG2 4.23Å; F1146-I1163 HydrophobicContact CB-CG2 4.31Å; F1146-I1163 HydrophobicContact CD1-CD1 4.24Å; V1149-I1163 HydrophobicContact CB-CD1 3.43Å; V1149-I1163 VanDerWaalsContact CB-CD1 3.43Å; V1149-I1163 HydrophobicContact CG1-CD1 3.42Å; V1149-I1163 VanDerWaalsContact CG1-CD1 3.42Å; V1149-I1163 HydrophobicContact CG2-CD1 3.62Å; S1159-I1163 PolarHBondContact O-N 3.32Å; S1159-I1163 VanDerWaalsContact O-N 3.11Å; V1160-I1163 PolarHBondContact O-N 3.12Å; K1161-I1163 PolarHBondContact O-N 3.27Å; I1163-K1166 PolarHBondContact O-N 3.38Å; I1163-L1167 HydrophobicContact CG2-CD1 3.91Å; I1163-L1167 HydrophobicContact CG2-CG 4.37Å; I1163-L1167 WeakPolarHBondContact O-CB 3.44Å; I1163-L1167 WeakPolarHBondContact O-CG 3.31Å; I1163-L1167 PolarHBondContact O-N 3.17Å |
| 1164 | I | 82.8 | Confident | 79.6 | Confident | 2 Ų | 2 | 42.3 Ų | 42.3 | 1% | 0.01 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -63.8 | -49.3 | 179.9 | -68.1 | 170.5 | 0 | 0 | 0 | 110.5 | L1150 V1160 K1161 F1162 K1166 L1167 V1168 I1194 I1209 L1210 | L1150-I1164 HydrophobicContact CD2-CD1 4.05Å; L1150-I1164 HydrophobicContact CD2-CG1 4.06Å; V1160-I1164 HydrophobicContact CG1-CD1 3.94Å; V1160-I1164 WeakPolarHBondContact O-CG1 3.04Å; V1160-I1164 PolarHBondContact O-N 3.44Å; K1161-I1164 PolarHBondContact O-N 3.27Å; F1162-I1164 PolarHBondContact O-N 3.33Å; I1164-K1166 VanDerWaalsContact C-N 3.33Å; I1164-K1166 PolarHBondContact O-N 2.99Å; I1164-L1167 PolarHBondContact O-N 2.83Å; I1164-V1168 WeakPolarHBondContact O-CG2 3.33Å; I1164-V1168 PolarHBondContact O-N 2.94Å; I1164-I1194 HydrophobicContact CD1-CG1 4.41Å; I1164-I1209 HydrophobicContact CG2-CG2 4.06Å; I1164-L1210 HydrophobicContact CD1-CD2 3.34Å; I1164-L1210 HydrophobicContact CD1-CG 4.33Å |
| 1165 | E | 84.8 | Confident | 79.7 | Confident | 92 Ų | 92 | 47.3 Ų | 47.3 | 43% | 0.43 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -59.4 | -43 | 178.1 | -73.2 | 177.8 | 172.1 | 0 | 0 | 111.7 | K1161 V1168 H1169 I1209 | K1161-E1165 WeakPolarHBondContact CE-OE1 3.47Å; K1161-E1165 IonicContact NZ-OE1 3.45Å; K1161-E1165 WeakPolarHBondContact O-CG 3.44Å; K1161-E1165 PolarHBondContact O-N 2.82Å; E1165-V1168 PolarHBondContact O-N 3.46Å; E1165-H1169 WeakPolarHBondContact O-CB 3.44Å; E1165-H1169 PolarHBondContact O-N 2.92Å; E1165-I1209 HydrophobicContact CG-CG2 4.41Å |
| 1166 | K | 83.2 | Confident | 79.9 | Confident | 54 Ų | 54 | 42 Ų | 42 | 24% | 0.235 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -69.2 | -36 | 177.9 | -68.1 | -69.9 | -171.4 | 174.4 | 0 | 112.7 | E1085 F1088 F1162 I1163 I1164 H1169 L1170 | E1085-K1166 IonicContact OE1-NZ 2.7Å; E1085-K1166 PolarHBondContact OE1-NZ 3.18Å; F1088-K1166 HydrophobicContact CB-CB 4.41Å; F1088-K1166 HydrophobicContact CD1-CB 3.75Å; F1088-K1166 HydrophobicContact CD2-CB 3.72Å; F1088-K1166 HydrophobicContact CD2-CG 4.02Å; F1088-K1166 HydrophobicContact CE1-CB 3.88Å; F1088-K1166 HydrophobicContact CE2-CB 3.86Å; F1088-K1166 HydrophobicContact CE2-CG 4.44Å; F1088-K1166 HydrophobicContact CG-CB 3.71Å; F1088-K1166 HydrophobicContact CG-CG 4.2Å; F1088-K1166 HydrophobicContact CZ-CB 3.94Å; F1162-K1166 HydrophobicContact CD1-CG 4.33Å; F1162-K1166 HydrophobicContact CE1-CG 3.94Å; F1162-K1166 HydrophobicContact CE2-CD 4.49Å; F1162-K1166 VanDerWaalsContact CE2-CE 3.42Å; F1162-K1166 HydrophobicContact CE2-CG 4.21Å; F1162-K1166 HydrophobicContact CZ-CD 4.25Å; F1162-K1166 HydrophobicContact CZ-CG 3.88Å; F1162-K1166 WeakPolarHBondContact O-CB 3.47Å; F1162-K1166 WeakPolarHBondContact O-CG 3.31Å; F1162-K1166 PolarHBondContact O-N 3.48Å; I1163-K1166 PolarHBondContact O-N 3.38Å; I1164-K1166 VanDerWaalsContact C-N 3.33Å; I1164-K1166 PolarHBondContact O-N 2.99Å; K1166-H1169 PolarHBondContact O-N 3.39Å; K1166-L1170 WeakPolarHBondContact O-CB 3.32Å; K1166-L1170 WeakPolarHBondContact O-CG 3.49Å; K1166-L1170 PolarHBondContact O-N 3.42Å |
| 1167 | L | 83.3 | Confident | 79.8 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -65.1 | -43.1 | 173.4 | -79.4 | 172.7 | 0 | 0 | 0 | 111.8 | F1088 I1163 I1164 H1169 L1170 N1171 L1176 F1190 F1217 | F1088-L1167 HydrophobicContact CE1-CD2 4.06Å; F1088-L1167 HydrophobicContact CE1-CG 4.15Å; F1088-L1167 HydrophobicContact CZ-CD2 4.49Å; F1088-L1167 HydrophobicContact CZ-CG 4.24Å; I1163-L1167 HydrophobicContact CG2-CD1 3.91Å; I1163-L1167 HydrophobicContact CG2-CG 4.37Å; I1163-L1167 WeakPolarHBondContact O-CB 3.44Å; I1163-L1167 WeakPolarHBondContact O-CG 3.31Å; I1163-L1167 PolarHBondContact O-N 3.17Å; I1164-L1167 PolarHBondContact O-N 2.83Å; L1167-H1169 VanDerWaalsContact C-N 3.34Å; L1167-L1170 PolarHBondContact O-N 3.13Å; L1167-N1171 PolarHBondContact O-N 2.96Å; L1167-L1176 HydrophobicContact CD2-CD2 4.2Å; L1167-F1190 HydrophobicContact CD1-CD1 4.14Å; L1167-F1190 HydrophobicContact CD1-CE1 3.98Å; L1167-F1190 HydrophobicContact CD1-CZ 4.25Å; L1167-F1217 HydrophobicContact CD1-CZ 4.41Å |
| 1168 | V | 81.6 | Confident | 79.4 | Confident | 24 Ų | 24 | 41.1 Ų | 41.1 | 15% | 0.145 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -62.6 | -43.6 | 174.6 | 174.2 | 0 | 0 | 0 | 0 | 110.1 | I1164 E1165 L1170 N1171 T1172 Y1216 | I1164-V1168 WeakPolarHBondContact O-CG2 3.33Å; I1164-V1168 PolarHBondContact O-N 2.94Å; E1165-V1168 PolarHBondContact O-N 3.46Å; V1168-L1170 PolarHBondContact O-N 3.01Å; V1168-N1171 WeakPolarHBondContact O-CA 3.34Å; V1168-N1171 WeakPolarHBondContact O-CB 3.43Å; V1168-N1171 PolarHBondContact O-N 3.41Å; V1168-N1171 VanDerWaalsContact O-N 3.09Å; V1168-T1172 WeakPolarHBondContact O-CG2 3.14Å; V1168-T1172 PolarHBondContact O-N 2.9Å; V1168-Y1216 HydrophobicContact CG1-CD2 4.01Å; V1168-Y1216 HydrophobicContact CG1-CE2 4.25Å; V1168-Y1216 HydrophobicContact CG1-CG 4.24Å; V1168-Y1216 HydrophobicContact CG2-CD2 4.12Å |
| 1169 | H | 79.4 | Confident | 79.1 | Confident | 110 Ų | 110 | 39.5 Ų | 39.5 | 51% | 0.509 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -63.4 | -37 | 175 | -175.5 | -75.6 | 0 | 0 | 0 | 113.2 | E1165 K1166 L1167 N1171 T1172 S1173 | E1165-H1169 WeakPolarHBondContact O-CB 3.44Å; E1165-H1169 PolarHBondContact O-N 2.92Å; K1166-H1169 PolarHBondContact O-N 3.39Å; L1167-H1169 VanDerWaalsContact C-N 3.34Å; H1169-N1171 VanDerWaalsContact C-N 3.27Å; H1169-N1171 PolarHBondContact O-N 3.05Å; H1169-T1172 WeakPolarHBondContact CA-OG1 3.34Å; H1169-T1172 PolarHBondContact O-N 3.46Å; H1169-T1172 PolarHBondContact O-OG1 3.43Å; H1169-S1173 PolarHBondContact O-N 3.47Å; H1169-S1173 PolarHBondContact O-OG 2.98Å |
| 1170 | L | 78.2 | Confident | 78.8 | Confident | 4 Ų | 4 | 43.9 Ų | 43.9 | 2% | 0.021 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -64.7 | -34.8 | 172.1 | -80 | -177.2 | 0 | 0 | 0 | 111.9 | F1088 F1091 K1166 L1167 V1168 S1173 H1174 | F1088-L1170 HydrophobicContact CD1-CD1 3.51Å; F1088-L1170 HydrophobicContact CD1-CG 4.17Å; F1088-L1170 HydrophobicContact CE1-CD1 3.78Å; F1091-L1170 HydrophobicContact CD1-CD1 3.37Å; F1091-L1170 HydrophobicContact CD1-CD2 3.68Å; F1091-L1170 HydrophobicContact CD1-CG 4.16Å; F1091-L1170 HydrophobicContact CE1-CD1 3.77Å; F1091-L1170 HydrophobicContact CE1-CD2 4.23Å; F1091-L1170 HydrophobicContact CG-CD1 4.3Å; K1166-L1170 WeakPolarHBondContact O-CB 3.32Å; K1166-L1170 WeakPolarHBondContact O-CG 3.49Å; K1166-L1170 PolarHBondContact O-N 3.42Å; L1167-L1170 PolarHBondContact O-N 3.13Å; V1168-L1170 PolarHBondContact O-N 3.01Å; L1170-S1173 WeakPolarHBondContact CA-OG 3.5Å; L1170-S1173 PolarHBondContact O-OG 3.36Å; L1170-H1174 PolarHBondContact O-N 3.08Å |
| 1171 | N | 80.1 | Confident | 78.3 | Confident | 29 Ų | 29 | 46.2 Ų | 46.2 | 16% | 0.155 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -69.5 | -39.2 | 174.4 | -168.4 | 50.4 | 0 | 0 | 0 | 112.3 | L1167 V1168 H1169 S1173 K1175 L1176 F1177 | L1167-N1171 PolarHBondContact O-N 2.96Å; V1168-N1171 WeakPolarHBondContact O-CA 3.34Å; V1168-N1171 WeakPolarHBondContact O-CB 3.43Å; V1168-N1171 PolarHBondContact O-N 3.41Å; V1168-N1171 VanDerWaalsContact O-N 3.09Å; H1169-N1171 VanDerWaalsContact C-N 3.27Å; H1169-N1171 PolarHBondContact O-N 3.05Å; N1171-S1173 VanDerWaalsContact C-N 3.32Å; N1171-S1173 PolarHBondContact O-N 3.39Å; N1171-K1175 WeakPolarHBondContact O-CA 3.41Å; N1171-K1175 PolarHBondContact O-N 2.89Å; N1171-K1175 WeakPolarHBondContact OD1-CA 3.08Å; N1171-L1176 PolarHBondContact OD1-N 3.26Å; N1171-F1177 HydrophobicContact CB-CD1 4.04Å; N1171-F1177 HydrophobicContact CB-CD2 3.75Å; N1171-F1177 HydrophobicContact CB-CE1 3.91Å; N1171-F1177 HydrophobicContact CB-CE2 3.6Å; N1171-F1177 HydrophobicContact CB-CG 3.95Å; N1171-F1177 HydrophobicContact CB-CZ 3.67Å; N1171-F1177 VanDerWaalsContact CG-CG 3.42Å; N1171-F1177 WeakPolarHBondContact ND2-CD2 3.21Å; N1171-F1177 WeakPolarHBondContact OD1-CB 3.45Å; N1171-F1177 WeakPolarHBondContact OD1-CG 3.28Å; N1171-F1177 PolarHBondContact OD1-N 3.22Å |
| 1172 | T | 75.9 | Confident | 78 | Confident | 103 Ų | 103 | 42.2 Ų | 42.2 | 63% | 0.632 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -66.3 | -35.5 | 176.8 | 59.5 | 0 | 0 | 0 | 0 | 112.4 | V1168 H1169 | V1168-T1172 WeakPolarHBondContact O-CG2 3.14Å; V1168-T1172 PolarHBondContact O-N 2.9Å; H1169-T1172 WeakPolarHBondContact CA-OG1 3.34Å; H1169-T1172 PolarHBondContact O-N 3.46Å; H1169-T1172 PolarHBondContact O-OG1 3.43Å |
| 1173 | S | 73.3 | Confident | 77.6 | Confident | 54 Ų | 54 | 41.3 Ų | 41.3 | 38% | 0.378 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -80.4 | -48.4 | -179.7 | 50.5 | 0 | 0 | 0 | 0 | 113.8 | H1169 L1170 N1171 | H1169-S1173 PolarHBondContact O-N 3.47Å; H1169-S1173 PolarHBondContact O-OG 2.98Å; L1170-S1173 WeakPolarHBondContact CA-OG 3.5Å; L1170-S1173 PolarHBondContact O-OG 3.36Å; N1171-S1173 VanDerWaalsContact C-N 3.32Å; N1171-S1173 PolarHBondContact O-N 3.39Å |
| 1174 | H | 74.6 | Confident | 77.1 | Confident | 66 Ų | 66 | 47.1 Ų | 47.1 | 31% | 0.306 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -118.8 | 1.4 | -170.8 | -67.8 | -67.2 | 0 | 0 | 0 | 114.8 | S1092 F1095 L1170 L1176 | S1092-H1174 PolarHBondContact O-NE2 3.27Å; F1095-H1174 HydrophobicContact CD2-CB 4.15Å; F1095-H1174 AromaticContact CD2-CG 4Å; F1095-H1174 HydrophobicContact CE2-CB 4.03Å; F1095-H1174 HydrophobicContact CZ-CB 4.37Å; L1170-H1174 PolarHBondContact O-N 3.08Å; H1174-L1176 VanDerWaalsContact C-N 3.26Å; H1174-L1176 PolarHBondContact O-N 3.26Å |
| 1175 | K | 76 | Confident | 76.8 | Confident | 112 Ų | 112 | 49.8 Ų | 49.8 | 49% | 0.487 | 25% | 0.248 | S | C | . | . | trans | 52.5 | 45.1 | -173.7 | -59.8 | -174.3 | 172.3 | -163.1 | 0 | 112.5 | N1171 F1177 D1178 | N1171-K1175 WeakPolarHBondContact O-CA 3.41Å; N1171-K1175 PolarHBondContact O-N 2.89Å; N1171-K1175 WeakPolarHBondContact OD1-CA 3.08Å; K1175-F1177 PolarHBondContact O-N 3.32Å; K1175-F1177 VanDerWaalsContact O-N 3.14Å; K1175-D1178 HydrophobicContact CB-CB 4.22Å; K1175-D1178 WeakPolarHBondContact O-CB 3Å; K1175-D1178 PolarHBondContact O-N 2.92Å | ||
| 1176 | L | 77.5 | Confident | 76.7 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 23% | 0.232 | C | C | . | . | G | 310 helix | trans | -47.5 | -42.4 | -179.7 | -173 | 95.7 | 0 | 0 | 0 | 112.4 | F1091 L1167 N1171 H1174 D1178 L1179 F1182 | F1091-L1176 HydrophobicContact CE1-CD1 3.33Å; F1091-L1176 HydrophobicContact CZ-CD1 3.32Å; L1167-L1176 HydrophobicContact CD2-CD2 4.2Å; N1171-L1176 PolarHBondContact OD1-N 3.26Å; H1174-L1176 VanDerWaalsContact C-N 3.26Å; H1174-L1176 PolarHBondContact O-N 3.26Å; L1176-D1178 PolarHBondContact O-N 2.97Å; L1176-L1179 HydrophobicContact CD1-CD1 4.31Å; L1176-L1179 WeakPolarHBondContact O-CB 3.44Å; L1176-L1179 WeakPolarHBondContact O-CG 3.13Å; L1176-L1179 PolarHBondContact O-N 2.98Å; L1176-L1179 VanDerWaalsContact O-N 3.15Å; L1176-F1182 HydrophobicContact CD2-CD1 4.26Å; L1176-F1182 HydrophobicContact CD2-CD2 3.66Å; L1176-F1182 HydrophobicContact CD2-CE1 4.06Å; L1176-F1182 HydrophobicContact CD2-CE2 3.42Å; L1176-F1182 VanDerWaalsContact CD2-CE2 3.42Å; L1176-F1182 HydrophobicContact CD2-CG 4.07Å; L1176-F1182 HydrophobicContact CD2-CZ 3.63Å; L1176-F1182 HydrophobicContact CG-CD1 4.47Å; L1176-F1182 HydrophobicContact CG-CD2 4.04Å; L1176-F1182 HydrophobicContact CG-CE2 4.3Å; L1176-F1182 HydrophobicContact CG-CG 4.12Å |
| 1177 | F | 76.3 | Confident | 76.7 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 22% | 0.221 | C | C | . | . | G | 310 helix | trans | -71.8 | -20.8 | -173.6 | -53.2 | -16 | 0 | 0 | 0 | 112.6 | N1171 K1175 L1179 F1182 N1183 L1187 F1217 S1220 | N1171-F1177 HydrophobicContact CB-CD1 4.04Å; N1171-F1177 HydrophobicContact CB-CD2 3.75Å; N1171-F1177 HydrophobicContact CB-CE1 3.91Å; N1171-F1177 HydrophobicContact CB-CE2 3.6Å; N1171-F1177 HydrophobicContact CB-CG 3.95Å; N1171-F1177 HydrophobicContact CB-CZ 3.67Å; N1171-F1177 VanDerWaalsContact CG-CG 3.42Å; N1171-F1177 WeakPolarHBondContact ND2-CD2 3.21Å; N1171-F1177 WeakPolarHBondContact OD1-CB 3.45Å; N1171-F1177 WeakPolarHBondContact OD1-CG 3.28Å; N1171-F1177 PolarHBondContact OD1-N 3.22Å; K1175-F1177 PolarHBondContact O-N 3.32Å; K1175-F1177 VanDerWaalsContact O-N 3.14Å; F1177-L1179 VanDerWaalsContact C-N 3.31Å; F1177-F1182 AromaticContact CD1-CD1 3.94Å; F1177-F1182 HydrophobicContact CD1-CD1 3.94Å; F1177-F1182 AromaticContact CD1-CE1 3.34Å; F1177-F1182 HydrophobicContact CD1-CE1 3.34Å; F1177-F1182 AromaticContact CD1-CZ 3.95Å; F1177-F1182 HydrophobicContact CD1-CZ 3.95Å; F1177-F1182 AromaticContact CE1-CE1 3.87Å; F1177-F1182 HydrophobicContact CE1-CE1 3.87Å; F1177-F1182 HydrophobicContact CE1-CZ 4.03Å; F1177-F1182 HydrophobicContact CG-CE1 4.23Å; F1177-N1183 WeakPolarHBondContact O-CB 3.45Å; F1177-N1183 PolarHBondContact O-ND2 2.95Å; F1177-L1187 HydrophobicContact CB-CD1 4.46Å; F1177-L1187 HydrophobicContact CG-CD1 4.4Å; F1177-F1217 HydrophobicContact CD1-CD1 4.48Å; F1177-F1217 HydrophobicContact CD1-CE1 4.35Å; F1177-F1217 HydrophobicContact CD2-CD1 4.04Å; F1177-F1217 HydrophobicContact CD2-CE1 4.46Å; F1177-F1217 HydrophobicContact CE1-CD1 4.08Å; F1177-F1217 AromaticContact CE1-CE1 3.58Å; F1177-F1217 HydrophobicContact CE1-CE1 3.58Å; F1177-F1217 HydrophobicContact CE1-CZ 4.49Å; F1177-F1217 AromaticContact CE2-CD1 3.59Å; F1177-F1217 HydrophobicContact CE2-CD1 3.59Å; F1177-F1217 AromaticContact CE2-CE1 3.71Å; F1177-F1217 HydrophobicContact CE2-CE1 3.71Å; F1177-F1217 HydrophobicContact CE2-CG 4.34Å; F1177-F1217 HydrophobicContact CE2-CZ 4.47Å; F1177-F1217 HydrophobicContact CG-CD1 4.5Å; F1177-F1217 AromaticContact CZ-CD1 3.62Å; F1177-F1217 HydrophobicContact CZ-CD1 3.62Å; F1177-F1217 AromaticContact CZ-CE1 3.21Å; F1177-F1217 HydrophobicContact CZ-CE1 3.21Å; F1177-F1217 AromaticContact CZ-CZ 3.9Å; F1177-F1217 HydrophobicContact CZ-CZ 3.9Å; F1177-S1220 WeakPolarHBondContact CB-OG 3.16Å |
| 1178 | D | 70.4 | Confident | 76.6 | Confident | 51 Ų | 51 | 46 Ų | 46 | 27% | 0.273 | 24% | 0.235 | S | C | . | . | G | 310 helix | trans | -82.9 | -8 | 176.6 | -63.1 | -14 | 0 | 0 | 0 | 112.3 | M1128 K1175 L1176 | M1128-D1178 WeakPolarHBondContact CE-O 3.5Å; K1175-D1178 HydrophobicContact CB-CB 4.22Å; K1175-D1178 WeakPolarHBondContact O-CB 3Å; K1175-D1178 PolarHBondContact O-N 2.92Å; L1176-D1178 PolarHBondContact O-N 2.97Å |
| 1179 | L | 73.7 | Confident | 76.7 | Confident | 14 Ų | 14 | 47.3 Ų | 47.3 | 7% | 0.073 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -73.8 | 132.6 | 178.2 | -60.1 | 168 | 0 | 0 | 0 | 110.1 | F1095 F1099 Y1131 L1176 F1177 D1181 F1182 N1183 | F1095-L1179 HydrophobicContact CE2-CD1 4.06Å; F1095-L1179 HydrophobicContact CZ-CD1 3.57Å; F1095-L1179 HydrophobicContact CZ-CD2 4.41Å; F1099-L1179 HydrophobicContact CD1-CD1 4.43Å; F1099-L1179 HydrophobicContact CD2-CD1 4.39Å; F1099-L1179 HydrophobicContact CE1-CD1 4Å; F1099-L1179 HydrophobicContact CE2-CD1 3.98Å; F1099-L1179 HydrophobicContact CZ-CD1 3.76Å; Y1131-L1179 HydrophobicContact CD2-CD2 4.12Å; Y1131-L1179 HydrophobicContact CG-CD2 4.44Å; L1176-L1179 HydrophobicContact CD1-CD1 4.31Å; L1176-L1179 WeakPolarHBondContact O-CB 3.44Å; L1176-L1179 WeakPolarHBondContact O-CG 3.13Å; L1176-L1179 PolarHBondContact O-N 2.98Å; L1176-L1179 VanDerWaalsContact O-N 3.15Å; F1177-L1179 VanDerWaalsContact C-N 3.31Å; L1179-D1181 VanDerWaalsContact C-N 3.32Å; L1179-D1181 PolarHBondContact O-N 3.42Å; L1179-F1182 HydrophobicContact CB-CB 4.4Å; L1179-F1182 PolarHBondContact O-N 3.23Å; L1179-N1183 WeakPolarHBondContact O-CB 3.43Å; L1179-N1183 PolarHBondContact O-N 3.31Å |
| 1180 | Y | 70.8 | Confident | 76.9 | Confident | 92 Ų | 92 | 42 Ų | 42 | 36% | 0.361 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -51 | -48.7 | -175.5 | 178.7 | -94.1 | 0 | 0 | 0 | 113.1 | K1184 L1224 | Y1180-K1184 HydrophobicContact CE1-CD 4.11Å; Y1180-K1184 VanDerWaalsContact O-CB 3.3Å; Y1180-K1184 WeakPolarHBondContact O-CB 3.31Å; Y1180-K1184 PolarHBondContact O-N 2.87Å; Y1180-K1184 VanDerWaalsContact O-N 3.09Å; Y1180-K1184 PolarHBondContact OH-NZ 3.24Å; Y1180-L1224 HydrophobicContact CD2-CD2 4.4Å; Y1180-L1224 HydrophobicContact CE2-CD1 4.24Å; Y1180-L1224 HydrophobicContact CE2-CD2 3.33Å; Y1180-L1224 HydrophobicContact CE2-CG 3.87Å; Y1180-L1224 WeakPolarHBondContact OH-CD2 3.13Å |
| 1181 | D | 71.3 | Confident | 77.1 | Confident | 48 Ų | 48 | 41.9 Ų | 41.9 | 26% | 0.257 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -68.2 | -42.3 | -176.3 | -61.7 | -45.1 | 0 | 0 | 0 | 112 | L1133 L1179 T1185 | L1133-D1181 WeakPolarHBondContact CB-OD2 3.18Å; L1133-D1181 HydrophobicContact CD1-CB 3.87Å; L1179-D1181 VanDerWaalsContact C-N 3.32Å; L1179-D1181 PolarHBondContact O-N 3.42Å; D1181-T1185 PolarHBondContact O-N 3.12Å; D1181-T1185 VanDerWaalsContact O-N 3.16Å; D1181-T1185 PolarHBondContact O-OG1 3.3Å |
| 1182 | F | 77.6 | Confident | 77.3 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -67.8 | -45.1 | 178.5 | -174 | -86.4 | 0 | 0 | 0 | 111.9 | F1139 M1143 L1176 F1177 L1179 K1184 W1186 L1187 F1190 | F1139-F1182 HydrophobicContact CZ-CD2 4.12Å; M1143-F1182 HydrophobicContact SD-CD2 4.08Å; M1143-F1182 HydrophobicContact SD-CE2 3.69Å; L1176-F1182 HydrophobicContact CD2-CD1 4.26Å; L1176-F1182 HydrophobicContact CD2-CD2 3.66Å; L1176-F1182 HydrophobicContact CD2-CE1 4.06Å; L1176-F1182 HydrophobicContact CD2-CE2 3.42Å; L1176-F1182 VanDerWaalsContact CD2-CE2 3.42Å; L1176-F1182 HydrophobicContact CD2-CG 4.07Å; L1176-F1182 HydrophobicContact CD2-CZ 3.63Å; L1176-F1182 HydrophobicContact CG-CD1 4.47Å; L1176-F1182 HydrophobicContact CG-CD2 4.04Å; L1176-F1182 HydrophobicContact CG-CE2 4.3Å; L1176-F1182 HydrophobicContact CG-CG 4.12Å; F1177-F1182 AromaticContact CD1-CD1 3.94Å; F1177-F1182 HydrophobicContact CD1-CD1 3.94Å; F1177-F1182 AromaticContact CD1-CE1 3.34Å; F1177-F1182 HydrophobicContact CD1-CE1 3.34Å; F1177-F1182 AromaticContact CD1-CZ 3.95Å; F1177-F1182 HydrophobicContact CD1-CZ 3.95Å; F1177-F1182 AromaticContact CE1-CE1 3.87Å; F1177-F1182 HydrophobicContact CE1-CE1 3.87Å; F1177-F1182 HydrophobicContact CE1-CZ 4.03Å; F1177-F1182 HydrophobicContact CG-CE1 4.23Å; L1179-F1182 HydrophobicContact CB-CB 4.4Å; L1179-F1182 PolarHBondContact O-N 3.23Å; F1182-K1184 VanDerWaalsContact C-N 3.31Å; F1182-K1184 PolarHBondContact O-N 3.15Å; F1182-W1186 HydrophobicContact CD2-CB 3.84Å; F1182-W1186 HydrophobicContact CD2-CG 4.45Å; F1182-W1186 HydrophobicContact CE2-CB 3.79Å; F1182-W1186 HydrophobicContact CG-CB 4.33Å; F1182-W1186 HydrophobicContact CZ-CB 4.23Å; F1182-W1186 PolarHBondContact O-N 2.63Å; F1182-L1187 HydrophobicContact CD1-CB 4.32Å; F1182-L1187 HydrophobicContact CE1-CB 4.19Å; F1182-L1187 HydrophobicContact CE1-CD1 4.12Å; F1182-L1187 PolarHBondContact O-N 3.16Å; F1182-F1190 HydrophobicContact CE2-CD2 4.12Å; F1182-F1190 AromaticContact CE2-CE2 3.87Å; F1182-F1190 HydrophobicContact CE2-CE2 3.87Å; F1182-F1190 AromaticContact CZ-CD2 3.74Å; F1182-F1190 HydrophobicContact CZ-CD2 3.74Å; F1182-F1190 AromaticContact CZ-CE2 3.95Å; F1182-F1190 HydrophobicContact CZ-CE2 3.95Å |
| 1183 | N | 74.3 | Confident | 77.7 | Confident | 12 Ų | 12 | 38 Ų | 38 | 6% | 0.064 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -60.6 | -41.8 | -179.8 | -158.4 | -52.6 | 0 | 0 | 0 | 111.3 | F1177 L1179 S1220 | F1177-N1183 WeakPolarHBondContact O-CB 3.45Å; F1177-N1183 PolarHBondContact O-ND2 2.95Å; L1179-N1183 WeakPolarHBondContact O-CB 3.43Å; L1179-N1183 PolarHBondContact O-N 3.31Å; N1183-S1220 PolarHBondContact ND2-O 3.22Å |
| 1184 | K | 73.5 | Confident | 78.2 | Confident | 122 Ų | 122 | 35.5 Ų | 35.5 | 53% | 0.53 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -72.8 | -40.7 | -177.9 | -170.9 | -180 | -179.6 | -176.8 | 0 | 113.6 | Y1180 F1182 | Y1180-K1184 HydrophobicContact CE1-CD 4.11Å; Y1180-K1184 VanDerWaalsContact O-CB 3.3Å; Y1180-K1184 WeakPolarHBondContact O-CB 3.31Å; Y1180-K1184 PolarHBondContact O-N 2.87Å; Y1180-K1184 VanDerWaalsContact O-N 3.09Å; Y1180-K1184 PolarHBondContact OH-NZ 3.24Å; F1182-K1184 VanDerWaalsContact C-N 3.31Å; F1182-K1184 PolarHBondContact O-N 3.15Å |
| 1185 | T | 77.3 | Confident | 78.6 | Confident | 58 Ų | 58 | 32.3 Ų | 32.3 | 36% | 0.356 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -105.4 | -40.4 | -170.5 | 64.2 | 0 | 0 | 0 | 0 | 114.5 | D1181 V1189 | D1181-T1185 PolarHBondContact O-N 3.12Å; D1181-T1185 VanDerWaalsContact O-N 3.16Å; D1181-T1185 PolarHBondContact O-OG1 3.3Å; T1185-V1189 WeakPolarHBondContact O-CG2 3.49Å |
| 1186 | W | 83.1 | Confident | 78.9 | Confident | 25 Ų | 25 | 29.2 Ų | 29.2 | 10% | 0.095 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107 | -30.7 | -166.2 | -69.1 | 113.5 | 0 | 0 | 0 | 113.6 | H1140 M1143 F1144 F1182 S1188 V1189 F1190 | H1140-W1186 HydrophobicContact CB-CZ2 4.22Å; H1140-W1186 AromaticContact CE1-NE1 3.74Å; H1140-W1186 AromaticContact ND1-CE2 3.71Å; H1140-W1186 AromaticContact ND1-CZ2 3.79Å; H1140-W1186 AromaticContact ND1-NE1 3.1Å; H1140-W1186 PolarHBondContact ND1-NE1 2.78Å; H1140-W1186 VanDerWaalsContact O-CZ2 3.31Å; H1140-W1186 WeakPolarHBondContact O-CZ2 3.34Å; M1143-W1186 HydrophobicContact CB-CD2 3.39Å; M1143-W1186 HydrophobicContact CB-CE3 3.81Å; M1143-W1186 HydrophobicContact CB-CG 3.83Å; M1143-W1186 HydrophobicContact CB-CH2 4.04Å; M1143-W1186 HydrophobicContact CB-CZ2 3.61Å; M1143-W1186 HydrophobicContact CB-CZ3 4.11Å; M1143-W1186 HydrophobicContact CG-CD2 4.16Å; M1143-W1186 HydrophobicContact CG-CG 4.08Å; F1144-W1186 HydrophobicContact CB-CH2 3.7Å; F1144-W1186 HydrophobicContact CB-CZ2 4.49Å; F1144-W1186 HydrophobicContact CB-CZ3 4.39Å; F1144-W1186 HydrophobicContact CD2-CH2 4.13Å; F1144-W1186 HydrophobicContact CD2-CZ3 4.49Å; F1144-W1186 HydrophobicContact CG-CH2 4.43Å; F1144-W1186 VanDerWaalsContact N-CH2 3.34Å; F1182-W1186 HydrophobicContact CD2-CB 3.84Å; F1182-W1186 HydrophobicContact CD2-CG 4.45Å; F1182-W1186 HydrophobicContact CE2-CB 3.79Å; F1182-W1186 HydrophobicContact CG-CB 4.33Å; F1182-W1186 HydrophobicContact CZ-CB 4.23Å; F1182-W1186 PolarHBondContact O-N 2.63Å; W1186-S1188 VanDerWaalsContact C-N 3.28Å; W1186-S1188 PolarHBondContact O-N 3.47Å; W1186-V1189 HydrophobicContact CE3-CB 4.34Å; W1186-V1189 HydrophobicContact CE3-CG1 4.39Å; W1186-V1189 HydrophobicContact CZ3-CG1 4.49Å; W1186-V1189 PolarHBondContact O-N 2.64Å; W1186-V1189 VanDerWaalsContact O-N 3.07Å; W1186-F1190 HydrophobicContact CB-CD2 4.02Å; W1186-F1190 HydrophobicContact CB-CE2 3.92Å; W1186-F1190 HydrophobicContact CE3-CE2 4.34Å; W1186-F1190 WeakPolarHBondContact O-CD2 3.39Å; W1186-F1190 PolarHBondContact O-N 3.25Å |
| 1187 | L | 82 | Confident | 79.1 | Confident | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -57.4 | -42.8 | -179.3 | -175.4 | 66.6 | 0 | 0 | 0 | 111.9 | F1177 F1182 T1191 F1217 F1221 | F1177-L1187 HydrophobicContact CB-CD1 4.46Å; F1177-L1187 HydrophobicContact CG-CD1 4.4Å; F1182-L1187 HydrophobicContact CD1-CB 4.32Å; F1182-L1187 HydrophobicContact CE1-CB 4.19Å; F1182-L1187 HydrophobicContact CE1-CD1 4.12Å; F1182-L1187 PolarHBondContact O-N 3.16Å; L1187-T1191 WeakPolarHBondContact O-CB 3.3Å; L1187-T1191 WeakPolarHBondContact O-CG2 3.33Å; L1187-T1191 PolarHBondContact O-N 3.41Å; L1187-T1191 VanDerWaalsContact O-N 3.08Å; L1187-T1191 PolarHBondContact O-OG1 3.35Å; L1187-F1217 HydrophobicContact CD1-CB 3.99Å; L1187-F1217 HydrophobicContact CD1-CD1 3.5Å; L1187-F1217 HydrophobicContact CD1-CE1 4.44Å; L1187-F1217 HydrophobicContact CD1-CG 4.2Å; L1187-F1221 HydrophobicContact CD2-CD1 3.92Å; L1187-F1221 HydrophobicContact CD2-CD2 3.83Å; L1187-F1221 HydrophobicContact CD2-CE1 3.95Å; L1187-F1221 HydrophobicContact CD2-CE2 3.87Å; L1187-F1221 HydrophobicContact CD2-CG 3.87Å; L1187-F1221 HydrophobicContact CD2-CZ 3.94Å; L1187-F1221 HydrophobicContact CG-CD2 4.38Å; L1187-F1221 HydrophobicContact CG-CE1 4.17Å; L1187-F1221 HydrophobicContact CG-CE2 3.91Å; L1187-F1221 HydrophobicContact CG-CZ 3.8Å |
| 1188 | S | 81.2 | Confident | 79.3 | Confident | 41 Ų | 41 | 29.7 Ų | 29.7 | 29% | 0.287 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -65.1 | -42.8 | 174.6 | 56.2 | 0 | 0 | 0 | 0 | 112.3 | W1186 T1191 T1192 | W1186-S1188 VanDerWaalsContact C-N 3.28Å; W1186-S1188 PolarHBondContact O-N 3.47Å; S1188-T1191 WeakPolarHBondContact CA-OG1 3.29Å; S1188-T1191 PolarHBondContact O-N 3.14Å; S1188-T1191 PolarHBondContact O-OG1 3.42Å; S1188-T1192 VanDerWaalsContact O-CG2 3.27Å; S1188-T1192 WeakPolarHBondContact O-CG2 3.48Å; S1188-T1192 PolarHBondContact O-N 3.17Å; S1188-T1192 PolarHBondContact O-OG1 3.03Å; S1188-T1192 VanDerWaalsContact O-OG1 3.11Å |
| 1189 | V | 83.7 | Confident | 79.8 | Confident | 52 Ų | 52 | 27.5 Ų | 27.5 | 32% | 0.315 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -62.7 | -48.1 | 178.9 | 177.7 | 0 | 0 | 0 | 0 | 111.1 | T1185 W1186 T1192 S1193 | T1185-V1189 WeakPolarHBondContact O-CG2 3.49Å; W1186-V1189 HydrophobicContact CE3-CB 4.34Å; W1186-V1189 HydrophobicContact CE3-CG1 4.39Å; W1186-V1189 HydrophobicContact CZ3-CG1 4.49Å; W1186-V1189 PolarHBondContact O-N 2.64Å; W1186-V1189 VanDerWaalsContact O-N 3.07Å; V1189-T1192 PolarHBondContact O-N 3.25Å; V1189-T1192 PolarHBondContact O-OG1 3.42Å; V1189-S1193 PolarHBondContact O-N 3.34Å; V1189-S1193 PolarHBondContact O-OG 3.16Å |
| 1190 | F | 84.7 | Confident | 79.9 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -62.9 | -45.8 | 178.6 | -76.8 | -64.2 | 0 | 0 | 0 | 112.1 | M1143 F1146 L1150 L1167 F1182 W1186 T1192 S1193 I1194 F1217 | M1143-F1190 HydrophobicContact SD-CE2 4.26Å; F1146-F1190 HydrophobicContact CB-CE1 4.03Å; F1146-F1190 HydrophobicContact CB-CZ 3.9Å; L1150-F1190 HydrophobicContact CD1-CD1 3.47Å; L1150-F1190 VanDerWaalsContact CD1-CD1 3.47Å; L1150-F1190 HydrophobicContact CD1-CE1 3.86Å; L1167-F1190 HydrophobicContact CD1-CD1 4.14Å; L1167-F1190 HydrophobicContact CD1-CE1 3.98Å; L1167-F1190 HydrophobicContact CD1-CZ 4.25Å; F1182-F1190 HydrophobicContact CE2-CD2 4.12Å; F1182-F1190 AromaticContact CE2-CE2 3.87Å; F1182-F1190 HydrophobicContact CE2-CE2 3.87Å; F1182-F1190 AromaticContact CZ-CD2 3.74Å; F1182-F1190 HydrophobicContact CZ-CD2 3.74Å; F1182-F1190 AromaticContact CZ-CE2 3.95Å; F1182-F1190 HydrophobicContact CZ-CE2 3.95Å; W1186-F1190 HydrophobicContact CB-CD2 4.02Å; W1186-F1190 HydrophobicContact CB-CE2 3.92Å; W1186-F1190 HydrophobicContact CE3-CE2 4.34Å; W1186-F1190 WeakPolarHBondContact O-CD2 3.39Å; W1186-F1190 PolarHBondContact O-N 3.25Å; F1190-T1192 PolarHBondContact O-N 3.24Å; F1190-S1193 WeakPolarHBondContact CA-OG 3.46Å; F1190-S1193 PolarHBondContact O-N 2.92Å; F1190-S1193 PolarHBondContact O-OG 3.07Å; F1190-I1194 WeakPolarHBondContact O-CG1 3.34Å; F1190-I1194 PolarHBondContact O-N 2.67Å; F1190-F1217 HydrophobicContact CB-CE1 4.35Å; F1190-F1217 HydrophobicContact CB-CZ 4.44Å |
| 1191 | T | 82.3 | Confident | 80 | Confident | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -63.4 | -40.9 | 178.4 | 43.5 | 0 | 0 | 0 | 0 | 112.8 | L1187 S1188 L1195 F1217 F1221 F1269 | L1187-T1191 WeakPolarHBondContact O-CB 3.3Å; L1187-T1191 WeakPolarHBondContact O-CG2 3.33Å; L1187-T1191 PolarHBondContact O-N 3.41Å; L1187-T1191 VanDerWaalsContact O-N 3.08Å; L1187-T1191 PolarHBondContact O-OG1 3.35Å; S1188-T1191 WeakPolarHBondContact CA-OG1 3.29Å; S1188-T1191 PolarHBondContact O-N 3.14Å; S1188-T1191 PolarHBondContact O-OG1 3.42Å; T1191-L1195 WeakPolarHBondContact O-CB 3.15Å; T1191-L1195 WeakPolarHBondContact O-CG 3.31Å; T1191-L1195 PolarHBondContact O-N 2.94Å; T1191-F1217 HydrophobicContact CG2-CB 3.3Å; T1191-F1217 HydrophobicContact CG2-CD2 4.36Å; T1191-F1217 HydrophobicContact CG2-CG 3.89Å; T1191-F1221 HydrophobicContact CG2-CE2 4.04Å; T1191-F1221 HydrophobicContact CG2-CZ 4.27Å; T1191-F1269 VanDerWaalsContact OG1-CE2 3.29Å; T1191-F1269 WeakPolarHBondContact OG1-CE2 3.2Å; T1191-F1269 WeakPolarHBondContact OG1-CZ 3.49Å |
| 1192 | T | 84.3 | Confident | 79.7 | Confident | 37 Ų | 37 | 30.8 Ų | 30.8 | 23% | 0.227 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -63.6 | -42 | 174 | 57.9 | 0 | 0 | 0 | 0 | 112.3 | S1188 V1189 F1190 I1194 L1195 N1196 F1269 Y1273 | S1188-T1192 VanDerWaalsContact O-CG2 3.27Å; S1188-T1192 WeakPolarHBondContact O-CG2 3.48Å; S1188-T1192 PolarHBondContact O-N 3.17Å; S1188-T1192 PolarHBondContact O-OG1 3.03Å; S1188-T1192 VanDerWaalsContact O-OG1 3.11Å; V1189-T1192 PolarHBondContact O-N 3.25Å; V1189-T1192 PolarHBondContact O-OG1 3.42Å; F1190-T1192 PolarHBondContact O-N 3.24Å; T1192-I1194 PolarHBondContact O-N 3Å; T1192-L1195 PolarHBondContact O-N 3.45Å; T1192-N1196 WeakPolarHBondContact O-CB 3.39Å; T1192-N1196 VanDerWaalsContact O-CG 3.27Å; T1192-N1196 PolarHBondContact O-N 3.1Å; T1192-N1196 PolarHBondContact O-ND2 3.17Å; T1192-F1269 HydrophobicContact CG2-CE2 3.84Å; T1192-F1269 HydrophobicContact CG2-CZ 3.57Å; T1192-Y1273 HydrophobicContact CG2-CD2 3.52Å; T1192-Y1273 HydrophobicContact CG2-CE2 4.04Å; T1192-Y1273 HydrophobicContact CG2-CG 4.49Å |
| 1193 | S | 83.7 | Confident | 79.2 | Confident | 15 Ų | 15 | 31.8 Ų | 31.8 | 11% | 0.105 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -62.6 | -43.2 | 178.4 | 67.3 | 0 | 0 | 0 | 0 | 112.7 | V1189 F1190 N1196 L1197 | V1189-S1193 PolarHBondContact O-N 3.34Å; V1189-S1193 PolarHBondContact O-OG 3.16Å; F1190-S1193 WeakPolarHBondContact CA-OG 3.46Å; F1190-S1193 PolarHBondContact O-N 2.92Å; F1190-S1193 PolarHBondContact O-OG 3.07Å; S1193-N1196 PolarHBondContact O-N 3.09Å; S1193-L1197 WeakPolarHBondContact O-CG 3.48Å; S1193-L1197 PolarHBondContact O-N 3.22Å |
| 1194 | I | 83.3 | Confident | 79.1 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -66.2 | -43 | 178.4 | -66.8 | 162.4 | 0 | 0 | 0 | 110.9 | L1150 I1164 F1190 T1192 N1196 L1197 L1198 L1210 V1214 F1217 | L1150-I1194 HydrophobicContact CD1-CG1 4.47Å; I1164-I1194 HydrophobicContact CD1-CG1 4.41Å; F1190-I1194 WeakPolarHBondContact O-CG1 3.34Å; F1190-I1194 PolarHBondContact O-N 2.67Å; T1192-I1194 PolarHBondContact O-N 3Å; I1194-N1196 VanDerWaalsContact C-N 3.32Å; I1194-N1196 PolarHBondContact O-N 3.39Å; I1194-L1197 PolarHBondContact O-N 3.02Å; I1194-L1198 HydrophobicContact CG2-CD1 4.31Å; I1194-L1198 WeakPolarHBondContact O-CG 2.8Å; I1194-L1198 PolarHBondContact O-N 3.23Å; I1194-L1210 HydrophobicContact CG1-CD2 4.48Å; I1194-L1210 HydrophobicContact CG2-CB 4.27Å; I1194-L1210 HydrophobicContact CG2-CD2 3.93Å; I1194-V1214 HydrophobicContact CB-CG2 4.45Å; I1194-V1214 HydrophobicContact CG2-CG2 3.53Å; I1194-F1217 HydrophobicContact CD1-CD2 3.79Å; I1194-F1217 HydrophobicContact CD1-CE2 3.34Å; I1194-F1217 HydrophobicContact CD1-CZ 4.18Å |
| 1195 | L | 83.1 | Confident | 79.1 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -64.8 | -36.6 | 176 | -71.4 | 171.1 | 0 | 0 | 0 | 111.8 | T1191 T1192 L1198 I1199 V1214 F1269 Y1273 I1312 | T1191-L1195 WeakPolarHBondContact O-CB 3.15Å; T1191-L1195 WeakPolarHBondContact O-CG 3.31Å; T1191-L1195 PolarHBondContact O-N 2.94Å; T1192-L1195 PolarHBondContact O-N 3.45Å; L1195-L1198 PolarHBondContact O-N 2.84Å; L1195-I1199 WeakPolarHBondContact O-CB 3.5Å; L1195-I1199 WeakPolarHBondContact O-CD1 3.49Å; L1195-I1199 WeakPolarHBondContact O-CG1 3.42Å; L1195-I1199 PolarHBondContact O-N 3.22Å; L1195-V1214 HydrophobicContact CD2-CG1 4.36Å; L1195-V1214 HydrophobicContact CD2-CG2 4.21Å; L1195-F1269 HydrophobicContact CD1-CE1 3.91Å; L1195-Y1273 VanDerWaalsContact C-OH 3.26Å; L1195-Y1273 HydrophobicContact CB-CE1 3.75Å; L1195-Y1273 HydrophobicContact CB-CE2 4.09Å; L1195-Y1273 VanDerWaalsContact CB-CZ 3.41Å; L1195-Y1273 WeakPolarHBondContact CB-OH 3.34Å; L1195-Y1273 HydrophobicContact CD1-CD1 3.8Å; L1195-Y1273 HydrophobicContact CD1-CE1 3.69Å; L1195-Y1273 HydrophobicContact CD1-CE2 4.42Å; L1195-Y1273 HydrophobicContact CD1-CG 4.22Å; L1195-Y1273 HydrophobicContact CG-CE1 4.3Å; L1195-I1312 HydrophobicContact CD2-CG2 4.48Å |
| 1196 | N | 83.2 | Confident | 78.9 | Confident | 47 Ų | 47 | 32.7 Ų | 32.7 | 25% | 0.251 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -64.2 | -45.2 | 174.8 | -75.3 | -29.5 | 0 | 0 | 0 | 111.7 | T1192 S1193 I1194 L1198 I1199 D1200 Y1273 | T1192-N1196 WeakPolarHBondContact O-CB 3.39Å; T1192-N1196 VanDerWaalsContact O-CG 3.27Å; T1192-N1196 PolarHBondContact O-N 3.1Å; T1192-N1196 PolarHBondContact O-ND2 3.17Å; S1193-N1196 PolarHBondContact O-N 3.09Å; I1194-N1196 VanDerWaalsContact C-N 3.32Å; I1194-N1196 PolarHBondContact O-N 3.39Å; N1196-L1198 VanDerWaalsContact C-N 3.31Å; N1196-L1198 PolarHBondContact O-N 2.89Å; N1196-I1199 PolarHBondContact O-N 3.3Å; N1196-I1199 VanDerWaalsContact O-N 3.11Å; N1196-D1200 PolarHBondContact O-N 3.4Å; N1196-Y1273 PolarHBondContact N-OH 2.75Å; N1196-Y1273 PolarHBondContact OD1-OH 2.93Å |
| 1197 | L | 81.9 | Confident | 78.8 | Confident | 1 Ų | 1 | 34.9 Ų | 34.9 | 1% | 0.005 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -57.9 | -44.4 | 174.6 | -71.4 | 173.8 | 0 | 0 | 0 | 111.7 | L1150 V1160 S1193 I1194 I1199 N1201 K1202 L1210 | L1150-L1197 HydrophobicContact CB-CD1 4.3Å; L1150-L1197 HydrophobicContact CD2-CD1 4.29Å; V1160-L1197 HydrophobicContact CG1-CD1 4.12Å; S1193-L1197 WeakPolarHBondContact O-CG 3.48Å; S1193-L1197 PolarHBondContact O-N 3.22Å; I1194-L1197 PolarHBondContact O-N 3.02Å; L1197-I1199 VanDerWaalsContact C-N 3.35Å; L1197-I1199 PolarHBondContact O-N 3.04Å; L1197-N1201 PolarHBondContact O-N 3.06Å; L1197-K1202 HydrophobicContact CD2-CB 4.3Å; L1197-K1202 PolarHBondContact O-N 3.46Å; L1197-L1210 HydrophobicContact CD1-CD2 4.23Å |
| 1198 | L | 80.3 | Confident | 78.7 | Confident | 8 Ų | 8 | 40.6 Ų | 40.6 | 4% | 0.042 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -65.3 | -33.6 | 175.5 | -75.4 | 175 | 0 | 0 | 0 | 112.5 | I1194 L1195 N1196 K1207 L1210 T1211 V1214 I1312 V1316 R1320 | I1194-L1198 HydrophobicContact CG2-CD1 4.31Å; I1194-L1198 WeakPolarHBondContact O-CG 2.8Å; I1194-L1198 PolarHBondContact O-N 3.23Å; L1195-L1198 PolarHBondContact O-N 2.84Å; N1196-L1198 VanDerWaalsContact C-N 3.31Å; N1196-L1198 PolarHBondContact O-N 2.89Å; L1198-K1207 HydrophobicContact CD2-CG 4.08Å; L1198-L1210 HydrophobicContact CD1-CB 4.3Å; L1198-L1210 HydrophobicContact CD2-CB 3.69Å; L1198-L1210 HydrophobicContact CD2-CD1 4.18Å; L1198-L1210 HydrophobicContact CG-CB 3.97Å; L1198-T1211 HydrophobicContact CD1-CG2 4.03Å; L1198-T1211 HydrophobicContact CD2-CG2 3.95Å; L1198-V1214 HydrophobicContact CD1-CG2 4.2Å; L1198-I1312 HydrophobicContact CD1-CG2 4.26Å; L1198-V1316 HydrophobicContact CB-CG2 3.99Å; L1198-V1316 WeakPolarHBondContact O-CG1 3.43Å; L1198-R1320 PolarHBondContact O-NH2 2.98Å |
| 1199 | I | 79.7 | Confident | 78.6 | Confident | 5 Ų | 5 | 40.3 Ų | 40.3 | 3% | 0.026 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -77.5 | -40.5 | 179 | -68.7 | 164.4 | 0 | 0 | 0 | 111.6 | L1195 N1196 L1197 N1201 Y1273 V1316 I1319 R1320 R1323 | L1195-I1199 WeakPolarHBondContact O-CB 3.5Å; L1195-I1199 WeakPolarHBondContact O-CD1 3.49Å; L1195-I1199 WeakPolarHBondContact O-CG1 3.42Å; L1195-I1199 PolarHBondContact O-N 3.22Å; N1196-I1199 PolarHBondContact O-N 3.3Å; N1196-I1199 VanDerWaalsContact O-N 3.11Å; L1197-I1199 VanDerWaalsContact C-N 3.35Å; L1197-I1199 PolarHBondContact O-N 3.04Å; I1199-N1201 PolarHBondContact O-N 3.39Å; I1199-Y1273 HydrophobicContact CD1-CE1 4.05Å; I1199-Y1273 WeakPolarHBondContact CD1-OH 3.36Å; I1199-V1316 HydrophobicContact CG1-CG2 4.33Å; I1199-I1319 HydrophobicContact CD1-CD1 3.77Å; I1199-I1319 HydrophobicContact CD1-CG2 4.13Å; I1199-I1319 HydrophobicContact CG1-CD1 4.35Å; I1199-I1319 HydrophobicContact CG1-CG2 4.36Å; I1199-I1319 HydrophobicContact CG2-CG2 3.84Å; I1199-R1320 HydrophobicContact CG2-CG 4.46Å; I1199-R1320 PolarHBondContact O-NE 3.05Å; I1199-R1320 PolarHBondContact O-NH2 3.39Å; I1199-R1323 VanDerWaalsContact CG2-NH1 3.32Å |
| 1200 | D | 76.1 | Confident | 78.5 | Confident | 66 Ų | 66 | 37.9 Ų | 37.9 | 35% | 0.353 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83 | 5.8 | -173.9 | -65.2 | -19 | 0 | 0 | 0 | 113.7 | N1196 K1202 R1323 | N1196-D1200 PolarHBondContact O-N 3.4Å; D1200-K1202 VanDerWaalsContact C-N 3.26Å; D1200-K1202 HydrophobicContact CB-CG 4.25Å; D1200-K1202 PolarHBondContact O-N 3.32Å; D1200-R1323 IonicContact OD1-NH1 3.67Å; D1200-R1323 PolarHBondContact OD1-NH1 3.06Å |
| 1201 | N | 73.6 | Confident | 78.3 | Confident | 87 Ų | 87 | 38.2 Ų | 38.2 | 47% | 0.465 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 63 | 31.6 | 175.3 | -120.2 | -4.3 | 0 | 0 | 0 | 113.1 | L1197 I1199 N1204 R1320 | L1197-N1201 PolarHBondContact O-N 3.06Å; I1199-N1201 PolarHBondContact O-N 3.39Å; N1201-N1204 PolarHBondContact OD1-OD1 2.93Å; N1201-R1320 PolarHBondContact ND2-NH1 3.05Å; N1201-R1320 PolarHBondContact OD1-NH1 3.24Å; N1201-R1320 PolarHBondContact OD1-NH2 3.14Å |
| 1202 | K | 64.4 | Low | 78.3 | Confident | 70 Ų | 70 | 41.6 Ų | 41.6 | 30% | 0.304 | 22% | 0.223 | S | C | . | . | trans | -97 | 138.8 | 179.4 | -61.2 | -167.2 | 175.4 | -179.7 | 0 | 110.1 | P1152 D1153 L1197 D1200 | P1152-K1202 HydrophobicContact CB-CD 4.19Å; P1152-K1202 WeakPolarHBondContact O-CD 3.36Å; P1152-K1202 VanDerWaalsContact O-CE 3.28Å; P1152-K1202 WeakPolarHBondContact O-CE 3.43Å; P1152-K1202 PolarHBondContact O-NZ 3.47Å; D1153-K1202 IonicContact OD1-NZ 3.01Å; D1153-K1202 PolarHBondContact OD1-NZ 2.98Å; L1197-K1202 HydrophobicContact CD2-CB 4.3Å; L1197-K1202 PolarHBondContact O-N 3.46Å; D1200-K1202 VanDerWaalsContact C-N 3.26Å; D1200-K1202 HydrophobicContact CB-CG 4.25Å; D1200-K1202 PolarHBondContact O-N 3.32Å | ||
| 1203 | H | 68.3 | Low | 78.1 | Confident | 22 Ų | 22 | 39.9 Ų | 39.9 | 10% | 0.102 | 21% | 0.213 | C | C | . | . | trans | 60.8 | 50.9 | -177.8 | -48.9 | -60.5 | 0 | 0 | 0 | 116.2 | Q1154 V1155 S1157 S1205 C1206 | Q1154-H1203 PolarHBondContact O-CE1 3.3Å; Q1154-H1203 PolarHBondContact O-NE2 2.89Å; Q1154-H1203 VanDerWaalsContact O-NE2 3.08Å; V1155-H1203 PolarHBondContact O-CE1 2.79Å; S1157-H1203 WeakPolarHBondContact CA-ND1 3.37Å; S1157-H1203 WeakPolarHBondContact CB-ND1 2.96Å; S1157-H1203 PolarHBondContact N-ND1 3.09Å; H1203-S1205 PolarHBondContact O-N 3.29Å; H1203-C1206 VanDerWaalsContact CB-SG 3.58Å; H1203-C1206 PolarHBondContact O-N 3.19Å; H1203-C1206 PolarHBondContact O-SG 2.99Å; H1203-C1206 VanDerWaalsContact O-SG 3.36Å | ||
| 1204 | N | 70.4 | Confident | 78.1 | Confident | 105 Ų | 105 | 39.2 Ų | 39.2 | 56% | 0.561 | 21% | 0.208 | S | C | * | . | G | 310 helix | trans | -54.1 | -24.7 | 176.9 | -72.3 | -15.6 | 0 | 0 | 0 | 114.5 | N1201 C1206 K1207 | N1201-N1204 PolarHBondContact OD1-OD1 2.93Å; N1204-C1206 PolarHBondContact O-N 3.28Å; N1204-K1207 PolarHBondContact O-N 3.22Å |
| 1205 | S | 74.3 | Confident | 77.9 | Confident | 99 Ų | 99 | 40.6 Ų | 40.6 | 69% | 0.692 | 21% | 0.213 | S | C | * | . | G | 310 helix | trans | -66.1 | -18.2 | 176.6 | 54.9 | 0 | 0 | 0 | 0 | 114.6 | S1157 H1203 | S1157-S1205 WeakPolarHBondContact CB-OG 3.2Å; S1157-S1205 PolarHBondContact OG-OG 3.03Å; H1203-S1205 PolarHBondContact O-N 3.29Å |
| 1206 | C | 74 | Confident | 77.7 | Confident | 6 Ų | 6 | 44.2 Ų | 44.2 | 4% | 0.041 | 23% | 0.228 | C | C | . | . | G | 310 helix | trans | -121.2 | 22.9 | 176.8 | 65.6 | 0 | 0 | 0 | 0 | 113.4 | K1161 H1203 N1204 D1208 I1209 L1210 | K1161-C1206 HydrophobicContact CB-CB 4.26Å; H1203-C1206 VanDerWaalsContact CB-SG 3.58Å; H1203-C1206 PolarHBondContact O-N 3.19Å; H1203-C1206 PolarHBondContact O-SG 2.99Å; H1203-C1206 VanDerWaalsContact O-SG 3.36Å; N1204-C1206 PolarHBondContact O-N 3.28Å; C1206-D1208 VanDerWaalsContact C-N 3.33Å; C1206-D1208 PolarHBondContact O-N 3.16Å; C1206-I1209 PolarHBondContact O-N 2.57Å; C1206-L1210 WeakPolarHBondContact O-CG 3.37Å; C1206-L1210 PolarHBondContact O-N 3.23Å |
| 1207 | K | 79.5 | Confident | 77.5 | Confident | 72 Ų | 72 | 42 Ų | 42 | 31% | 0.313 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -54.9 | -45.1 | -177.6 | -170.2 | -167.2 | 179.9 | -146.3 | 0 | 112.6 | L1198 N1204 I1209 L1210 T1211 E1313 | L1198-K1207 HydrophobicContact CD2-CG 4.08Å; N1204-K1207 PolarHBondContact O-N 3.22Å; K1207-I1209 VanDerWaalsContact C-N 3.29Å; K1207-I1209 PolarHBondContact O-N 2.72Å; K1207-L1210 WeakPolarHBondContact O-CB 3.4Å; K1207-L1210 PolarHBondContact O-N 3.38Å; K1207-T1211 WeakPolarHBondContact O-CG2 3.36Å; K1207-T1211 PolarHBondContact O-N 3.28Å; K1207-T1211 PolarHBondContact O-OG1 3.27Å; K1207-E1313 IonicContact NZ-OE1 2.59Å; K1207-E1313 PolarHBondContact NZ-OE1 3.1Å |
| 1208 | D | 80.1 | Confident | 77.2 | Confident | 119 Ų | 119 | 42 Ų | 42 | 64% | 0.636 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -63.8 | -36.3 | -177.4 | -58.9 | -21.7 | 0 | 0 | 0 | 112.2 | C1206 T1211 E1212 | C1206-D1208 VanDerWaalsContact C-N 3.33Å; C1206-D1208 PolarHBondContact O-N 3.16Å; D1208-T1211 WeakPolarHBondContact CA-OG1 3.24Å; D1208-T1211 PolarHBondContact O-OG1 2.87Å; D1208-E1212 VanDerWaalsContact O-CB 3.28Å; D1208-E1212 WeakPolarHBondContact O-CB 3.5Å; D1208-E1212 PolarHBondContact O-N 2.87Å |
| 1209 | I | 80.2 | Confident | 76.9 | Confident | 36 Ų | 36 | 43 Ų | 43 | 19% | 0.185 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -74.2 | -38.9 | 178.3 | -60.9 | 171.8 | 0 | 0 | 0 | 110.2 | K1161 I1164 E1165 C1206 K1207 S1213 | K1161-I1209 HydrophobicContact CD-CD1 3.48Å; K1161-I1209 VanDerWaalsContact CD-CD1 3.48Å; K1161-I1209 HydrophobicContact CG-CD1 3.64Å; I1164-I1209 HydrophobicContact CG2-CG2 4.06Å; E1165-I1209 HydrophobicContact CG-CG2 4.41Å; C1206-I1209 PolarHBondContact O-N 2.57Å; K1207-I1209 VanDerWaalsContact C-N 3.29Å; K1207-I1209 PolarHBondContact O-N 2.72Å; I1209-S1213 WeakPolarHBondContact O-CB 3.29Å; I1209-S1213 PolarHBondContact O-N 2.9Å; I1209-S1213 PolarHBondContact O-OG 3.06Å |
| 1210 | L | 81.1 | Confident | 76.4 | Confident | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.005 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -61 | -47.6 | 174 | -72.2 | 166.4 | 0 | 0 | 0 | 110.5 | V1160 I1164 I1194 L1197 L1198 C1206 K1207 S1213 V1214 | V1160-L1210 HydrophobicContact CG1-CD2 4.13Å; I1164-L1210 HydrophobicContact CD1-CD2 3.34Å; I1164-L1210 HydrophobicContact CD1-CG 4.33Å; I1194-L1210 HydrophobicContact CG1-CD2 4.48Å; I1194-L1210 HydrophobicContact CG2-CB 4.27Å; I1194-L1210 HydrophobicContact CG2-CD2 3.93Å; L1197-L1210 HydrophobicContact CD1-CD2 4.23Å; L1198-L1210 HydrophobicContact CD1-CB 4.3Å; L1198-L1210 HydrophobicContact CD2-CB 3.69Å; L1198-L1210 HydrophobicContact CD2-CD1 4.18Å; L1198-L1210 HydrophobicContact CG-CB 3.97Å; C1206-L1210 WeakPolarHBondContact O-CG 3.37Å; C1206-L1210 PolarHBondContact O-N 3.23Å; K1207-L1210 WeakPolarHBondContact O-CB 3.4Å; K1207-L1210 PolarHBondContact O-N 3.38Å; L1210-S1213 PolarHBondContact O-N 3.32Å; L1210-S1213 PolarHBondContact O-OG 3.5Å; L1210-V1214 WeakPolarHBondContact O-CG2 3.47Å; L1210-V1214 PolarHBondContact O-N 3.48Å |
| 1211 | T | 81.2 | Confident | 76 | Confident | 6 Ų | 6 | 40.5 Ų | 40.5 | 4% | 0.037 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -65 | -45.6 | 178.8 | 52.6 | 0 | 0 | 0 | 0 | 112 | L1198 K1207 D1208 S1213 V1214 N1309 E1313 | L1198-T1211 HydrophobicContact CD1-CG2 4.03Å; L1198-T1211 HydrophobicContact CD2-CG2 3.95Å; K1207-T1211 WeakPolarHBondContact O-CG2 3.36Å; K1207-T1211 PolarHBondContact O-N 3.28Å; K1207-T1211 PolarHBondContact O-OG1 3.27Å; D1208-T1211 WeakPolarHBondContact CA-OG1 3.24Å; D1208-T1211 PolarHBondContact O-OG1 2.87Å; T1211-S1213 VanDerWaalsContact C-N 3.29Å; T1211-S1213 PolarHBondContact O-N 3.27Å; T1211-V1214 PolarHBondContact O-N 3Å; T1211-N1309 PolarHBondContact O-OD1 3.49Å; T1211-E1313 HydrophobicContact CG2-CG 4.29Å |
| 1212 | E | 82.4 | Confident | 75.3 | Confident | 71 Ų | 71 | 38.8 Ų | 38.8 | 33% | 0.332 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -62.7 | -37 | 177.1 | -160.5 | -169.6 | 159.2 | 0 | 0 | 111.9 | D1208 V1214 Y1215 Y1216 I1305 | D1208-E1212 VanDerWaalsContact O-CB 3.28Å; D1208-E1212 WeakPolarHBondContact O-CB 3.5Å; D1208-E1212 PolarHBondContact O-N 2.87Å; E1212-V1214 VanDerWaalsContact C-N 3.33Å; E1212-V1214 PolarHBondContact O-N 2.92Å; E1212-Y1215 WeakPolarHBondContact O-CB 3.48Å; E1212-Y1215 PolarHBondContact O-N 2.86Å; E1212-Y1215 VanDerWaalsContact O-N 3.16Å; E1212-Y1216 HydrophobicContact CG-CD2 4.43Å; E1212-Y1216 HydrophobicContact CG-CE2 3.7Å; E1212-Y1216 VanDerWaalsContact O-CD2 3.28Å; E1212-Y1216 WeakPolarHBondContact O-CD2 3.2Å; E1212-Y1216 PolarHBondContact O-N 2.93Å; E1212-Y1216 VanDerWaalsContact OE1-CE2 3.3Å; E1212-Y1216 WeakPolarHBondContact OE1-CE2 3.47Å; E1212-Y1216 PolarHBondContact OE1-OH 3.41Å; E1212-I1305 HydrophobicContact CG-CG2 4.32Å |
| 1213 | S | 80 | Confident | 74.6 | Confident | 2 Ų | 2 | 41.3 Ų | 41.3 | 1% | 0.014 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -62.9 | -38.1 | 177.6 | 74.6 | 0 | 0 | 0 | 0 | 112.9 | I1209 L1210 T1211 Y1215 Y1216 F1217 | I1209-S1213 WeakPolarHBondContact O-CB 3.29Å; I1209-S1213 PolarHBondContact O-N 2.9Å; I1209-S1213 PolarHBondContact O-OG 3.06Å; L1210-S1213 PolarHBondContact O-N 3.32Å; L1210-S1213 PolarHBondContact O-OG 3.5Å; T1211-S1213 VanDerWaalsContact C-N 3.29Å; T1211-S1213 PolarHBondContact O-N 3.27Å; S1213-Y1215 PolarHBondContact O-N 2.98Å; S1213-Y1216 PolarHBondContact O-N 2.99Å; S1213-Y1216 VanDerWaalsContact O-N 3.09Å; S1213-F1217 WeakPolarHBondContact O-CD2 3.24Å; S1213-F1217 PolarHBondContact O-N 3.41Å |
| 1214 | V | 82 | Confident | 73.2 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -58 | -37.2 | 176.5 | 178.1 | 0 | 0 | 0 | 0 | 110.6 | I1194 L1195 L1198 L1210 T1211 E1212 F1217 A1218 F1265 F1308 I1312 | I1194-V1214 HydrophobicContact CB-CG2 4.45Å; I1194-V1214 HydrophobicContact CG2-CG2 3.53Å; L1195-V1214 HydrophobicContact CD2-CG1 4.36Å; L1195-V1214 HydrophobicContact CD2-CG2 4.21Å; L1198-V1214 HydrophobicContact CD1-CG2 4.2Å; L1210-V1214 WeakPolarHBondContact O-CG2 3.47Å; L1210-V1214 PolarHBondContact O-N 3.48Å; T1211-V1214 PolarHBondContact O-N 3Å; E1212-V1214 VanDerWaalsContact C-N 3.33Å; E1212-V1214 PolarHBondContact O-N 2.92Å; V1214-F1217 PolarHBondContact O-N 3.01Å; V1214-A1218 WeakPolarHBondContact O-CB 3.41Å; V1214-A1218 PolarHBondContact O-N 2.99Å; V1214-F1265 HydrophobicContact CG1-CZ 4.07Å; V1214-F1308 HydrophobicContact CB-CE1 4.46Å; V1214-F1308 HydrophobicContact CG1-CE1 4.03Å; V1214-F1308 HydrophobicContact CG1-CZ 4.23Å; V1214-I1312 HydrophobicContact CG1-CD1 3.94Å; V1214-I1312 HydrophobicContact CG1-CG1 4.26Å |
| 1215 | Y | 81.1 | Confident | 71.3 | Confident | 30 Ų | 30 | 43 Ų | 43 | 12% | 0.118 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -61.9 | -49.4 | 175.2 | 175.9 | -99.4 | 0 | 0 | 0 | 112 | E1212 S1213 F1217 A1218 A1219 L1262 I1305 F1308 | E1212-Y1215 WeakPolarHBondContact O-CB 3.48Å; E1212-Y1215 PolarHBondContact O-N 2.86Å; E1212-Y1215 VanDerWaalsContact O-N 3.16Å; S1213-Y1215 PolarHBondContact O-N 2.98Å; Y1215-F1217 VanDerWaalsContact C-N 3.31Å; Y1215-F1217 PolarHBondContact O-N 3.47Å; Y1215-A1218 PolarHBondContact O-N 3.33Å; Y1215-A1219 WeakPolarHBondContact O-CB 3.43Å; Y1215-A1219 PolarHBondContact O-N 2.92Å; Y1215-L1262 HydrophobicContact CE2-CD1 4.28Å; Y1215-L1262 HydrophobicContact CE2-CD2 4.48Å; Y1215-I1305 HydrophobicContact CD1-CD1 4.35Å; Y1215-I1305 HydrophobicContact CD1-CG1 3.91Å; Y1215-I1305 HydrophobicContact CE1-CD1 4.06Å; Y1215-I1305 HydrophobicContact CE1-CG1 3.57Å; Y1215-I1305 HydrophobicContact CE2-CG1 4.42Å; Y1215-I1305 HydrophobicContact CG-CG1 4.46Å; Y1215-F1308 VanDerWaalsContact CA-CE1 3.48Å; Y1215-F1308 HydrophobicContact CD2-CB 3.86Å; Y1215-F1308 AromaticContact CD2-CD1 3.65Å; Y1215-F1308 HydrophobicContact CD2-CD1 3.65Å; Y1215-F1308 HydrophobicContact CD2-CD2 4.28Å; Y1215-F1308 HydrophobicContact CD2-CE1 4.24Å; Y1215-F1308 AromaticContact CD2-CG 3.66Å; Y1215-F1308 HydrophobicContact CD2-CG 3.66Å; Y1215-F1308 HydrophobicContact CE2-CB 4.36Å; Y1215-F1308 HydrophobicContact CE2-CG 4.46Å; Y1215-F1308 HydrophobicContact CG-CD1 4.13Å |
| 1216 | Y | 78.2 | Confident | 69.1 | Low | 76 Ų | 76 | 44.1 Ų | 44.1 | 30% | 0.298 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -61.9 | -38.7 | 179.9 | -67.2 | -64.2 | 0 | 0 | 0 | 112.5 | V1168 E1212 S1213 | V1168-Y1216 HydrophobicContact CG1-CD2 4.01Å; V1168-Y1216 HydrophobicContact CG1-CE2 4.25Å; V1168-Y1216 HydrophobicContact CG1-CG 4.24Å; V1168-Y1216 HydrophobicContact CG2-CD2 4.12Å; E1212-Y1216 HydrophobicContact CG-CD2 4.43Å; E1212-Y1216 HydrophobicContact CG-CE2 3.7Å; E1212-Y1216 VanDerWaalsContact O-CD2 3.28Å; E1212-Y1216 WeakPolarHBondContact O-CD2 3.2Å; E1212-Y1216 PolarHBondContact O-N 2.93Å; E1212-Y1216 VanDerWaalsContact OE1-CE2 3.3Å; E1212-Y1216 WeakPolarHBondContact OE1-CE2 3.47Å; E1212-Y1216 PolarHBondContact OE1-OH 3.41Å; S1213-Y1216 PolarHBondContact O-N 2.99Å; S1213-Y1216 VanDerWaalsContact O-N 3.09Å |
| 1217 | F | 78.8 | Confident | 66.9 | Low | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -70.3 | -44.4 | 174.6 | -67.6 | -68 | 0 | 0 | 0 | 111.8 | L1167 F1177 L1187 F1190 T1191 I1194 S1213 V1214 Y1215 A1219 S1220 F1221 | L1167-F1217 HydrophobicContact CD1-CZ 4.41Å; F1177-F1217 HydrophobicContact CD1-CD1 4.48Å; F1177-F1217 HydrophobicContact CD1-CE1 4.35Å; F1177-F1217 HydrophobicContact CD2-CD1 4.04Å; F1177-F1217 HydrophobicContact CD2-CE1 4.46Å; F1177-F1217 HydrophobicContact CE1-CD1 4.08Å; F1177-F1217 AromaticContact CE1-CE1 3.58Å; F1177-F1217 HydrophobicContact CE1-CE1 3.58Å; F1177-F1217 HydrophobicContact CE1-CZ 4.49Å; F1177-F1217 AromaticContact CE2-CD1 3.59Å; F1177-F1217 HydrophobicContact CE2-CD1 3.59Å; F1177-F1217 AromaticContact CE2-CE1 3.71Å; F1177-F1217 HydrophobicContact CE2-CE1 3.71Å; F1177-F1217 HydrophobicContact CE2-CG 4.34Å; F1177-F1217 HydrophobicContact CE2-CZ 4.47Å; F1177-F1217 HydrophobicContact CG-CD1 4.5Å; F1177-F1217 AromaticContact CZ-CD1 3.62Å; F1177-F1217 HydrophobicContact CZ-CD1 3.62Å; F1177-F1217 AromaticContact CZ-CE1 3.21Å; F1177-F1217 HydrophobicContact CZ-CE1 3.21Å; F1177-F1217 AromaticContact CZ-CZ 3.9Å; F1177-F1217 HydrophobicContact CZ-CZ 3.9Å; L1187-F1217 HydrophobicContact CD1-CB 3.99Å; L1187-F1217 HydrophobicContact CD1-CD1 3.5Å; L1187-F1217 HydrophobicContact CD1-CE1 4.44Å; L1187-F1217 HydrophobicContact CD1-CG 4.2Å; F1190-F1217 HydrophobicContact CB-CE1 4.35Å; F1190-F1217 HydrophobicContact CB-CZ 4.44Å; T1191-F1217 HydrophobicContact CG2-CB 3.3Å; T1191-F1217 HydrophobicContact CG2-CD2 4.36Å; T1191-F1217 HydrophobicContact CG2-CG 3.89Å; I1194-F1217 HydrophobicContact CD1-CD2 3.79Å; I1194-F1217 HydrophobicContact CD1-CE2 3.34Å; I1194-F1217 HydrophobicContact CD1-CZ 4.18Å; S1213-F1217 WeakPolarHBondContact O-CD2 3.24Å; S1213-F1217 PolarHBondContact O-N 3.41Å; V1214-F1217 PolarHBondContact O-N 3.01Å; Y1215-F1217 VanDerWaalsContact C-N 3.31Å; Y1215-F1217 PolarHBondContact O-N 3.47Å; F1217-A1219 VanDerWaalsContact C-N 3.3Å; F1217-A1219 PolarHBondContact O-N 3.29Å; F1217-S1220 PolarHBondContact O-N 3.48Å; F1217-S1220 VanDerWaalsContact O-N 3.12Å; F1217-S1220 PolarHBondContact O-OG 3.17Å; F1217-F1221 WeakPolarHBondContact O-CD2 3.23Å |
| 1218 | A | 74.6 | Confident | 64.4 | Low | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -60 | -38.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | V1214 Y1215 S1220 F1221 L1262 F1265 F1308 | V1214-A1218 WeakPolarHBondContact O-CB 3.41Å; V1214-A1218 PolarHBondContact O-N 2.99Å; Y1215-A1218 PolarHBondContact O-N 3.33Å; A1218-S1220 PolarHBondContact O-N 2.96Å; A1218-S1220 VanDerWaalsContact O-N 3.09Å; A1218-F1221 PolarHBondContact O-N 3.36Å; A1218-L1262 HydrophobicContact CB-CD2 3.8Å; A1218-F1265 HydrophobicContact CB-CB 4.03Å; A1218-F1265 HydrophobicContact CB-CD1 3.88Å; A1218-F1265 HydrophobicContact CB-CD2 3.7Å; A1218-F1265 HydrophobicContact CB-CE1 4.25Å; A1218-F1265 HydrophobicContact CB-CE2 4.06Å; A1218-F1265 HydrophobicContact CB-CG 3.58Å; A1218-F1265 HydrophobicContact CB-CZ 4.33Å; A1218-F1308 HydrophobicContact CB-CE2 4.3Å; A1218-F1308 HydrophobicContact CB-CZ 3.72Å |
| 1219 | A | 74.1 | Confident | 61.9 | Low | 30 Ų | 30 | 55.9 Ų | 55.9 | 25% | 0.248 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -7.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y1215 F1217 A1261 L1262 | Y1215-A1219 WeakPolarHBondContact O-CB 3.43Å; Y1215-A1219 PolarHBondContact O-N 2.92Å; F1217-A1219 VanDerWaalsContact C-N 3.3Å; F1217-A1219 PolarHBondContact O-N 3.29Å; A1219-A1261 WeakPolarHBondContact O-CB 3.48Å; A1219-L1262 HydrophobicContact CB-CD2 4.48Å |
| 1220 | S | 70.3 | Confident | 59.4 | Low | 5 Ų | 5 | 59.6 Ų | 59.6 | 4% | 0.035 | 34% | 0.336 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -110.5 | -3.8 | -175.9 | 66.3 | 0 | 0 | 0 | 0 | 115.3 | F1177 N1183 F1217 A1218 T1222 | F1177-S1220 WeakPolarHBondContact CB-OG 3.16Å; N1183-S1220 PolarHBondContact ND2-O 3.22Å; F1217-S1220 PolarHBondContact O-N 3.48Å; F1217-S1220 VanDerWaalsContact O-N 3.12Å; F1217-S1220 PolarHBondContact O-OG 3.17Å; A1218-S1220 PolarHBondContact O-N 2.96Å; A1218-S1220 VanDerWaalsContact O-N 3.09Å; S1220-T1222 PolarHBondContact O-N 3.03Å |
| 1221 | F | 68.4 | Low | 56.8 | Low | 13 Ų | 13 | 65 Ų | 65 | 6% | 0.057 | 37% | 0.373 | C | S | . | . | trans | -66.8 | 119.5 | 176.1 | -81.4 | -89.9 | 0 | 0 | 0 | 110.9 | L1187 T1191 F1217 A1218 A1261 H1264 F1265 F1269 | L1187-F1221 HydrophobicContact CD2-CD1 3.92Å; L1187-F1221 HydrophobicContact CD2-CD2 3.83Å; L1187-F1221 HydrophobicContact CD2-CE1 3.95Å; L1187-F1221 HydrophobicContact CD2-CE2 3.87Å; L1187-F1221 HydrophobicContact CD2-CG 3.87Å; L1187-F1221 HydrophobicContact CD2-CZ 3.94Å; L1187-F1221 HydrophobicContact CG-CD2 4.38Å; L1187-F1221 HydrophobicContact CG-CE1 4.17Å; L1187-F1221 HydrophobicContact CG-CE2 3.91Å; L1187-F1221 HydrophobicContact CG-CZ 3.8Å; T1191-F1221 HydrophobicContact CG2-CE2 4.04Å; T1191-F1221 HydrophobicContact CG2-CZ 4.27Å; F1217-F1221 WeakPolarHBondContact O-CD2 3.23Å; A1218-F1221 PolarHBondContact O-N 3.36Å; F1221-A1261 WeakPolarHBondContact O-CA 3.02Å; F1221-A1261 WeakPolarHBondContact O-CB 3.45Å; F1221-H1264 HydrophobicContact CB-CB 4.41Å; F1221-F1265 HydrophobicContact CD2-CB 4.2Å; F1221-F1265 HydrophobicContact CD2-CD2 4Å; F1221-F1265 AromaticContact CE2-CD2 3.76Å; F1221-F1265 HydrophobicContact CE2-CD2 3.76Å; F1221-F1265 HydrophobicContact CE2-CE2 4.46Å; F1221-F1265 HydrophobicContact CZ-CD2 4.49Å; F1221-F1269 HydrophobicContact CE1-CB 4.19Å; F1221-F1269 AromaticContact CE1-CD2 3.88Å; F1221-F1269 HydrophobicContact CE1-CD2 3.88Å; F1221-F1269 HydrophobicContact CE1-CG 4.15Å; F1221-F1269 HydrophobicContact CZ-CB 4.28Å; F1221-F1269 HydrophobicContact CZ-CD1 4.46Å; F1221-F1269 AromaticContact CZ-CD2 3.72Å; F1221-F1269 HydrophobicContact CZ-CD2 3.72Å; F1221-F1269 HydrophobicContact CZ-CE2 4.16Å; F1221-F1269 AromaticContact CZ-CG 3.88Å; F1221-F1269 HydrophobicContact CZ-CG 3.88Å | ||
| 1222 | T | 58 | Low | 54.2 | Low | 51 Ų | 51 | 72.2 Ų | 72.2 | 31% | 0.313 | 41% | 0.411 | S | S | . | . | trans | -127.5 | 145.6 | 179.3 | 52.4 | 0 | 0 | 0 | 0 | 112.3 | M1128 S1220 | M1128-T1222 WeakPolarHBondContact CE-OG1 3.17Å; S1220-T1222 PolarHBondContact O-N 3.03Å | ||
| 1223 | H | 49.4 | Very low | 51.6 | Low | 123 Ų | 123 | 74.1 Ų | 74.1 | 57% | 0.569 | 43% | 0.432 | S | S | * | . | trans | -76.7 | 120.7 | -172.1 | -163.1 | -88.3 | 0 | 0 | 0 | 112.8 | S1225 H1264 | H1223-S1225 PolarHBondContact CE1-O 3.28Å; H1223-S1225 VanDerWaalsContact CE1-O 3.29Å; H1223-H1264 AromaticContact CD2-CD2 3.76Å; H1223-H1264 AromaticContact CD2-NE2 3.64Å | ||
| 1224 | L | 38.4 | Very low | 49 | Very low | 74 Ų | 74 | 80.2 Ų | 80.2 | 39% | 0.387 | 48% | 0.475 | S | S | . | . | trans | -82.6 | 144.4 | 157.2 | -78.8 | 83.5 | 0 | 0 | 0 | 109.1 | Y1180 | Y1180-L1224 HydrophobicContact CD2-CD2 4.4Å; Y1180-L1224 HydrophobicContact CE2-CD1 4.24Å; Y1180-L1224 HydrophobicContact CE2-CD2 3.33Å; Y1180-L1224 HydrophobicContact CE2-CG 3.87Å; Y1180-L1224 WeakPolarHBondContact OH-CD2 3.13Å | ||
| 1225 | S | 31.5 | Very low | 46.6 | Very low | 90 Ų | 90 | 83.8 Ų | 83.8 | 63% | 0.629 | 51% | 0.511 | S | S | * | . | trans | 92.6 | 89.9 | 171.3 | 75.7 | 0 | 0 | 0 | 0 | 117.2 | H1223 | H1223-S1225 PolarHBondContact CE1-O 3.28Å; H1223-S1225 VanDerWaalsContact CE1-O 3.29Å | ||
| 1226 | C | 27.3 | Very low | 44 | Very low | 121 Ų | 121 | 89.8 Ų | 89.8 | 82% | 0.818 | 55% | 0.545 | S | S | * | . | trans | -80.1 | 119.2 | 139.1 | -86.9 | 0 | 0 | 0 | 0 | 106.6 | Q1228 | C1226-Q1228 PolarHBondContact O-N 3.07Š| ||
| 1227 | P | 28.8 | Very low | 41.5 | Very low | 115 Ų | 115 | 92.9 Ų | 92.9 | 75% | 0.747 | 57% | 0.567 | S | S | * | * | trans | -68.9 | 105.8 | 166.3 | 15.9 | -7.5 | 0 | 0 | 0 | 107.4 | N1229 | P1227-N1229 PolarHBondContact O-N 2.59Š| ||
| 1228 | Q | 27.4 | Very low | 39 | Very low | 174 Ų | 174 | 100.3 Ų | 100.3 | 81% | 0.813 | 61% | 0.607 | S | S | * | * | trans | -60.9 | 131.5 | 159.9 | -77.3 | 178 | -29.9 | 0 | 0 | 107.6 | C1226 | C1226-Q1228 PolarHBondContact O-N 3.07Š| ||
| 1229 | N | 27.7 | Very low | 36.8 | Very low | 155 Ų | 155 | 105.7 Ų | 105.7 | 83% | 0.829 | 64% | 0.644 | S | S | * | * | trans | 85.9 | 82.1 | 170.6 | -50.7 | -17.4 | 0 | 0 | 0 | 116.2 | P1227 | P1227-N1229 PolarHBondContact O-N 2.59Š| ||
| 1230 | S | 27.2 | Very low | 34.5 | Very low | 114 Ų | 114 | 109.8 Ų | 109.8 | 80% | 0.797 | 67% | 0.671 | S | S | * | * | trans | -141.5 | 70.7 | 136.6 | 46.2 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 1231 | C | 25.6 | Very low | 32.4 | Very low | 116 Ų | 116 | 116 Ų | 116 | 78% | 0.784 | 70% | 0.704 | S | S | * | * | trans | -68 | 138.4 | 147.1 | -75 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 1232 | D | 26.6 | Very low | 30.5 | Very low | 156 Ų | 156 | 123.1 Ų | 123.1 | 83% | 0.834 | 74% | 0.743 | S | S | * | * | trans | 106.2 | 88.6 | 170.1 | -53.3 | -16.9 | 0 | 0 | 0 | 114.2 | ||||
| 1233 | S | 27.4 | Very low | 29 | Very low | 112 Ų | 112 | 128 Ų | 128 | 78% | 0.783 | 76% | 0.762 | S | S | * | * | -175.8 | 109.3 | 110.7 | 56.6 | 0 | 0 | 0 | 0 | 109.4 | G1235 | S1233-G1235 PolarHBondContact O-N 3.41Š| |||
| 1234 | S | 27.2 | Very low | 27.8 | Very low | 130 Ų | 130 | 131.9 Ų | 131.9 | 91% | 0.909 | 78% | 0.777 | S | S | * | * | trans | -46.5 | 124.3 | 153.8 | 47.8 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1235 | G | 30.2 | Very low | 27.4 | Very low | 74 Ų | 74 | 134.3 Ų | 134.3 | 76% | 0.763 | 80% | 0.795 | S | S | * | * | trans | -155.6 | 101.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | S1233 | S1233-G1235 PolarHBondContact O-N 3.41Š| ||
| 1236 | D | 27.7 | Very low | 27.3 | Very low | 156 Ų | 156 | 137.1 Ų | 137.1 | 83% | 0.834 | 80% | 0.802 | S | S | * | * | trans | -35.3 | 129.5 | -174.4 | -67.2 | -51.8 | 0 | 0 | 0 | 119.5 | ||||
| 1237 | N | 25.9 | Very low | 27.2 | Very low | 141 Ų | 141 | 139.1 Ų | 139.1 | 75% | 0.754 | 80% | 0.804 | S | S | * | * | 7.7 | 115.8 | 129.3 | -66.9 | -23.3 | 0 | 0 | 0 | 117.8 | |||||
| 1238 | N | 26.2 | Very low | 27.2 | Very low | 157 Ų | 157 | 140.4 Ų | 140.4 | 84% | 0.84 | 81% | 0.805 | S | S | * | * | 156.3 | 104.8 | 115.9 | -81.6 | -26.9 | 0 | 0 | 0 | 111.2 | |||||
| 1239 | S | 27.6 | Very low | 27.2 | Very low | 113 Ų | 113 | 139.9 Ų | 139.9 | 79% | 0.79 | 81% | 0.808 | S | S | * | * | S | Bend | trans | -179.3 | 124.8 | 130.8 | 54.5 | 0 | 0 | 0 | 0 | 112.1 | ||
| 1240 | S | 26.5 | Very low | 27.3 | Very low | 116 Ų | 116 | 137.4 Ų | 137.4 | 81% | 0.811 | 80% | 0.802 | S | S | * | * | trans | 61.1 | 96.9 | 155.3 | 57.5 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 1241 | N | 25.4 | Very low | 27.5 | Very low | 136 Ų | 136 | 139.3 Ų | 139.3 | 73% | 0.727 | 80% | 0.804 | S | S | * | * | trans | -55.1 | 127.2 | 151.9 | -70.8 | -26.1 | 0 | 0 | 0 | 111.2 | ||||
| 1242 | D | 28.5 | Very low | 27.8 | Very low | 161 Ų | 161 | 139.3 Ų | 139.3 | 86% | 0.861 | 80% | 0.796 | S | S | * | * | trans | -125 | 112.5 | 144.3 | -91.6 | -30.9 | 0 | 0 | 0 | 108.3 | F1244 | D1242-F1244 PolarHBondContact O-N 2.81Š| ||
| 1243 | H | 25.8 | Very low | 28.4 | Very low | 155 Ų | 155 | 137.4 Ų | 137.4 | 72% | 0.718 | 79% | 0.786 | S | S | * | * | trans | -71.2 | 113.5 | -173.7 | -82.3 | -87 | 0 | 0 | 0 | 111.8 | ||||
| 1244 | F | 25.7 | Very low | 29 | Very low | 203 Ų | 203 | 138.9 Ų | 138.9 | 89% | 0.89 | 79% | 0.785 | S | S | * | * | trans | -108.1 | 102.8 | 152.6 | -86.3 | -82.5 | 0 | 0 | 0 | 109 | D1242 I1246 | D1242-F1244 PolarHBondContact O-N 2.81Å; F1244-I1246 PolarHBondContact O-N 2.9Å | ||
| 1245 | T | 28.1 | Very low | 29.6 | Very low | 126 Ų | 126 | 136.3 Ų | 136.3 | 77% | 0.773 | 76% | 0.761 | S | S | * | * | trans | -65.9 | 112.9 | 177.3 | 42.8 | 0 | 0 | 0 | 0 | 110.9 | N1247 | T1245-N1247 PolarHBondContact O-N 3.32Š| ||
| 1246 | I | 29.4 | Very low | 30.2 | Very low | 149 Ų | 149 | 139 Ų | 139 | 76% | 0.764 | 75% | 0.754 | S | S | * | * | trans | -71.5 | 113.9 | 172.1 | -65.1 | 167.6 | 0 | 0 | 0 | 108.6 | F1244 N1248 | F1244-I1246 PolarHBondContact O-N 2.9Å; I1246-N1248 PolarHBondContact O-N 3.2Å | ||
| 1247 | N | 26.1 | Very low | 31 | Very low | 162 Ų | 162 | 138.2 Ų | 138.2 | 87% | 0.866 | 75% | 0.745 | S | S | * | * | trans | -78.3 | 105.5 | 171.8 | -115.1 | -8.3 | 0 | 0 | 0 | 109.1 | T1245 N1249 | T1245-N1247 PolarHBondContact O-N 3.32Å; N1247-N1249 PolarHBondContact O-N 2.96Å; N1247-N1249 VanDerWaalsContact O-N 3.17Å | ||
| 1248 | N | 28.4 | Very low | 32 | Very low | 142 Ų | 142 | 136.4 Ų | 136.4 | 76% | 0.759 | 73% | 0.732 | S | S | * | * | trans | -64.4 | 104.1 | 171.6 | -80 | -27.3 | 0 | 0 | 0 | 110.6 | I1246 | I1246-N1248 PolarHBondContact O-N 3.2Š| ||
| 1249 | N | 28.3 | Very low | 33.3 | Very low | 163 Ų | 163 | 130.9 Ų | 130.9 | 87% | 0.872 | 71% | 0.705 | S | S | * | * | trans | -134.4 | 82.8 | 155.7 | -95.6 | -17.5 | 0 | 0 | 0 | 108.7 | N1247 N1251 | N1247-N1249 PolarHBondContact O-N 2.96Å; N1247-N1249 VanDerWaalsContact O-N 3.17Å; N1249-N1251 PolarHBondContact O-N 3.11Å | ||
| 1250 | S | 30 | Very low | 34.8 | Very low | 103 Ų | 103 | 130.3 Ų | 130.3 | 72% | 0.72 | 69% | 0.694 | S | S | * | * | trans | -69.8 | 110.3 | 172.6 | 52.6 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1251 | N | 30.5 | Very low | 36.5 | Very low | 154 Ų | 154 | 125 Ų | 125 | 82% | 0.824 | 66% | 0.656 | S | S | * | * | trans | -171.6 | 15.8 | 148.7 | -99 | -9.8 | 0 | 0 | 0 | 115.6 | N1249 | N1249-N1251 PolarHBondContact O-N 3.11Š| ||
| 1252 | N | 32.7 | Very low | 38.6 | Very low | 117 Ų | 117 | 119.2 Ų | 119.2 | 63% | 0.626 | 63% | 0.625 | S | S | * | * | trans | -121.7 | 53.6 | -178.6 | -89.7 | -14.6 | 0 | 0 | 0 | 113.2 | N1254 N1255 | N1252-N1254 PolarHBondContact O-N 2.96Å; N1252-N1254 VanDerWaalsContact O-N 3.17Å; N1252-N1255 PolarHBondContact O-N 3.47Å | ||
| 1253 | N | 38.4 | Very low | 40.5 | Very low | 116 Ų | 116 | 116.5 Ų | 116.5 | 62% | 0.62 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.1 | -15.7 | -175.1 | -71.3 | 9.1 | 0 | 0 | 0 | 114.9 | N1255 | N1253-N1255 VanDerWaalsContact C-N 3.33Š|
| 1254 | N | 40.8 | Very low | 42.5 | Very low | 143 Ų | 143 | 111 Ų | 111 | 77% | 0.765 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.9 | -15.1 | 175.6 | -76.3 | -6.2 | 0 | 0 | 0 | 113.4 | N1252 | N1252-N1254 PolarHBondContact O-N 2.96Å; N1252-N1254 VanDerWaalsContact O-N 3.17Å |
| 1255 | N | 39.5 | Very low | 44.8 | Very low | 76 Ų | 76 | 101.3 Ų | 101.3 | 41% | 0.406 | 54% | 0.538 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86 | -25.5 | -175.7 | -76.5 | -27.7 | 0 | 0 | 0 | 113.7 | N1252 N1253 K1303 | N1252-N1255 PolarHBondContact O-N 3.47Å; N1253-N1255 VanDerWaalsContact C-N 3.33Å; N1255-K1303 PolarHBondContact OD1-NZ 2.99Å |
| 1256 | E | 42.6 | Very low | 47 | Very low | 129 Ų | 129 | 95.3 Ų | 95.3 | 60% | 0.603 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -72.3 | -27.7 | -178.2 | -71.4 | -177.3 | 163.1 | 0 | 0 | 113.6 | Q1258 S1259 N1260 | E1256-Q1258 PolarHBondContact O-N 3.18Å; E1256-S1259 PolarHBondContact O-OG 2.84Å; E1256-N1260 VanDerWaalsContact O-CG 3.32Å; E1256-N1260 PolarHBondContact O-N 3.03Å |
| 1257 | H | 43.9 | Very low | 49 | Very low | 141 Ų | 141 | 92.2 Ų | 92.2 | 65% | 0.653 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -69 | -34.1 | -177.7 | -74 | -50.5 | 0 | 0 | 0 | 113.4 | ||
| 1258 | Q | 46.6 | Very low | 51.2 | Low | 103 Ų | 103 | 88.9 Ų | 88.9 | 48% | 0.481 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -76.7 | -36.1 | 179.5 | -75.9 | -178.7 | -25 | 0 | 0 | 112.8 | E1256 N1260 A1261 | E1256-Q1258 PolarHBondContact O-N 3.18Å; Q1258-N1260 VanDerWaalsContact C-N 3.27Å; Q1258-N1260 PolarHBondContact O-N 3.41Å; Q1258-A1261 PolarHBondContact O-N 2.95Å |
| 1259 | S | 54.3 | Low | 53.6 | Low | 40 Ų | 40 | 82.8 Ų | 82.8 | 28% | 0.28 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -64.2 | -34.6 | 176.3 | 50.8 | 0 | 0 | 0 | 0 | 111.9 | E1256 A1261 F1263 | E1256-S1259 PolarHBondContact O-OG 2.84Å; S1259-A1261 VanDerWaalsContact C-N 3.3Å; S1259-A1261 PolarHBondContact O-N 3.26Å; S1259-F1263 WeakPolarHBondContact O-CB 3.3Å; S1259-F1263 PolarHBondContact O-N 3.37Å |
| 1260 | N | 59.4 | Low | 56.1 | Low | 102 Ų | 102 | 75 Ų | 75 | 55% | 0.545 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -68.3 | -28.2 | 178.2 | -71.1 | -5.1 | 0 | 0 | 0 | 112.9 | E1256 Q1258 H1264 | E1256-N1260 VanDerWaalsContact O-CG 3.32Å; E1256-N1260 PolarHBondContact O-N 3.03Å; Q1258-N1260 VanDerWaalsContact C-N 3.27Å; Q1258-N1260 PolarHBondContact O-N 3.41Å; N1260-H1264 PolarHBondContact O-N 3.13Å; N1260-H1264 VanDerWaalsContact O-N 3.11Å |
| 1261 | A | 62.3 | Low | 58.5 | Low | 3 Ų | 3 | 71.7 Ų | 71.7 | 3% | 0.025 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -74.7 | -45.5 | -178 | 0 | 0 | 0 | 0 | 0 | 112.9 | A1219 F1221 Q1258 S1259 F1263 H1264 F1265 | A1219-A1261 WeakPolarHBondContact O-CB 3.48Å; F1221-A1261 WeakPolarHBondContact O-CA 3.02Å; F1221-A1261 WeakPolarHBondContact O-CB 3.45Å; Q1258-A1261 PolarHBondContact O-N 2.95Å; S1259-A1261 VanDerWaalsContact C-N 3.3Å; S1259-A1261 PolarHBondContact O-N 3.26Å; A1261-F1263 VanDerWaalsContact C-N 3.27Å; A1261-F1263 PolarHBondContact O-N 3.33Å; A1261-H1264 WeakPolarHBondContact O-CB 3.41Å; A1261-H1264 PolarHBondContact O-N 3.21Å; A1261-H1264 VanDerWaalsContact O-N 3.11Å; A1261-F1265 PolarHBondContact O-N 3.35Å |
| 1262 | L | 69.8 | Low | 60.8 | Low | 15 Ų | 15 | 67.4 Ų | 67.4 | 8% | 0.079 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -60.8 | -40.5 | 172.8 | -71.4 | 172.4 | 0 | 0 | 0 | 110.9 | Y1215 A1218 A1219 H1264 F1265 V1266 L1300 F1308 | Y1215-L1262 HydrophobicContact CE2-CD1 4.28Å; Y1215-L1262 HydrophobicContact CE2-CD2 4.48Å; A1218-L1262 HydrophobicContact CB-CD2 3.8Å; A1219-L1262 HydrophobicContact CB-CD2 4.48Å; L1262-H1264 VanDerWaalsContact C-N 3.28Å; L1262-H1264 PolarHBondContact O-N 3.41Å; L1262-F1265 WeakPolarHBondContact O-CB 3.4Å; L1262-F1265 PolarHBondContact O-N 2.96Å; L1262-V1266 WeakPolarHBondContact O-CG2 3.27Å; L1262-V1266 PolarHBondContact O-N 2.9Å; L1262-V1266 VanDerWaalsContact O-N 3.09Å; L1262-L1300 HydrophobicContact CB-CD2 3.84Å; L1262-L1300 HydrophobicContact CD1-CD2 4.27Å; L1262-F1308 HydrophobicContact CD2-CD2 4.3Å; L1262-F1308 HydrophobicContact CD2-CE2 3.97Å |
| 1263 | F | 67.9 | Low | 63.1 | Low | 105 Ų | 105 | 61.9 Ų | 61.9 | 46% | 0.461 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -57.5 | -41.6 | 174.7 | -172.1 | -103.5 | 0 | 0 | 0 | 112.2 | S1259 A1261 V1266 Q1267 | S1259-F1263 WeakPolarHBondContact O-CB 3.3Å; S1259-F1263 PolarHBondContact O-N 3.37Å; A1261-F1263 VanDerWaalsContact C-N 3.27Å; A1261-F1263 PolarHBondContact O-N 3.33Å; F1263-V1266 PolarHBondContact O-N 2.97Å; F1263-Q1267 HydrophobicContact CD1-CG 4.22Å; F1263-Q1267 HydrophobicContact CE1-CG 3.95Å; F1263-Q1267 HydrophobicContact CE2-CG 4.31Å; F1263-Q1267 HydrophobicContact CZ-CG 4.01Å; F1263-Q1267 WeakPolarHBondContact O-CB 3.15Å; F1263-Q1267 WeakPolarHBondContact O-CG 3.49Å; F1263-Q1267 PolarHBondContact O-N 3.28Å |
| 1264 | H | 67 | Low | 65.1 | Low | 38 Ų | 38 | 56.4 Ų | 56.4 | 18% | 0.176 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -68.2 | -39.5 | 177.4 | -167.5 | -73.8 | 0 | 0 | 0 | 113.1 | F1221 H1223 N1260 A1261 L1262 V1266 Q1267 H1268 | F1221-H1264 HydrophobicContact CB-CB 4.41Å; H1223-H1264 AromaticContact CD2-CD2 3.76Å; H1223-H1264 AromaticContact CD2-NE2 3.64Å; N1260-H1264 PolarHBondContact O-N 3.13Å; N1260-H1264 VanDerWaalsContact O-N 3.11Å; A1261-H1264 WeakPolarHBondContact O-CB 3.41Å; A1261-H1264 PolarHBondContact O-N 3.21Å; A1261-H1264 VanDerWaalsContact O-N 3.11Å; L1262-H1264 VanDerWaalsContact C-N 3.28Å; L1262-H1264 PolarHBondContact O-N 3.41Å; H1264-V1266 VanDerWaalsContact C-N 3.26Å; H1264-V1266 PolarHBondContact O-N 3.41Å; H1264-Q1267 PolarHBondContact O-N 3.03Å; H1264-H1268 AromaticContact CD2-CD2 3.45Å; H1264-H1268 PolarHBondContact CD2-CD2 2.95Å; H1264-H1268 VanDerWaalsContact CD2-CD2 3.45Å; H1264-H1268 AromaticContact CE1-CD2 3.72Å; H1264-H1268 AromaticContact CE1-CG 3.94Å; H1264-H1268 AromaticContact CG-CD2 3.83Å; H1264-H1268 AromaticContact ND1-CD2 3.99Å; H1264-H1268 AromaticContact NE2-CD2 3.39Å; H1264-H1268 PolarHBondContact NE2-CD2 2.96Å; H1264-H1268 AromaticContact NE2-CG 3.95Å; H1264-H1268 PolarHBondContact O-N 3.49Å |
| 1265 | F | 75.5 | Confident | 66.9 | Low | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 28% | 0.276 | C | S | . | . | I | π-helix | trans | -55.7 | -44.8 | 172.6 | 171.9 | -96.7 | 0 | 0 | 0 | 110.9 | V1214 A1218 F1221 A1261 L1262 F1269 L1270 F1308 I1312 | V1214-F1265 HydrophobicContact CG1-CZ 4.07Å; A1218-F1265 HydrophobicContact CB-CB 4.03Å; A1218-F1265 HydrophobicContact CB-CD1 3.88Å; A1218-F1265 HydrophobicContact CB-CD2 3.7Å; A1218-F1265 HydrophobicContact CB-CE1 4.25Å; A1218-F1265 HydrophobicContact CB-CE2 4.06Å; A1218-F1265 HydrophobicContact CB-CG 3.58Å; A1218-F1265 HydrophobicContact CB-CZ 4.33Å; F1221-F1265 HydrophobicContact CD2-CB 4.2Å; F1221-F1265 HydrophobicContact CD2-CD2 4Å; F1221-F1265 AromaticContact CE2-CD2 3.76Å; F1221-F1265 HydrophobicContact CE2-CD2 3.76Å; F1221-F1265 HydrophobicContact CE2-CE2 4.46Å; F1221-F1265 HydrophobicContact CZ-CD2 4.49Å; A1261-F1265 PolarHBondContact O-N 3.35Å; L1262-F1265 WeakPolarHBondContact O-CB 3.4Å; L1262-F1265 PolarHBondContact O-N 2.96Å; F1265-F1269 HydrophobicContact CD2-CB 4.22Å; F1265-F1269 AromaticContact CD2-CD1 3.58Å; F1265-F1269 HydrophobicContact CD2-CD1 3.58Å; F1265-F1269 HydrophobicContact CD2-CE1 4.31Å; F1265-F1269 HydrophobicContact CD2-CG 4.16Å; F1265-F1269 AromaticContact CE2-CD1 3.33Å; F1265-F1269 HydrophobicContact CE2-CD1 3.33Å; F1265-F1269 AromaticContact CE2-CE1 3.67Å; F1265-F1269 HydrophobicContact CE2-CE1 3.67Å; F1265-F1269 HydrophobicContact CE2-CG 4.32Å; F1265-F1269 HydrophobicContact CZ-CD1 4.17Å; F1265-F1269 HydrophobicContact CZ-CE1 4.44Å; F1265-F1269 WeakPolarHBondContact O-CB 3.3Å; F1265-F1269 PolarHBondContact O-N 3.29Å; F1265-L1270 HydrophobicContact CE1-CD1 4.4Å; F1265-L1270 HydrophobicContact CZ-CD1 4.35Å; F1265-L1270 PolarHBondContact O-N 3.29Å; F1265-F1308 HydrophobicContact CD1-CE2 4.42Å; F1265-F1308 HydrophobicContact CD1-CZ 4.38Å; F1265-F1308 HydrophobicContact CE1-CE2 4.32Å; F1265-F1308 AromaticContact CE1-CZ 3.99Å; F1265-F1308 HydrophobicContact CE1-CZ 3.99Å; F1265-I1312 HydrophobicContact CE1-CD1 4.42Å; F1265-I1312 HydrophobicContact CZ-CD1 4.49Å |
| 1266 | V | 72.6 | Confident | 68.7 | Low | 1 Ų | 1 | 55.5 Ų | 55.5 | 1% | 0.006 | 29% | 0.286 | C | S | . | . | I | π-helix | trans | -74.4 | -39.1 | -178.4 | -175.5 | 0 | 0 | 0 | 0 | 112.8 | L1262 F1263 H1264 P1271 F1292 Y1293 | L1262-V1266 WeakPolarHBondContact O-CG2 3.27Å; L1262-V1266 PolarHBondContact O-N 2.9Å; L1262-V1266 VanDerWaalsContact O-N 3.09Å; F1263-V1266 PolarHBondContact O-N 2.97Å; H1264-V1266 VanDerWaalsContact C-N 3.26Å; H1264-V1266 PolarHBondContact O-N 3.41Å; V1266-P1271 VanDerWaalsContact O-CD 3.29Å; V1266-P1271 WeakPolarHBondContact O-CD 3.1Å; V1266-F1292 HydrophobicContact CB-CE1 4.47Å; V1266-F1292 HydrophobicContact CG1-CD1 3.9Å; V1266-F1292 HydrophobicContact CG1-CE1 4.07Å; V1266-F1292 HydrophobicContact CG2-CD1 4.24Å; V1266-F1292 HydrophobicContact CG2-CE1 3.56Å; V1266-Y1293 HydrophobicContact CG1-CD1 3.9Å; V1266-Y1293 HydrophobicContact CG1-CE1 3.38Å; V1266-Y1293 HydrophobicContact CG1-CE2 4.48Å; V1266-Y1293 PolarHBondContact O-OH 2.93Å |
| 1267 | Q | 71.6 | Confident | 70.3 | Confident | 84 Ų | 84 | 49.5 Ų | 49.5 | 39% | 0.393 | 26% | 0.258 | S | S | . | . | I | π-helix | trans | -80.3 | -33.9 | -176.6 | -76.5 | -157.4 | -29.8 | 0 | 0 | 114.7 | F1263 H1264 P1271 | F1263-Q1267 HydrophobicContact CD1-CG 4.22Å; F1263-Q1267 HydrophobicContact CE1-CG 3.95Å; F1263-Q1267 HydrophobicContact CE2-CG 4.31Å; F1263-Q1267 HydrophobicContact CZ-CG 4.01Å; F1263-Q1267 WeakPolarHBondContact O-CB 3.15Å; F1263-Q1267 WeakPolarHBondContact O-CG 3.49Å; F1263-Q1267 PolarHBondContact O-N 3.28Å; H1264-Q1267 PolarHBondContact O-N 3.03Å; Q1267-P1271 WeakPolarHBondContact O-CG 3.21Å |
| 1268 | H | 72.8 | Confident | 71.7 | Confident | 92 Ų | 92 | 44.6 Ų | 44.6 | 43% | 0.426 | 25% | 0.246 | S | C | . | . | I | π-helix | trans | -115.7 | -51.3 | -171.2 | -65.7 | -68.8 | 0 | 0 | 0 | 112.5 | H1264 S1272 | H1264-H1268 AromaticContact CD2-CD2 3.45Å; H1264-H1268 PolarHBondContact CD2-CD2 2.95Å; H1264-H1268 VanDerWaalsContact CD2-CD2 3.45Å; H1264-H1268 AromaticContact CE1-CD2 3.72Å; H1264-H1268 AromaticContact CE1-CG 3.94Å; H1264-H1268 AromaticContact CG-CD2 3.83Å; H1264-H1268 AromaticContact ND1-CD2 3.99Å; H1264-H1268 AromaticContact NE2-CD2 3.39Å; H1264-H1268 PolarHBondContact NE2-CD2 2.96Å; H1264-H1268 AromaticContact NE2-CG 3.95Å; H1264-H1268 PolarHBondContact O-N 3.49Å; H1268-S1272 WeakPolarHBondContact O-CB 3.39Å; H1268-S1272 PolarHBondContact O-N 3.45Å; H1268-S1272 PolarHBondContact O-OG 2.85Å |
| 1269 | F | 79.8 | Confident | 73.1 | Confident | 14 Ų | 14 | 44.1 Ų | 44.1 | 6% | 0.061 | 25% | 0.246 | C | C | . | . | I | π-helix | trans | -70.7 | -53.2 | -175.5 | 177.5 | -94.2 | 0 | 0 | 0 | 111.5 | T1191 T1192 L1195 F1221 F1265 S1272 Y1273 | T1191-F1269 VanDerWaalsContact OG1-CE2 3.29Å; T1191-F1269 WeakPolarHBondContact OG1-CE2 3.2Å; T1191-F1269 WeakPolarHBondContact OG1-CZ 3.49Å; T1192-F1269 HydrophobicContact CG2-CE2 3.84Å; T1192-F1269 HydrophobicContact CG2-CZ 3.57Å; L1195-F1269 HydrophobicContact CD1-CE1 3.91Å; F1221-F1269 HydrophobicContact CE1-CB 4.19Å; F1221-F1269 AromaticContact CE1-CD2 3.88Å; F1221-F1269 HydrophobicContact CE1-CD2 3.88Å; F1221-F1269 HydrophobicContact CE1-CG 4.15Å; F1221-F1269 HydrophobicContact CZ-CB 4.28Å; F1221-F1269 HydrophobicContact CZ-CD1 4.46Å; F1221-F1269 AromaticContact CZ-CD2 3.72Å; F1221-F1269 HydrophobicContact CZ-CD2 3.72Å; F1221-F1269 HydrophobicContact CZ-CE2 4.16Å; F1221-F1269 AromaticContact CZ-CG 3.88Å; F1221-F1269 HydrophobicContact CZ-CG 3.88Å; F1265-F1269 HydrophobicContact CD2-CB 4.22Å; F1265-F1269 AromaticContact CD2-CD1 3.58Å; F1265-F1269 HydrophobicContact CD2-CD1 3.58Å; F1265-F1269 HydrophobicContact CD2-CE1 4.31Å; F1265-F1269 HydrophobicContact CD2-CG 4.16Å; F1265-F1269 AromaticContact CE2-CD1 3.33Å; F1265-F1269 HydrophobicContact CE2-CD1 3.33Å; F1265-F1269 AromaticContact CE2-CE1 3.67Å; F1265-F1269 HydrophobicContact CE2-CE1 3.67Å; F1265-F1269 HydrophobicContact CE2-CG 4.32Å; F1265-F1269 HydrophobicContact CZ-CD1 4.17Å; F1265-F1269 HydrophobicContact CZ-CE1 4.44Å; F1265-F1269 WeakPolarHBondContact O-CB 3.3Å; F1265-F1269 PolarHBondContact O-N 3.29Å; F1269-S1272 PolarHBondContact O-N 3.32Å; F1269-S1272 VanDerWaalsContact O-N 3.11Å; F1269-S1272 PolarHBondContact O-OG 3.45Å; F1269-Y1273 WeakPolarHBondContact O-CB 3.3Å; F1269-Y1273 PolarHBondContact O-N 3.11Å |
| 1270 | L | 81 | Confident | 74.2 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -59 | -43.5 | -174.9 | -165.4 | 72.9 | 0 | 0 | 0 | 113.4 | F1265 S1272 Y1273 L1274 L1289 F1292 L1315 | F1265-L1270 HydrophobicContact CE1-CD1 4.4Å; F1265-L1270 HydrophobicContact CZ-CD1 4.35Å; F1265-L1270 PolarHBondContact O-N 3.29Å; L1270-S1272 PolarHBondContact O-N 3.46Å; L1270-Y1273 PolarHBondContact O-N 2.95Å; L1270-L1274 HydrophobicContact CG-CD1 4.41Å; L1270-L1274 WeakPolarHBondContact O-CG 3.34Å; L1270-L1274 PolarHBondContact O-N 3.08Å; L1270-L1289 HydrophobicContact CD2-CD2 3.91Å; L1270-L1289 HydrophobicContact CG-CD2 4.17Å; L1270-F1292 HydrophobicContact CD2-CB 4.4Å; L1270-F1292 HydrophobicContact CD2-CD1 3.74Å; L1270-F1292 HydrophobicContact CD2-CD2 4.34Å; L1270-F1292 HydrophobicContact CD2-CE1 4.08Å; L1270-F1292 HydrophobicContact CD2-CG 3.88Å; L1270-F1292 HydrophobicContact CD2-CZ 4.5Å; L1270-L1315 HydrophobicContact CD1-CD1 3.82Å; L1270-L1315 HydrophobicContact CD2-CD1 3.8Å; L1270-L1315 HydrophobicContact CG-CD1 4.21Å |
| 1271 | P | 79.4 | Confident | 75.1 | Confident | 32 Ų | 32 | 42.1 Ų | 42.1 | 21% | 0.208 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -66.1 | -37.7 | 175.6 | -22.8 | 36.5 | 0 | 0 | 0 | 112.7 | V1266 Q1267 N1275 L1289 | V1266-P1271 VanDerWaalsContact O-CD 3.29Å; V1266-P1271 WeakPolarHBondContact O-CD 3.1Å; Q1267-P1271 WeakPolarHBondContact O-CG 3.21Å; P1271-N1275 PolarHBondContact O-N 2.98Å; P1271-N1275 PolarHBondContact O-ND2 2.76Å; P1271-L1289 HydrophobicContact CB-CD1 4.1Å; P1271-L1289 HydrophobicContact CG-CD1 4.22Å; P1271-L1289 HydrophobicContact CG-CD2 3.93Å |
| 1272 | S | 78.7 | Confident | 75.8 | Confident | 64 Ų | 64 | 47.9 Ų | 47.9 | 45% | 0.448 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -66.4 | -38.4 | 176.1 | 74.1 | 0 | 0 | 0 | 0 | 112.1 | H1268 F1269 L1270 N1275 | H1268-S1272 WeakPolarHBondContact O-CB 3.39Å; H1268-S1272 PolarHBondContact O-N 3.45Å; H1268-S1272 PolarHBondContact O-OG 2.85Å; F1269-S1272 PolarHBondContact O-N 3.32Å; F1269-S1272 VanDerWaalsContact O-N 3.11Å; F1269-S1272 PolarHBondContact O-OG 3.45Å; L1270-S1272 PolarHBondContact O-N 3.46Å; S1272-N1275 WeakPolarHBondContact O-CB 3.46Å; S1272-N1275 PolarHBondContact O-N 3Å |
| 1273 | Y | 80.7 | Confident | 76.1 | Confident | 2 Ų | 2 | 50.9 Ų | 50.9 | 1% | 0.008 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -67.2 | -45.5 | 175.5 | 173.5 | -108.4 | 0 | 0 | 0 | 111.9 | T1192 L1195 N1196 I1199 F1269 L1270 N1275 T1276 V1277 | T1192-Y1273 HydrophobicContact CG2-CD2 3.52Å; T1192-Y1273 HydrophobicContact CG2-CE2 4.04Å; T1192-Y1273 HydrophobicContact CG2-CG 4.49Å; L1195-Y1273 VanDerWaalsContact C-OH 3.26Å; L1195-Y1273 HydrophobicContact CB-CE1 3.75Å; L1195-Y1273 HydrophobicContact CB-CE2 4.09Å; L1195-Y1273 VanDerWaalsContact CB-CZ 3.41Å; L1195-Y1273 WeakPolarHBondContact CB-OH 3.34Å; L1195-Y1273 HydrophobicContact CD1-CD1 3.8Å; L1195-Y1273 HydrophobicContact CD1-CE1 3.69Å; L1195-Y1273 HydrophobicContact CD1-CE2 4.42Å; L1195-Y1273 HydrophobicContact CD1-CG 4.22Å; L1195-Y1273 HydrophobicContact CG-CE1 4.3Å; N1196-Y1273 PolarHBondContact N-OH 2.75Å; N1196-Y1273 PolarHBondContact OD1-OH 2.93Å; I1199-Y1273 HydrophobicContact CD1-CE1 4.05Å; I1199-Y1273 WeakPolarHBondContact CD1-OH 3.36Å; F1269-Y1273 WeakPolarHBondContact O-CB 3.3Å; F1269-Y1273 PolarHBondContact O-N 3.11Å; L1270-Y1273 PolarHBondContact O-N 2.95Å; Y1273-N1275 PolarHBondContact O-N 3.26Å; Y1273-T1276 PolarHBondContact O-N 2.84Å; Y1273-T1276 PolarHBondContact O-OG1 3.26Å; Y1273-V1277 HydrophobicContact CD1-CG2 4.37Å; Y1273-V1277 HydrophobicContact CE1-CG2 3.93Å; Y1273-V1277 HydrophobicContact CE2-CG2 4.45Å; Y1273-V1277 PolarHBondContact O-N 3.2Å |
| 1274 | L | 80.3 | Confident | 76.8 | Confident | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.005 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -60.7 | -22.5 | 177.4 | -72.9 | 170.6 | 0 | 0 | 0 | 113 | L1270 R1285 V1288 L1289 I1319 | L1270-L1274 HydrophobicContact CG-CD1 4.41Å; L1270-L1274 WeakPolarHBondContact O-CG 3.34Å; L1270-L1274 PolarHBondContact O-N 3.08Å; L1274-R1285 PolarHBondContact O-NE 3.15Å; L1274-V1288 HydrophobicContact CD1-CG1 4.37Å; L1274-V1288 HydrophobicContact CD2-CG1 4.34Å; L1274-L1289 HydrophobicContact CD1-CD1 4.05Å; L1274-L1289 HydrophobicContact CD1-CD2 3.68Å; L1274-L1289 HydrophobicContact CD1-CG 3.48Å; L1274-L1289 VanDerWaalsContact CD1-CG 3.48Å; L1274-I1319 HydrophobicContact CD2-CD1 3.71Å; L1274-I1319 HydrophobicContact CD2-CG1 4.19Å |
| 1275 | N | 78.5 | Confident | 77.4 | Confident | 98 Ų | 98 | 47.4 Ų | 47.4 | 52% | 0.524 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -74 | -23 | 173 | -72.4 | -28.9 | 0 | 0 | 0 | 114.1 | P1271 S1272 Y1273 R1285 | P1271-N1275 PolarHBondContact O-N 2.98Å; P1271-N1275 PolarHBondContact O-ND2 2.76Å; S1272-N1275 WeakPolarHBondContact O-CB 3.46Å; S1272-N1275 PolarHBondContact O-N 3Å; Y1273-N1275 PolarHBondContact O-N 3.26Å; N1275-R1285 PolarHBondContact OD1-NH1 2.92Å |
| 1276 | T | 77.5 | Confident | 77.5 | Confident | 101 Ų | 101 | 50.8 Ų | 50.8 | 62% | 0.62 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -86 | -17.9 | 175.8 | 67.7 | 0 | 0 | 0 | 0 | 112.4 | Y1273 G1278 | Y1273-T1276 PolarHBondContact O-N 2.84Å; Y1273-T1276 PolarHBondContact O-OG1 3.26Å; T1276-G1278 PolarHBondContact O-N 3.4Å |
| 1277 | V | 76.1 | Confident | 77.8 | Confident | 3 Ų | 3 | 52.2 Ų | 52.2 | 2% | 0.018 | 30% | 0.302 | C | S | . | . | S | Bend | trans | -72.9 | 108.9 | 177.9 | -178.3 | 0 | 0 | 0 | 0 | 110.1 | Y1273 L1280 I1319 | Y1273-V1277 HydrophobicContact CD1-CG2 4.37Å; Y1273-V1277 HydrophobicContact CE1-CG2 3.93Å; Y1273-V1277 HydrophobicContact CE2-CG2 4.45Å; Y1273-V1277 PolarHBondContact O-N 3.2Å; V1277-L1280 HydrophobicContact CB-CD1 4.02Å; V1277-L1280 HydrophobicContact CG1-CD1 3.56Å; V1277-L1280 HydrophobicContact CG1-CG 4.16Å; V1277-I1319 HydrophobicContact CG1-CG2 3.96Å |
| 1278 | G | 74.6 | Confident | 78.2 | Confident | 39 Ų | 39 | 48.2 Ų | 48.2 | 40% | 0.402 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -62.9 | 158.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | T1276 L1280 R1323 | T1276-G1278 PolarHBondContact O-N 3.4Å; G1278-L1280 PolarHBondContact O-N 2.89Å; G1278-R1323 PolarHBondContact O-NE 3.46Å |
| 1279 | N | 76.5 | Confident | 78.5 | Confident | 92 Ų | 92 | 45.3 Ų | 45.3 | 49% | 0.492 | 27% | 0.271 | S | S | . | . | S | Bend | trans | 61.8 | 33.8 | 178.6 | -55 | -14.8 | 0 | 0 | 0 | 115 | R1323 N1326 | N1279-R1323 HydrophobicContact CB-CG 4.4Å; N1279-N1326 PolarHBondContact O-ND2 3.19Å |
| 1280 | L | 75.8 | Confident | 78.4 | Confident | 6 Ų | 6 | 47.1 Ų | 47.1 | 3% | 0.031 | 29% | 0.285 | C | S | . | . | trans | -126 | 127.9 | 169.4 | -67.8 | 176.6 | 0 | 0 | 0 | 110.1 | V1277 G1278 R1285 I1319 Y1322 | V1277-L1280 HydrophobicContact CB-CD1 4.02Å; V1277-L1280 HydrophobicContact CG1-CD1 3.56Å; V1277-L1280 HydrophobicContact CG1-CG 4.16Å; G1278-L1280 PolarHBondContact O-N 2.89Å; L1280-R1285 HydrophobicContact CB-CG 3.96Å; L1280-R1285 HydrophobicContact CD1-CG 4.47Å; L1280-R1285 PolarHBondContact O-NE 3.44Å; L1280-R1285 VanDerWaalsContact O-NE 3.12Å; L1280-R1285 PolarHBondContact O-NH2 3.23Å; L1280-I1319 HydrophobicContact CD1-CG1 4.34Å; L1280-I1319 HydrophobicContact CD1-CG2 4.2Å; L1280-Y1322 VanDerWaalsContact CD2-CB 3.43Å; L1280-Y1322 HydrophobicContact CD2-CG 4.36Å | ||
| 1281 | D | 78.8 | Confident | 78.2 | Confident | 94 Ų | 94 | 49.5 Ų | 49.5 | 50% | 0.503 | 30% | 0.301 | S | S | . | . | trans | -74.2 | 155.9 | 174 | -70.8 | -19.8 | 0 | 0 | 0 | 111.4 | S1283 Q1284 R1285 | D1281-S1283 PolarHBondContact O-N 2.94Å; D1281-Q1284 HydrophobicContact CB-CG 4.23Å; D1281-Q1284 VanDerWaalsContact N-OE1 3.08Å; D1281-Q1284 WeakPolarHBondContact O-CB 3.43Å; D1281-Q1284 PolarHBondContact O-N 2.65Å; D1281-R1285 WeakPolarHBondContact O-CG 3.15Å; D1281-R1285 PolarHBondContact O-N 3.33Å | ||
| 1282 | N | 76.5 | Confident | 78 | Confident | 125 Ų | 125 | 48.1 Ų | 48.1 | 67% | 0.668 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -57.5 | -35.3 | 179.8 | -72.2 | -17.9 | 0 | 0 | 0 | 112.9 | S1286 | N1282-S1286 PolarHBondContact O-N 2.93Å; N1282-S1286 VanDerWaalsContact O-N 3.1Å |
| 1283 | S | 76.9 | Confident | 77.7 | Confident | 77 Ų | 77 | 48.8 Ų | 48.8 | 54% | 0.538 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -66.3 | -43.4 | 175.3 | 55.4 | 0 | 0 | 0 | 0 | 111.9 | D1281 S1286 S1287 | D1281-S1283 PolarHBondContact O-N 2.94Å; S1283-S1286 PolarHBondContact O-N 3.13Å; S1283-S1286 PolarHBondContact O-OG 3.48Å; S1283-S1287 PolarHBondContact O-N 2.91Å |
| 1284 | Q | 81.9 | Confident | 77.1 | Confident | 24 Ų | 24 | 53.9 Ų | 53.9 | 11% | 0.112 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -66.3 | -38.9 | 177.3 | -64.3 | 170.8 | -16.5 | 0 | 0 | 111.5 | D1281 S1286 S1287 V1288 Y1322 N1326 | D1281-Q1284 HydrophobicContact CB-CG 4.23Å; D1281-Q1284 VanDerWaalsContact N-OE1 3.08Å; D1281-Q1284 WeakPolarHBondContact O-CB 3.43Å; D1281-Q1284 PolarHBondContact O-N 2.65Å; Q1284-S1286 VanDerWaalsContact C-N 3.31Å; Q1284-S1286 PolarHBondContact O-N 3.32Å; Q1284-S1287 WeakPolarHBondContact CA-OG 3.46Å; Q1284-S1287 PolarHBondContact O-N 3.26Å; Q1284-S1287 PolarHBondContact O-OG 2.86Å; Q1284-V1288 VanDerWaalsContact O-CG2 3.29Å; Q1284-V1288 WeakPolarHBondContact O-CG2 3.34Å; Q1284-V1288 PolarHBondContact O-N 3.05Å; Q1284-Y1322 HydrophobicContact CB-CD1 4.3Å; Q1284-Y1322 HydrophobicContact CB-CD2 4.38Å; Q1284-Y1322 HydrophobicContact CB-CG 4.22Å; Q1284-Y1322 HydrophobicContact CG-CD1 3.81Å; Q1284-Y1322 HydrophobicContact CG-CE1 4.06Å; Q1284-Y1322 HydrophobicContact CG-CG 4.2Å; Q1284-N1326 PolarHBondContact NE2-ND2 2.88Å; Q1284-N1326 PolarHBondContact NE2-OD1 2.79Å; Q1284-N1326 PolarHBondContact OE1-ND2 3.03Å |
| 1285 | R | 79.7 | Confident | 76.4 | Confident | 47 Ų | 47 | 56.6 Ų | 56.6 | 18% | 0.177 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -60.3 | -43.3 | 173.3 | -66.4 | 177.1 | -161.8 | 177.7 | 1.1 | 111.4 | L1274 N1275 L1280 D1281 S1287 V1288 L1289 | L1274-R1285 PolarHBondContact O-NE 3.15Å; N1275-R1285 PolarHBondContact OD1-NH1 2.92Å; L1280-R1285 HydrophobicContact CB-CG 3.96Å; L1280-R1285 HydrophobicContact CD1-CG 4.47Å; L1280-R1285 PolarHBondContact O-NE 3.44Å; L1280-R1285 VanDerWaalsContact O-NE 3.12Å; L1280-R1285 PolarHBondContact O-NH2 3.23Å; D1281-R1285 WeakPolarHBondContact O-CG 3.15Å; D1281-R1285 PolarHBondContact O-N 3.33Å; R1285-S1287 VanDerWaalsContact C-N 3.35Å; R1285-S1287 PolarHBondContact O-N 2.93Å; R1285-V1288 PolarHBondContact O-N 3.43Å; R1285-L1289 WeakPolarHBondContact O-CG 3.33Å; R1285-L1289 PolarHBondContact O-N 2.89Å |
| 1286 | S | 77.3 | Confident | 75.5 | Confident | 70 Ų | 70 | 52.1 Ų | 52.1 | 49% | 0.49 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -65.5 | -36 | 177.8 | 72.3 | 0 | 0 | 0 | 0 | 112.9 | N1282 S1283 Q1284 L1289 S1290 | N1282-S1286 PolarHBondContact O-N 2.93Å; N1282-S1286 VanDerWaalsContact O-N 3.1Å; S1283-S1286 PolarHBondContact O-N 3.13Å; S1283-S1286 PolarHBondContact O-OG 3.48Å; Q1284-S1286 VanDerWaalsContact C-N 3.31Å; Q1284-S1286 PolarHBondContact O-N 3.32Å; S1286-L1289 PolarHBondContact O-N 2.73Å; S1286-S1290 PolarHBondContact O-N 2.88Å; S1286-S1290 PolarHBondContact O-OG 2.84Å |
| 1287 | S | 79.2 | Confident | 74.6 | Confident | 31 Ų | 31 | 53.8 Ų | 53.8 | 22% | 0.217 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -72.6 | -39.6 | 177.4 | 68.8 | 0 | 0 | 0 | 0 | 112.6 | S1283 Q1284 R1285 L1289 S1290 C1291 Y1322 | S1283-S1287 PolarHBondContact O-N 2.91Å; Q1284-S1287 WeakPolarHBondContact CA-OG 3.46Å; Q1284-S1287 PolarHBondContact O-N 3.26Å; Q1284-S1287 PolarHBondContact O-OG 2.86Å; R1285-S1287 VanDerWaalsContact C-N 3.35Å; R1285-S1287 PolarHBondContact O-N 2.93Å; S1287-L1289 VanDerWaalsContact C-N 3.31Å; S1287-L1289 PolarHBondContact O-N 3.22Å; S1287-S1290 WeakPolarHBondContact CA-OG 3.46Å; S1287-S1290 PolarHBondContact O-N 2.86Å; S1287-S1290 PolarHBondContact O-OG 3.21Å; S1287-C1291 WeakPolarHBondContact O-CB 3.43Å; S1287-C1291 PolarHBondContact O-N 3.45Å; S1287-C1291 PolarHBondContact O-SG 3.07Å; S1287-Y1322 PolarHBondContact OG-OH 2.89Å |
| 1288 | V | 80.9 | Confident | 73.6 | Confident | 1 Ų | 1 | 63 Ų | 63 | 1% | 0.006 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -60.7 | -43.4 | 173.4 | 174.1 | 0 | 0 | 0 | 0 | 110.3 | L1274 Q1284 R1285 F1292 L1315 N1318 I1319 Y1322 | L1274-V1288 HydrophobicContact CD1-CG1 4.37Å; L1274-V1288 HydrophobicContact CD2-CG1 4.34Å; Q1284-V1288 VanDerWaalsContact O-CG2 3.29Å; Q1284-V1288 WeakPolarHBondContact O-CG2 3.34Å; Q1284-V1288 PolarHBondContact O-N 3.05Å; R1285-V1288 PolarHBondContact O-N 3.43Å; V1288-F1292 PolarHBondContact O-N 3.47Å; V1288-L1315 HydrophobicContact CG1-CD1 4.03Å; V1288-L1315 HydrophobicContact CG1-CG 4.1Å; V1288-N1318 HydrophobicContact CG2-CB 4.1Å; V1288-I1319 HydrophobicContact CG1-CG1 4.31Å; V1288-Y1322 HydrophobicContact CG2-CD2 3.81Å; V1288-Y1322 HydrophobicContact CG2-CE2 3.68Å |
| 1289 | L | 79.6 | Confident | 72.6 | Confident | 30 Ų | 30 | 62 Ų | 62 | 16% | 0.157 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -62.5 | -48.3 | 174.9 | -79 | 166.3 | 0 | 0 | 0 | 111.9 | L1270 P1271 L1274 R1285 S1286 S1287 C1291 F1292 Y1293 | L1270-L1289 HydrophobicContact CD2-CD2 3.91Å; L1270-L1289 HydrophobicContact CG-CD2 4.17Å; P1271-L1289 HydrophobicContact CB-CD1 4.1Å; P1271-L1289 HydrophobicContact CG-CD1 4.22Å; P1271-L1289 HydrophobicContact CG-CD2 3.93Å; L1274-L1289 HydrophobicContact CD1-CD1 4.05Å; L1274-L1289 HydrophobicContact CD1-CD2 3.68Å; L1274-L1289 HydrophobicContact CD1-CG 3.48Å; L1274-L1289 VanDerWaalsContact CD1-CG 3.48Å; R1285-L1289 WeakPolarHBondContact O-CG 3.33Å; R1285-L1289 PolarHBondContact O-N 2.89Å; S1286-L1289 PolarHBondContact O-N 2.73Å; S1287-L1289 VanDerWaalsContact C-N 3.31Å; S1287-L1289 PolarHBondContact O-N 3.22Å; L1289-C1291 VanDerWaalsContact C-N 3.33Å; L1289-C1291 PolarHBondContact O-N 3.43Å; L1289-F1292 WeakPolarHBondContact O-CB 3.11Å; L1289-F1292 PolarHBondContact O-N 3.26Å; L1289-F1292 VanDerWaalsContact O-N 3.14Å; L1289-Y1293 HydrophobicContact CB-CD2 4.45Å; L1289-Y1293 HydrophobicContact CB-CE2 4.31Å; L1289-Y1293 HydrophobicContact CD2-CE2 4.42Å; L1289-Y1293 WeakPolarHBondContact O-CD2 3.24Å; L1289-Y1293 PolarHBondContact O-N 2.68Å |
| 1290 | S | 76.9 | Confident | 71.3 | Confident | 53 Ų | 53 | 59.5 Ų | 59.5 | 37% | 0.371 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -60.8 | -43.1 | 179.9 | 66.5 | 0 | 0 | 0 | 0 | 111.7 | S1286 S1287 F1292 Y1293 D1294 | S1286-S1290 PolarHBondContact O-N 2.88Å; S1286-S1290 PolarHBondContact O-OG 2.84Å; S1287-S1290 WeakPolarHBondContact CA-OG 3.46Å; S1287-S1290 PolarHBondContact O-N 2.86Å; S1287-S1290 PolarHBondContact O-OG 3.21Å; S1290-F1292 VanDerWaalsContact C-N 3.32Å; S1290-F1292 PolarHBondContact O-N 3.04Å; S1290-Y1293 PolarHBondContact O-N 3.27Å; S1290-D1294 WeakPolarHBondContact O-CB 3.17Å; S1290-D1294 VanDerWaalsContact O-CG 3.27Å; S1290-D1294 PolarHBondContact O-N 2.86Å |
| 1291 | C | 75.9 | Confident | 70.1 | Confident | 49 Ų | 49 | 68.4 Ų | 68.4 | 33% | 0.331 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -59.7 | -43 | 174.6 | -71.6 | 0 | 0 | 0 | 0 | 111.9 | S1287 L1289 Y1293 D1294 T1295 | S1287-C1291 WeakPolarHBondContact O-CB 3.43Å; S1287-C1291 PolarHBondContact O-N 3.45Å; S1287-C1291 PolarHBondContact O-SG 3.07Å; L1289-C1291 VanDerWaalsContact C-N 3.33Å; L1289-C1291 PolarHBondContact O-N 3.43Å; C1291-Y1293 VanDerWaalsContact C-N 3.34Å; C1291-Y1293 PolarHBondContact O-N 2.93Å; C1291-D1294 PolarHBondContact O-N 2.88Å; C1291-T1295 WeakPolarHBondContact O-CG2 3.41Å; C1291-T1295 PolarHBondContact O-N 3.03Å; C1291-T1295 VanDerWaalsContact O-N 3.08Å; C1291-T1295 PolarHBondContact O-OG1 2.97Å; C1291-T1295 VanDerWaalsContact O-OG1 3.1Å |
| 1292 | F | 76.1 | Confident | 68.9 | Low | 4 Ų | 4 | 67.7 Ų | 67.7 | 2% | 0.018 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -63.9 | -39.1 | 177 | -165.7 | -88.2 | 0 | 0 | 0 | 112 | V1266 L1270 V1288 L1289 S1290 T1295 N1296 F1308 S1311 I1312 L1315 | V1266-F1292 HydrophobicContact CB-CE1 4.47Å; V1266-F1292 HydrophobicContact CG1-CD1 3.9Å; V1266-F1292 HydrophobicContact CG1-CE1 4.07Å; V1266-F1292 HydrophobicContact CG2-CD1 4.24Å; V1266-F1292 HydrophobicContact CG2-CE1 3.56Å; L1270-F1292 HydrophobicContact CD2-CB 4.4Å; L1270-F1292 HydrophobicContact CD2-CD1 3.74Å; L1270-F1292 HydrophobicContact CD2-CD2 4.34Å; L1270-F1292 HydrophobicContact CD2-CE1 4.08Å; L1270-F1292 HydrophobicContact CD2-CG 3.88Å; L1270-F1292 HydrophobicContact CD2-CZ 4.5Å; V1288-F1292 PolarHBondContact O-N 3.47Å; L1289-F1292 WeakPolarHBondContact O-CB 3.11Å; L1289-F1292 PolarHBondContact O-N 3.26Å; L1289-F1292 VanDerWaalsContact O-N 3.14Å; S1290-F1292 VanDerWaalsContact C-N 3.32Å; S1290-F1292 PolarHBondContact O-N 3.04Å; F1292-T1295 PolarHBondContact O-OG1 3.28Å; F1292-N1296 WeakPolarHBondContact CD1-ND2 3.41Å; F1292-N1296 WeakPolarHBondContact CE1-ND2 3.42Å; F1292-N1296 VanDerWaalsContact CZ-ND2 3.35Å; F1292-N1296 WeakPolarHBondContact CZ-ND2 3.24Å; F1292-N1296 WeakPolarHBondContact O-CB 3.37Å; F1292-N1296 PolarHBondContact O-N 2.93Å; F1292-N1296 PolarHBondContact O-ND2 2.98Å; F1292-F1308 HydrophobicContact CZ-CE2 4.42Å; F1292-S1311 WeakPolarHBondContact CE2-OG 3.38Å; F1292-I1312 HydrophobicContact CE2-CD1 3.94Å; F1292-I1312 HydrophobicContact CZ-CD1 4.18Å; F1292-L1315 HydrophobicContact CB-CD1 4.45Å; F1292-L1315 HydrophobicContact CD2-CB 4.06Å; F1292-L1315 HydrophobicContact CD2-CD1 3.67Å; F1292-L1315 HydrophobicContact CE2-CB 4.46Å; F1292-L1315 HydrophobicContact CE2-CD1 4.22Å; F1292-L1315 HydrophobicContact CG-CD1 4.21Å |
| 1293 | Y | 72.3 | Confident | 67.9 | Low | 77 Ų | 77 | 67.1 Ų | 67.1 | 30% | 0.302 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -64.3 | -48.2 | 174 | -78.5 | -67.5 | 0 | 0 | 0 | 111.9 | V1266 L1289 S1290 C1291 T1295 N1296 Q1297 | V1266-Y1293 HydrophobicContact CG1-CD1 3.9Å; V1266-Y1293 HydrophobicContact CG1-CE1 3.38Å; V1266-Y1293 HydrophobicContact CG1-CE2 4.48Å; V1266-Y1293 PolarHBondContact O-OH 2.93Å; L1289-Y1293 HydrophobicContact CB-CD2 4.45Å; L1289-Y1293 HydrophobicContact CB-CE2 4.31Å; L1289-Y1293 HydrophobicContact CD2-CE2 4.42Å; L1289-Y1293 WeakPolarHBondContact O-CD2 3.24Å; L1289-Y1293 PolarHBondContact O-N 2.68Å; S1290-Y1293 PolarHBondContact O-N 3.27Å; C1291-Y1293 VanDerWaalsContact C-N 3.34Å; C1291-Y1293 PolarHBondContact O-N 2.93Å; Y1293-T1295 VanDerWaalsContact C-N 3.35Å; Y1293-T1295 PolarHBondContact O-N 3.4Å; Y1293-N1296 PolarHBondContact O-N 3.41Å; Y1293-Q1297 WeakPolarHBondContact O-CG 3.39Å; Y1293-Q1297 PolarHBondContact O-N 3.27Å |
| 1294 | D | 68.6 | Low | 67.4 | Low | 109 Ų | 109 | 67.2 Ų | 67.2 | 58% | 0.583 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -63 | -39.8 | -176.6 | -70.6 | -21.3 | 0 | 0 | 0 | 112.2 | S1290 C1291 N1296 | S1290-D1294 WeakPolarHBondContact O-CB 3.17Å; S1290-D1294 VanDerWaalsContact O-CG 3.27Å; S1290-D1294 PolarHBondContact O-N 2.86Å; C1291-D1294 PolarHBondContact O-N 2.88Å; D1294-N1296 PolarHBondContact O-N 3.41Å |
| 1295 | T | 64.2 | Low | 67 | Low | 58 Ų | 58 | 68.6 Ų | 68.6 | 36% | 0.356 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -63.9 | -27.1 | 175.1 | 50.4 | 0 | 0 | 0 | 0 | 112.9 | C1291 F1292 Y1293 | C1291-T1295 WeakPolarHBondContact O-CG2 3.41Å; C1291-T1295 PolarHBondContact O-N 3.03Å; C1291-T1295 VanDerWaalsContact O-N 3.08Å; C1291-T1295 PolarHBondContact O-OG1 2.97Å; C1291-T1295 VanDerWaalsContact O-OG1 3.1Å; F1292-T1295 PolarHBondContact O-OG1 3.28Å; Y1293-T1295 VanDerWaalsContact C-N 3.35Å; Y1293-T1295 PolarHBondContact O-N 3.4Å |
| 1296 | N | 60.5 | Low | 66.7 | Low | 4 Ų | 4 | 70.9 Ų | 70.9 | 2% | 0.021 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -105.9 | -16.1 | -167.5 | -84.8 | -31.4 | 0 | 0 | 0 | 115 | F1292 Y1293 D1294 K1298 A1299 L1300 | F1292-N1296 WeakPolarHBondContact CD1-ND2 3.41Å; F1292-N1296 WeakPolarHBondContact CE1-ND2 3.42Å; F1292-N1296 VanDerWaalsContact CZ-ND2 3.35Å; F1292-N1296 WeakPolarHBondContact CZ-ND2 3.24Å; F1292-N1296 WeakPolarHBondContact O-CB 3.37Å; F1292-N1296 PolarHBondContact O-N 2.93Å; F1292-N1296 PolarHBondContact O-ND2 2.98Å; Y1293-N1296 PolarHBondContact O-N 3.41Å; D1294-N1296 PolarHBondContact O-N 3.41Å; N1296-K1298 PolarHBondContact O-N 2.99Å; N1296-K1298 VanDerWaalsContact O-N 3.11Å; N1296-A1299 PolarHBondContact O-N 3.2Å; N1296-L1300 HydrophobicContact CB-CD1 3.68Å; N1296-L1300 HydrophobicContact CB-CG 3.81Å; N1296-L1300 PolarHBondContact O-N 3.17Å |
| 1297 | Q | 58.1 | Low | 66.5 | Low | 136 Ų | 136 | 69.8 Ų | 69.8 | 64% | 0.636 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.8 | -35.5 | -176.2 | -84.5 | -173 | 8 | 0 | 0 | 114.4 | Y1293 | Y1293-Q1297 WeakPolarHBondContact O-CG 3.39Å; Y1293-Q1297 PolarHBondContact O-N 3.27Å |
| 1298 | K | 55.4 | Low | 66.3 | Low | 198 Ų | 198 | 68.7 Ų | 68.7 | 86% | 0.861 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.4 | -23.4 | 179 | -71.9 | -178 | 179.6 | 175.7 | 0 | 113.7 | N1296 | N1296-K1298 PolarHBondContact O-N 2.99Å; N1296-K1298 VanDerWaalsContact O-N 3.11Å |
| 1299 | A | 52.7 | Low | 66.3 | Low | 18 Ų | 18 | 70.1 Ų | 70.1 | 15% | 0.149 | 36% | 0.356 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -114.1 | -14.2 | -164.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | N1296 Y1301 T1302 V1307 | N1296-A1299 PolarHBondContact O-N 3.2Å; A1299-Y1301 PolarHBondContact O-N 3.49Å; A1299-T1302 WeakPolarHBondContact CA-OG1 3.44Å; A1299-T1302 CarbonylContact O-C 3.46Å; A1299-T1302 PolarHBondContact O-N 2.88Å; A1299-T1302 PolarHBondContact O-OG1 3.46Å; A1299-V1307 HydrophobicContact CB-CB 4.43Å; A1299-V1307 HydrophobicContact CB-CG1 3.72Å |
| 1300 | L | 50.8 | Low | 66.2 | Low | 39 Ų | 39 | 74 Ų | 74 | 20% | 0.204 | 37% | 0.373 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -22.3 | 173.4 | -86.3 | 162.1 | 0 | 0 | 0 | 113.2 | L1262 N1296 | L1262-L1300 HydrophobicContact CB-CD2 3.84Å; L1262-L1300 HydrophobicContact CD1-CD2 4.27Å; N1296-L1300 HydrophobicContact CB-CD1 3.68Å; N1296-L1300 HydrophobicContact CB-CG 3.81Å; N1296-L1300 PolarHBondContact O-N 3.17Å |
| 1301 | Y | 50.1 | Low | 66.2 | Low | 193 Ų | 193 | 71.6 Ų | 71.6 | 76% | 0.757 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.7 | -21.6 | 174.8 | -62.3 | -73 | 0 | 0 | 0 | 113.5 | A1299 | A1299-Y1301 PolarHBondContact O-N 3.49Š|
| 1302 | T | 52.6 | Low | 66.5 | Low | 78 Ų | 78 | 69.2 Ų | 69.2 | 48% | 0.479 | 34% | 0.34 | S | S | . | . | S | Bend | trans | -92.6 | 118.7 | 174 | 52.8 | 0 | 0 | 0 | 0 | 107.6 | A1299 D1304 | A1299-T1302 WeakPolarHBondContact CA-OG1 3.44Å; A1299-T1302 CarbonylContact O-C 3.46Å; A1299-T1302 PolarHBondContact O-N 2.88Å; A1299-T1302 PolarHBondContact O-OG1 3.46Å; T1302-D1304 PolarHBondContact O-N 3.43Å |
| 1303 | K | 57.2 | Low | 66.7 | Low | 114 Ų | 114 | 72.3 Ų | 72.3 | 50% | 0.496 | 36% | 0.355 | S | S | . | . | trans | -67.5 | 39.8 | 179.6 | -58.5 | -175.1 | -174.7 | -174.8 | 0 | 113.2 | N1255 I1305 | N1255-K1303 PolarHBondContact OD1-NZ 2.99Å; K1303-I1305 PolarHBondContact O-N 3.4Å | ||
| 1304 | D | 65.2 | Low | 67.1 | Low | 79 Ų | 79 | 71.2 Ų | 71.2 | 42% | 0.422 | 35% | 0.354 | S | S | . | . | trans | -90.8 | 101.5 | -172.8 | -153.4 | -22.9 | 0 | 0 | 0 | 109.7 | T1302 T1306 V1307 F1308 | T1302-D1304 PolarHBondContact O-N 3.43Å; D1304-T1306 VanDerWaalsContact CG-OG1 3.28Å; D1304-T1306 PolarHBondContact O-N 3.2Å; D1304-T1306 VanDerWaalsContact O-N 3.16Å; D1304-T1306 PolarHBondContact OD1-N 3.34Å; D1304-T1306 PolarHBondContact OD1-OG1 2.94Å; D1304-V1307 HydrophobicContact CB-CG2 4.17Å; D1304-V1307 PolarHBondContact O-N 3.46Å; D1304-F1308 PolarHBondContact O-N 2.83Å | ||
| 1305 | I | 73.2 | Confident | 67.7 | Low | 53 Ų | 53 | 66.1 Ų | 66.1 | 27% | 0.272 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -54.2 | -33.7 | -179.6 | -63 | 172.5 | 0 | 0 | 0 | 110.6 | E1212 Y1215 K1303 V1307 F1308 N1309 | E1212-I1305 HydrophobicContact CG-CG2 4.32Å; Y1215-I1305 HydrophobicContact CD1-CD1 4.35Å; Y1215-I1305 HydrophobicContact CD1-CG1 3.91Å; Y1215-I1305 HydrophobicContact CE1-CD1 4.06Å; Y1215-I1305 HydrophobicContact CE1-CG1 3.57Å; Y1215-I1305 HydrophobicContact CE2-CG1 4.42Å; Y1215-I1305 HydrophobicContact CG-CG1 4.46Å; K1303-I1305 PolarHBondContact O-N 3.4Å; I1305-V1307 PolarHBondContact O-N 3.05Å; I1305-F1308 PolarHBondContact O-N 3.31Å; I1305-N1309 WeakPolarHBondContact O-CB 3.37Å; I1305-N1309 PolarHBondContact O-N 2.88Å; I1305-N1309 PolarHBondContact O-OD1 3.03Å |
| 1306 | T | 74.3 | Confident | 68.6 | Low | 94 Ų | 94 | 63.8 Ų | 63.8 | 58% | 0.577 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -62.5 | -42.3 | -177.4 | 62.8 | 0 | 0 | 0 | 0 | 112.5 | D1304 H1310 | D1304-T1306 VanDerWaalsContact CG-OG1 3.28Å; D1304-T1306 PolarHBondContact O-N 3.2Å; D1304-T1306 VanDerWaalsContact O-N 3.16Å; D1304-T1306 PolarHBondContact OD1-N 3.34Å; D1304-T1306 PolarHBondContact OD1-OG1 2.94Å; T1306-H1310 WeakPolarHBondContact O-CB 3.4Å; T1306-H1310 PolarHBondContact O-N 2.8Å |
| 1307 | V | 71.9 | Confident | 69.6 | Low | 47 Ų | 47 | 70.7 Ų | 70.7 | 29% | 0.285 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -71.3 | -42.6 | -179.2 | -176.9 | 0 | 0 | 0 | 0 | 110.6 | A1299 D1304 I1305 H1310 S1311 | A1299-V1307 HydrophobicContact CB-CB 4.43Å; A1299-V1307 HydrophobicContact CB-CG1 3.72Å; D1304-V1307 HydrophobicContact CB-CG2 4.17Å; D1304-V1307 PolarHBondContact O-N 3.46Å; I1305-V1307 PolarHBondContact O-N 3.05Å; V1307-H1310 PolarHBondContact O-N 3.22Å; V1307-S1311 PolarHBondContact O-N 3.3Å |
| 1308 | F | 75.7 | Confident | 70.6 | Confident | 9 Ų | 9 | 65.6 Ų | 65.6 | 4% | 0.039 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -61.4 | -46.3 | 175.8 | -176.6 | -90.1 | 0 | 0 | 0 | 111.2 | V1214 Y1215 A1218 L1262 F1265 F1292 D1304 I1305 H1310 S1311 I1312 | V1214-F1308 HydrophobicContact CB-CE1 4.46Å; V1214-F1308 HydrophobicContact CG1-CE1 4.03Å; V1214-F1308 HydrophobicContact CG1-CZ 4.23Å; Y1215-F1308 VanDerWaalsContact CA-CE1 3.48Å; Y1215-F1308 HydrophobicContact CD2-CB 3.86Å; Y1215-F1308 AromaticContact CD2-CD1 3.65Å; Y1215-F1308 HydrophobicContact CD2-CD1 3.65Å; Y1215-F1308 HydrophobicContact CD2-CD2 4.28Å; Y1215-F1308 HydrophobicContact CD2-CE1 4.24Å; Y1215-F1308 AromaticContact CD2-CG 3.66Å; Y1215-F1308 HydrophobicContact CD2-CG 3.66Å; Y1215-F1308 HydrophobicContact CE2-CB 4.36Å; Y1215-F1308 HydrophobicContact CE2-CG 4.46Å; Y1215-F1308 HydrophobicContact CG-CD1 4.13Å; A1218-F1308 HydrophobicContact CB-CE2 4.3Å; A1218-F1308 HydrophobicContact CB-CZ 3.72Å; L1262-F1308 HydrophobicContact CD2-CD2 4.3Å; L1262-F1308 HydrophobicContact CD2-CE2 3.97Å; F1265-F1308 HydrophobicContact CD1-CE2 4.42Å; F1265-F1308 HydrophobicContact CD1-CZ 4.38Å; F1265-F1308 HydrophobicContact CE1-CE2 4.32Å; F1265-F1308 AromaticContact CE1-CZ 3.99Å; F1265-F1308 HydrophobicContact CE1-CZ 3.99Å; F1292-F1308 HydrophobicContact CZ-CE2 4.42Å; D1304-F1308 PolarHBondContact O-N 2.83Å; I1305-F1308 PolarHBondContact O-N 3.31Å; F1308-H1310 VanDerWaalsContact C-N 3.32Å; F1308-H1310 PolarHBondContact O-N 2.9Å; F1308-S1311 PolarHBondContact O-N 3.31Å; F1308-S1311 VanDerWaalsContact O-N 3.1Å; F1308-S1311 PolarHBondContact O-OG 3.32Å; F1308-I1312 HydrophobicContact CD1-CG1 4.01Å; F1308-I1312 HydrophobicContact CE1-CD1 4.11Å; F1308-I1312 HydrophobicContact CE1-CG1 3.56Å; F1308-I1312 HydrophobicContact CZ-CD1 4.02Å; F1308-I1312 HydrophobicContact CZ-CG1 3.96Å; F1308-I1312 PolarHBondContact O-N 3.39Å |
| 1309 | N | 80.3 | Confident | 71.8 | Confident | 30 Ų | 30 | 56.1 Ų | 56.1 | 16% | 0.16 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -59.1 | -44.3 | 177.2 | -73.2 | -3.2 | 0 | 0 | 0 | 111.3 | T1211 I1305 S1311 I1312 E1313 | T1211-N1309 PolarHBondContact O-OD1 3.49Å; I1305-N1309 WeakPolarHBondContact O-CB 3.37Å; I1305-N1309 PolarHBondContact O-N 2.88Å; I1305-N1309 PolarHBondContact O-OD1 3.03Å; N1309-S1311 VanDerWaalsContact C-N 3.32Å; N1309-S1311 PolarHBondContact O-N 3.08Å; N1309-I1312 PolarHBondContact O-N 2.92Å; N1309-E1313 WeakPolarHBondContact O-CG 3.26Å; N1309-E1313 PolarHBondContact O-N 3.07Å |
| 1310 | H | 79.3 | Confident | 73.1 | Confident | 112 Ų | 112 | 58.3 Ų | 58.3 | 52% | 0.519 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -60.1 | -40.6 | 175.4 | -172.3 | 64.6 | 0 | 0 | 0 | 112.5 | T1306 V1307 F1308 I1312 E1313 L1314 | T1306-H1310 WeakPolarHBondContact O-CB 3.4Å; T1306-H1310 PolarHBondContact O-N 2.8Å; V1307-H1310 PolarHBondContact O-N 3.22Å; F1308-H1310 VanDerWaalsContact C-N 3.32Å; F1308-H1310 PolarHBondContact O-N 2.9Å; H1310-I1312 PolarHBondContact O-N 3.46Å; H1310-E1313 PolarHBondContact O-N 3.38Å; H1310-L1314 WeakPolarHBondContact O-CB 3.36Å; H1310-L1314 PolarHBondContact O-N 3.27Å |
| 1311 | S | 76.8 | Confident | 74.5 | Confident | 2 Ų | 2 | 62.2 Ų | 62.2 | 1% | 0.014 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -65.4 | -36.9 | 177.3 | 75 | 0 | 0 | 0 | 0 | 112.8 | F1292 V1307 F1308 N1309 L1314 L1315 | F1292-S1311 WeakPolarHBondContact CE2-OG 3.38Å; V1307-S1311 PolarHBondContact O-N 3.3Å; F1308-S1311 PolarHBondContact O-N 3.31Å; F1308-S1311 VanDerWaalsContact O-N 3.1Å; F1308-S1311 PolarHBondContact O-OG 3.32Å; N1309-S1311 VanDerWaalsContact C-N 3.32Å; N1309-S1311 PolarHBondContact O-N 3.08Å; S1311-L1314 PolarHBondContact O-N 3.42Å; S1311-L1315 WeakPolarHBondContact O-CB 3.39Å; S1311-L1315 PolarHBondContact O-N 2.77Å |
| 1312 | I | 81.2 | Confident | 75.8 | Confident | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -68.3 | -42.4 | 174.1 | -67.8 | -66.3 | 0 | 0 | 0 | 110.8 | L1195 L1198 V1214 F1265 F1292 F1308 N1309 H1310 L1314 L1315 V1316 | L1195-I1312 HydrophobicContact CD2-CG2 4.48Å; L1198-I1312 HydrophobicContact CD1-CG2 4.26Å; V1214-I1312 HydrophobicContact CG1-CD1 3.94Å; V1214-I1312 HydrophobicContact CG1-CG1 4.26Å; F1265-I1312 HydrophobicContact CE1-CD1 4.42Å; F1265-I1312 HydrophobicContact CZ-CD1 4.49Å; F1292-I1312 HydrophobicContact CE2-CD1 3.94Å; F1292-I1312 HydrophobicContact CZ-CD1 4.18Å; F1308-I1312 HydrophobicContact CD1-CG1 4.01Å; F1308-I1312 HydrophobicContact CE1-CD1 4.11Å; F1308-I1312 HydrophobicContact CE1-CG1 3.56Å; F1308-I1312 HydrophobicContact CZ-CD1 4.02Å; F1308-I1312 HydrophobicContact CZ-CG1 3.96Å; F1308-I1312 PolarHBondContact O-N 3.39Å; N1309-I1312 PolarHBondContact O-N 2.92Å; H1310-I1312 PolarHBondContact O-N 3.46Å; I1312-L1314 VanDerWaalsContact C-N 3.3Å; I1312-L1314 PolarHBondContact O-N 2.94Å; I1312-L1315 WeakPolarHBondContact O-CB 3.5Å; I1312-L1315 PolarHBondContact O-N 3.39Å; I1312-V1316 HydrophobicContact CG2-CG2 4.42Å; I1312-V1316 WeakPolarHBondContact O-CB 3.24Å; I1312-V1316 VanDerWaalsContact O-CG2 3.29Å; I1312-V1316 WeakPolarHBondContact O-CG2 3.27Å; I1312-V1316 PolarHBondContact O-N 3.15Å |
| 1313 | E | 81 | Confident | 77 | Confident | 68 Ų | 68 | 54.5 Ų | 54.5 | 32% | 0.318 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -60.7 | -41.2 | 175.3 | -71.3 | -166.3 | 134.9 | 0 | 0 | 112.1 | K1207 T1211 N1309 H1310 V1316 Y1317 | K1207-E1313 IonicContact NZ-OE1 2.59Å; K1207-E1313 PolarHBondContact NZ-OE1 3.1Å; T1211-E1313 HydrophobicContact CG2-CG 4.29Å; N1309-E1313 WeakPolarHBondContact O-CG 3.26Å; N1309-E1313 PolarHBondContact O-N 3.07Å; H1310-E1313 PolarHBondContact O-N 3.38Å; E1313-V1316 PolarHBondContact O-N 3.31Å; E1313-Y1317 WeakPolarHBondContact O-CB 3.42Å; E1313-Y1317 PolarHBondContact O-N 2.9Å |
| 1314 | L | 80.1 | Confident | 77.8 | Confident | 54 Ų | 54 | 53.4 Ų | 53.4 | 28% | 0.283 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -67.5 | -38.6 | 176.9 | -166.5 | 138.9 | 0 | 0 | 0 | 111.7 | H1310 S1311 I1312 Y1317 N1318 | H1310-L1314 WeakPolarHBondContact O-CB 3.36Å; H1310-L1314 PolarHBondContact O-N 3.27Å; S1311-L1314 PolarHBondContact O-N 3.42Å; I1312-L1314 VanDerWaalsContact C-N 3.3Å; I1312-L1314 PolarHBondContact O-N 2.94Å; L1314-Y1317 PolarHBondContact O-N 3.41Å; L1314-N1318 WeakPolarHBondContact CD2-ND2 3.31Å; L1314-N1318 WeakPolarHBondContact O-CB 3.24Å; L1314-N1318 PolarHBondContact O-N 3.08Å; L1314-N1318 PolarHBondContact O-ND2 3.38Å |
| 1315 | L | 81.7 | Confident | 78.2 | Confident | 3 Ų | 3 | 52.4 Ų | 52.4 | 2% | 0.016 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61.7 | -47.4 | 172.4 | 178.6 | 134.2 | 0 | 0 | 0 | 111.9 | L1270 V1288 F1292 S1311 I1312 Y1317 N1318 I1319 | L1270-L1315 HydrophobicContact CD1-CD1 3.82Å; L1270-L1315 HydrophobicContact CD2-CD1 3.8Å; L1270-L1315 HydrophobicContact CG-CD1 4.21Å; V1288-L1315 HydrophobicContact CG1-CD1 4.03Å; V1288-L1315 HydrophobicContact CG1-CG 4.1Å; F1292-L1315 HydrophobicContact CB-CD1 4.45Å; F1292-L1315 HydrophobicContact CD2-CB 4.06Å; F1292-L1315 HydrophobicContact CD2-CD1 3.67Å; F1292-L1315 HydrophobicContact CE2-CB 4.46Å; F1292-L1315 HydrophobicContact CE2-CD1 4.22Å; F1292-L1315 HydrophobicContact CG-CD1 4.21Å; S1311-L1315 WeakPolarHBondContact O-CB 3.39Å; S1311-L1315 PolarHBondContact O-N 2.77Å; I1312-L1315 WeakPolarHBondContact O-CB 3.5Å; I1312-L1315 PolarHBondContact O-N 3.39Å; L1315-Y1317 VanDerWaalsContact C-N 3.33Å; L1315-Y1317 PolarHBondContact O-N 2.67Å; L1315-N1318 PolarHBondContact O-N 3.01Å; L1315-I1319 HydrophobicContact CD2-CD1 3.58Å; L1315-I1319 HydrophobicContact CG-CD1 4.01Å; L1315-I1319 VanDerWaalsContact O-CG1 3.31Å; L1315-I1319 WeakPolarHBondContact O-CG1 3.37Å; L1315-I1319 PolarHBondContact O-N 2.79Å |
| 1316 | V | 82.5 | Confident | 78.2 | Confident | 9 Ų | 9 | 51 Ų | 51 | 6% | 0.055 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -60.7 | -44.5 | 176.8 | 168.2 | 0 | 0 | 0 | 0 | 110.7 | L1198 I1199 I1312 E1313 I1319 R1320 | L1198-V1316 HydrophobicContact CB-CG2 3.99Å; L1198-V1316 WeakPolarHBondContact O-CG1 3.43Å; I1199-V1316 HydrophobicContact CG1-CG2 4.33Å; I1312-V1316 HydrophobicContact CG2-CG2 4.42Å; I1312-V1316 WeakPolarHBondContact O-CB 3.24Å; I1312-V1316 VanDerWaalsContact O-CG2 3.29Å; I1312-V1316 WeakPolarHBondContact O-CG2 3.27Å; I1312-V1316 PolarHBondContact O-N 3.15Å; E1313-V1316 PolarHBondContact O-N 3.31Å; V1316-I1319 PolarHBondContact O-N 3.3Å; V1316-R1320 VanDerWaalsContact O-CG 3.28Å; V1316-R1320 WeakPolarHBondContact O-CG 3.28Å; V1316-R1320 PolarHBondContact O-N 3.46Å; V1316-R1320 VanDerWaalsContact O-N 3.07Å |
| 1317 | Y | 80.7 | Confident | 77.9 | Confident | 149 Ų | 149 | 50.8 Ų | 50.8 | 58% | 0.584 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -58.8 | -49.1 | 175.9 | 178 | -95.6 | 0 | 0 | 0 | 111.8 | E1313 L1314 L1315 I1319 R1320 Y1321 | E1313-Y1317 WeakPolarHBondContact O-CB 3.42Å; E1313-Y1317 PolarHBondContact O-N 2.9Å; L1314-Y1317 PolarHBondContact O-N 3.41Å; L1315-Y1317 VanDerWaalsContact C-N 3.33Å; L1315-Y1317 PolarHBondContact O-N 2.67Å; Y1317-I1319 PolarHBondContact O-N 3.35Å; Y1317-R1320 PolarHBondContact O-N 3.49Å; Y1317-Y1321 WeakPolarHBondContact O-CB 3.33Å; Y1317-Y1321 PolarHBondContact O-N 3.21Å |
| 1318 | N | 80.1 | Confident | 77.3 | Confident | 28 Ų | 28 | 50.1 Ų | 50.1 | 15% | 0.15 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.6 | -44 | -179.8 | -72.3 | -19.6 | 0 | 0 | 0 | 112.1 | V1288 L1314 L1315 R1320 Y1321 Y1322 | V1288-N1318 HydrophobicContact CG2-CB 4.1Å; L1314-N1318 WeakPolarHBondContact CD2-ND2 3.31Å; L1314-N1318 WeakPolarHBondContact O-CB 3.24Å; L1314-N1318 PolarHBondContact O-N 3.08Å; L1314-N1318 PolarHBondContact O-ND2 3.38Å; L1315-N1318 PolarHBondContact O-N 3.01Å; N1318-R1320 VanDerWaalsContact C-N 3.33Å; N1318-R1320 PolarHBondContact O-N 3.46Å; N1318-Y1321 PolarHBondContact O-N 3.34Å; N1318-Y1322 HydrophobicContact CB-CE2 4.41Å; N1318-Y1322 WeakPolarHBondContact O-CD2 3.44Å; N1318-Y1322 PolarHBondContact O-N 3.42Å |
| 1319 | I | 80.6 | Confident | 76.3 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -60.5 | -44.9 | 177.7 | -69.2 | 168.2 | 0 | 0 | 0 | 110.8 | I1199 L1274 V1277 L1280 V1288 L1315 V1316 Y1317 Y1322 R1323 | I1199-I1319 HydrophobicContact CD1-CD1 3.77Å; I1199-I1319 HydrophobicContact CD1-CG2 4.13Å; I1199-I1319 HydrophobicContact CG1-CD1 4.35Å; I1199-I1319 HydrophobicContact CG1-CG2 4.36Å; I1199-I1319 HydrophobicContact CG2-CG2 3.84Å; L1274-I1319 HydrophobicContact CD2-CD1 3.71Å; L1274-I1319 HydrophobicContact CD2-CG1 4.19Å; V1277-I1319 HydrophobicContact CG1-CG2 3.96Å; L1280-I1319 HydrophobicContact CD1-CG1 4.34Å; L1280-I1319 HydrophobicContact CD1-CG2 4.2Å; V1288-I1319 HydrophobicContact CG1-CG1 4.31Å; L1315-I1319 HydrophobicContact CD2-CD1 3.58Å; L1315-I1319 HydrophobicContact CG-CD1 4.01Å; L1315-I1319 VanDerWaalsContact O-CG1 3.31Å; L1315-I1319 WeakPolarHBondContact O-CG1 3.37Å; L1315-I1319 PolarHBondContact O-N 2.79Å; V1316-I1319 PolarHBondContact O-N 3.3Å; Y1317-I1319 PolarHBondContact O-N 3.35Å; I1319-Y1322 PolarHBondContact O-N 2.81Å; I1319-R1323 HydrophobicContact CG2-CG 4.46Å; I1319-R1323 WeakPolarHBondContact O-CB 3.39Å; I1319-R1323 WeakPolarHBondContact O-CG 3.33Å; I1319-R1323 PolarHBondContact O-N 3.42Å |
| 1320 | R | 80.8 | Confident | 75 | Confident | 64 Ų | 64 | 58 Ų | 58 | 24% | 0.242 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62.7 | -44.6 | 177.7 | -72.3 | 170.9 | 177.2 | -167.7 | -1.2 | 111.8 | L1198 I1199 N1201 V1316 Y1317 N1318 Y1322 R1323 T1324 | L1198-R1320 PolarHBondContact O-NH2 2.98Å; I1199-R1320 HydrophobicContact CG2-CG 4.46Å; I1199-R1320 PolarHBondContact O-NE 3.05Å; I1199-R1320 PolarHBondContact O-NH2 3.39Å; N1201-R1320 PolarHBondContact ND2-NH1 3.05Å; N1201-R1320 PolarHBondContact OD1-NH1 3.24Å; N1201-R1320 PolarHBondContact OD1-NH2 3.14Å; V1316-R1320 VanDerWaalsContact O-CG 3.28Å; V1316-R1320 WeakPolarHBondContact O-CG 3.28Å; V1316-R1320 PolarHBondContact O-N 3.46Å; V1316-R1320 VanDerWaalsContact O-N 3.07Å; Y1317-R1320 PolarHBondContact O-N 3.49Å; N1318-R1320 VanDerWaalsContact C-N 3.33Å; N1318-R1320 PolarHBondContact O-N 3.46Å; R1320-Y1322 VanDerWaalsContact C-N 3.35Å; R1320-Y1322 PolarHBondContact O-N 3.4Å; R1320-R1323 PolarHBondContact O-N 3.22Å; R1320-T1324 WeakPolarHBondContact O-CG2 3.47Å; R1320-T1324 PolarHBondContact O-N 3.02Å; R1320-T1324 PolarHBondContact O-OG1 3.17Å |
| 1321 | Y | 79 | Confident | 73.4 | Confident | 121 Ų | 121 | 57.2 Ų | 57.2 | 48% | 0.475 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -58.3 | -44.8 | 177.4 | 178.4 | -100.8 | 0 | 0 | 0 | 112 | Y1317 N1318 T1324 I1325 | Y1317-Y1321 WeakPolarHBondContact O-CB 3.33Å; Y1317-Y1321 PolarHBondContact O-N 3.21Å; N1318-Y1321 PolarHBondContact O-N 3.34Å; Y1321-T1324 PolarHBondContact O-OG1 2.84Å; Y1321-I1325 HydrophobicContact CD1-CD1 3.78Å; Y1321-I1325 HydrophobicContact CD2-CD1 4.41Å; Y1321-I1325 HydrophobicContact CE1-CD1 3.29Å; Y1321-I1325 HydrophobicContact CE2-CD1 3.98Å; Y1321-I1325 HydrophobicContact CG-CD1 4.32Å; Y1321-I1325 VanDerWaalsContact CZ-CD1 3.4Å; Y1321-I1325 WeakPolarHBondContact O-CG1 3.42Å; Y1321-I1325 PolarHBondContact O-N 3.42Å |
| 1322 | Y | 76.9 | Confident | 71.8 | Confident | 57 Ų | 57 | 61.6 Ų | 61.6 | 22% | 0.224 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -70.9 | -37.4 | 176.7 | -70.2 | -59.4 | 0 | 0 | 0 | 112.8 | L1280 Q1284 S1287 V1288 N1318 I1319 R1320 T1324 I1325 N1326 | L1280-Y1322 VanDerWaalsContact CD2-CB 3.43Å; L1280-Y1322 HydrophobicContact CD2-CG 4.36Å; Q1284-Y1322 HydrophobicContact CB-CD1 4.3Å; Q1284-Y1322 HydrophobicContact CB-CD2 4.38Å; Q1284-Y1322 HydrophobicContact CB-CG 4.22Å; Q1284-Y1322 HydrophobicContact CG-CD1 3.81Å; Q1284-Y1322 HydrophobicContact CG-CE1 4.06Å; Q1284-Y1322 HydrophobicContact CG-CG 4.2Å; S1287-Y1322 PolarHBondContact OG-OH 2.89Å; V1288-Y1322 HydrophobicContact CG2-CD2 3.81Å; V1288-Y1322 HydrophobicContact CG2-CE2 3.68Å; N1318-Y1322 HydrophobicContact CB-CE2 4.41Å; N1318-Y1322 WeakPolarHBondContact O-CD2 3.44Å; N1318-Y1322 PolarHBondContact O-N 3.42Å; I1319-Y1322 PolarHBondContact O-N 2.81Å; R1320-Y1322 VanDerWaalsContact C-N 3.35Å; R1320-Y1322 PolarHBondContact O-N 3.4Å; Y1322-T1324 PolarHBondContact O-N 3.33Å; Y1322-I1325 PolarHBondContact O-N 3.35Å; Y1322-N1326 WeakPolarHBondContact O-CB 3.31Å; Y1322-N1326 VanDerWaalsContact O-CG 3.25Å; Y1322-N1326 PolarHBondContact O-N 3.2Å; Y1322-N1326 PolarHBondContact O-ND2 3.41Å |
| 1323 | R | 78 | Confident | 69.9 | Low | 51 Ų | 51 | 64.8 Ų | 64.8 | 19% | 0.192 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -60.2 | -44.1 | 174.9 | -82.7 | -175.6 | 167.9 | -175.9 | 0.5 | 111.9 | I1199 D1200 G1278 N1279 I1319 R1320 N1326 L1327 | I1199-R1323 VanDerWaalsContact CG2-NH1 3.32Å; D1200-R1323 IonicContact OD1-NH1 3.67Å; D1200-R1323 PolarHBondContact OD1-NH1 3.06Å; G1278-R1323 PolarHBondContact O-NE 3.46Å; N1279-R1323 HydrophobicContact CB-CG 4.4Å; I1319-R1323 HydrophobicContact CG2-CG 4.46Å; I1319-R1323 WeakPolarHBondContact O-CB 3.39Å; I1319-R1323 WeakPolarHBondContact O-CG 3.33Å; I1319-R1323 PolarHBondContact O-N 3.42Å; R1320-R1323 PolarHBondContact O-N 3.22Å; R1323-N1326 PolarHBondContact O-N 2.93Å; R1323-L1327 WeakPolarHBondContact O-CB 3.32Å; R1323-L1327 WeakPolarHBondContact O-CD1 3.33Å; R1323-L1327 VanDerWaalsContact O-CG 3.3Å; R1323-L1327 WeakPolarHBondContact O-CG 3.5Å; R1323-L1327 PolarHBondContact O-N 2.78Å |
| 1324 | T | 74.2 | Confident | 68 | Low | 91 Ų | 91 | 67.5 Ų | 67.5 | 56% | 0.558 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -66.6 | -40.2 | 179.5 | 51.6 | 0 | 0 | 0 | 0 | 111.9 | R1320 Y1321 Y1322 G1328 | R1320-T1324 WeakPolarHBondContact O-CG2 3.47Å; R1320-T1324 PolarHBondContact O-N 3.02Å; R1320-T1324 PolarHBondContact O-OG1 3.17Å; Y1321-T1324 PolarHBondContact O-OG1 2.84Å; Y1322-T1324 PolarHBondContact O-N 3.33Å; T1324-G1328 PolarHBondContact O-N 3.41Å |
| 1325 | I | 73.7 | Confident | 66.1 | Low | 59 Ų | 59 | 68.4 Ų | 68.4 | 30% | 0.303 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -62.2 | -48.6 | 175.1 | -70.5 | 169.7 | 0 | 0 | 0 | 111.3 | Y1321 Y1322 G1328 M1329 | Y1321-I1325 HydrophobicContact CD1-CD1 3.78Å; Y1321-I1325 HydrophobicContact CD2-CD1 4.41Å; Y1321-I1325 HydrophobicContact CE1-CD1 3.29Å; Y1321-I1325 HydrophobicContact CE2-CD1 3.98Å; Y1321-I1325 HydrophobicContact CG-CD1 4.32Å; Y1321-I1325 VanDerWaalsContact CZ-CD1 3.4Å; Y1321-I1325 WeakPolarHBondContact O-CG1 3.42Å; Y1321-I1325 PolarHBondContact O-N 3.42Å; Y1322-I1325 PolarHBondContact O-N 3.35Å; I1325-G1328 PolarHBondContact O-N 3.43Å; I1325-M1329 WeakPolarHBondContact O-CG 3.25Å; I1325-M1329 PolarHBondContact O-N 2.98Å |
| 1326 | N | 73.2 | Confident | 64.3 | Low | 24 Ų | 24 | 73.4 Ų | 73.4 | 13% | 0.128 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -67.8 | -38.4 | -177.1 | -68.3 | -13.4 | 0 | 0 | 0 | 111.6 | N1279 Q1284 Y1322 R1323 M1329 T1330 | N1279-N1326 PolarHBondContact O-ND2 3.19Å; Q1284-N1326 PolarHBondContact NE2-ND2 2.88Å; Q1284-N1326 PolarHBondContact NE2-OD1 2.79Å; Q1284-N1326 PolarHBondContact OE1-ND2 3.03Å; Y1322-N1326 WeakPolarHBondContact O-CB 3.31Å; Y1322-N1326 VanDerWaalsContact O-CG 3.25Å; Y1322-N1326 PolarHBondContact O-N 3.2Å; Y1322-N1326 PolarHBondContact O-ND2 3.41Å; R1323-N1326 PolarHBondContact O-N 2.93Å; N1326-M1329 PolarHBondContact O-N 3.25Å; N1326-T1330 WeakPolarHBondContact O-CG2 3.44Å; N1326-T1330 PolarHBondContact O-N 2.73Å; N1326-T1330 PolarHBondContact O-OG1 3Å |
| 1327 | L | 67.3 | Low | 62.3 | Low | 88 Ų | 88 | 76.5 Ų | 76.5 | 46% | 0.461 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -62.6 | -44.7 | 172.9 | -77.1 | 166.4 | 0 | 0 | 0 | 111.5 | R1323 M1329 T1330 T1331 | R1323-L1327 WeakPolarHBondContact O-CB 3.32Å; R1323-L1327 WeakPolarHBondContact O-CD1 3.33Å; R1323-L1327 VanDerWaalsContact O-CG 3.3Å; R1323-L1327 WeakPolarHBondContact O-CG 3.5Å; R1323-L1327 PolarHBondContact O-N 2.78Å; L1327-M1329 VanDerWaalsContact C-N 3.33Å; L1327-M1329 PolarHBondContact O-N 3.03Å; L1327-T1330 WeakPolarHBondContact CA-OG1 3.45Å; L1327-T1330 PolarHBondContact O-N 3.24Å; L1327-T1330 PolarHBondContact O-OG1 2.96Å; L1327-T1331 PolarHBondContact O-N 3.38Å; L1327-T1331 VanDerWaalsContact O-N 3.12Å; L1327-T1331 PolarHBondContact O-OG1 3.14Å |
| 1328 | G | 60.9 | Low | 60.3 | Low | 34 Ų | 34 | 78 Ų | 78 | 35% | 0.351 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -58.5 | -42.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | T1324 I1325 T1331 V1332 | T1324-G1328 PolarHBondContact O-N 3.41Å; I1325-G1328 PolarHBondContact O-N 3.43Å; G1328-T1331 PolarHBondContact O-N 3.34Å; G1328-T1331 PolarHBondContact O-OG1 3.46Å; G1328-V1332 WeakPolarHBondContact O-CG2 3.32Å; G1328-V1332 PolarHBondContact O-N 2.88Å |
| 1329 | M | 54.7 | Low | 58.2 | Low | 134 Ų | 134 | 85 Ų | 85 | 66% | 0.66 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -64.2 | -41.8 | 175.2 | -71.2 | -97.5 | -139.4 | 0 | 0 | 112.4 | I1325 N1326 L1327 T1331 V1332 S1333 | I1325-M1329 WeakPolarHBondContact O-CG 3.25Å; I1325-M1329 PolarHBondContact O-N 2.98Å; N1326-M1329 PolarHBondContact O-N 3.25Å; L1327-M1329 VanDerWaalsContact C-N 3.33Å; L1327-M1329 PolarHBondContact O-N 3.03Å; M1329-T1331 VanDerWaalsContact C-N 3.34Å; M1329-T1331 PolarHBondContact O-N 3.41Å; M1329-V1332 PolarHBondContact O-N 2.82Å; M1329-V1332 VanDerWaalsContact O-N 3.17Å; M1329-S1333 PolarHBondContact O-N 3.48Å |
| 1330 | T | 51.6 | Low | 57.1 | Low | 69 Ų | 69 | 89.2 Ų | 89.2 | 42% | 0.423 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.7 | -37.7 | 178.5 | 53.8 | 0 | 0 | 0 | 0 | 112.6 | N1326 L1327 V1332 S1333 L1334 | N1326-T1330 WeakPolarHBondContact O-CG2 3.44Å; N1326-T1330 PolarHBondContact O-N 2.73Å; N1326-T1330 PolarHBondContact O-OG1 3Å; L1327-T1330 WeakPolarHBondContact CA-OG1 3.45Å; L1327-T1330 PolarHBondContact O-N 3.24Å; L1327-T1330 PolarHBondContact O-OG1 2.96Å; T1330-V1332 VanDerWaalsContact C-N 3.29Å; T1330-V1332 PolarHBondContact O-N 3.32Å; T1330-S1333 WeakPolarHBondContact CA-OG 3.35Å; T1330-S1333 PolarHBondContact O-N 3Å; T1330-S1333 VanDerWaalsContact O-N 3.16Å; T1330-S1333 PolarHBondContact O-OG 3.39Å; T1330-L1334 PolarHBondContact O-N 2.79Å |
| 1331 | T | 45.6 | Very low | 55.8 | Low | 97 Ų | 97 | 90.5 Ų | 90.5 | 60% | 0.595 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -64.3 | -32.6 | 174.8 | 48 | 0 | 0 | 0 | 0 | 113 | L1327 G1328 M1329 | L1327-T1331 PolarHBondContact O-N 3.38Å; L1327-T1331 VanDerWaalsContact O-N 3.12Å; L1327-T1331 PolarHBondContact O-OG1 3.14Å; G1328-T1331 PolarHBondContact O-N 3.34Å; G1328-T1331 PolarHBondContact O-OG1 3.46Å; M1329-T1331 VanDerWaalsContact C-N 3.34Å; M1329-T1331 PolarHBondContact O-N 3.41Å |
| 1332 | V | 44.7 | Very low | 54.6 | Low | 93 Ų | 93 | 88.8 Ų | 88.8 | 56% | 0.564 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -72.6 | -35.9 | 173.9 | 177.8 | 0 | 0 | 0 | 0 | 111.3 | G1328 M1329 T1330 | G1328-V1332 WeakPolarHBondContact O-CG2 3.32Å; G1328-V1332 PolarHBondContact O-N 2.88Å; M1329-V1332 PolarHBondContact O-N 2.82Å; M1329-V1332 VanDerWaalsContact O-N 3.17Å; T1330-V1332 VanDerWaalsContact C-N 3.29Å; T1330-V1332 PolarHBondContact O-N 3.32Å |
| 1333 | S | 41.7 | Very low | 53.3 | Low | 68 Ų | 68 | 90.7 Ų | 90.7 | 48% | 0.476 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -72.6 | -36.4 | -179.1 | 71.3 | 0 | 0 | 0 | 0 | 114.2 | M1329 T1330 A1335 N1336 S1337 | M1329-S1333 PolarHBondContact O-N 3.48Å; T1330-S1333 WeakPolarHBondContact CA-OG 3.35Å; T1330-S1333 PolarHBondContact O-N 3Å; T1330-S1333 VanDerWaalsContact O-N 3.16Å; T1330-S1333 PolarHBondContact O-OG 3.39Å; S1333-A1335 VanDerWaalsContact C-N 3.33Å; S1333-A1335 PolarHBondContact O-N 3.35Å; S1333-N1336 PolarHBondContact O-N 2.59Å; S1333-N1336 VanDerWaalsContact O-N 3.16Å; S1333-S1337 PolarHBondContact O-N 3.04Å |
| 1334 | L | 39.9 | Very low | 51.7 | Low | 125 Ų | 125 | 93.2 Ų | 93.2 | 65% | 0.654 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -68.4 | -33.5 | 177.4 | -87.1 | 159.8 | 0 | 0 | 0 | 112 | T1330 N1336 S1337 | T1330-L1334 PolarHBondContact O-N 2.79Å; L1334-N1336 PolarHBondContact O-N 3.2Å; L1334-S1337 PolarHBondContact O-N 3.09Å; L1334-S1337 PolarHBondContact O-OG 2.79Å |
| 1335 | A | 41.4 | Very low | 50.2 | Low | 72 Ų | 72 | 93.3 Ų | 93.3 | 60% | 0.595 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -63.3 | -26.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113 | S1333 | S1333-A1335 VanDerWaalsContact C-N 3.33Å; S1333-A1335 PolarHBondContact O-N 3.35Å |
| 1336 | N | 42.2 | Very low | 48.5 | Very low | 109 Ų | 109 | 95.8 Ų | 95.8 | 58% | 0.583 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.1 | 3.7 | -178.2 | -73.9 | -10.7 | 0 | 0 | 0 | 114.6 | S1333 L1334 T1339 | S1333-N1336 PolarHBondContact O-N 2.59Å; S1333-N1336 VanDerWaalsContact O-N 3.16Å; L1334-N1336 PolarHBondContact O-N 3.2Å; N1336-T1339 PolarHBondContact O-OG1 2.92Å |
| 1337 | S | 41.1 | Very low | 46.6 | Very low | 74 Ų | 74 | 101.3 Ų | 101.3 | 52% | 0.517 | 60% | 0.598 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -94.5 | 1.2 | 177.5 | 66.5 | 0 | 0 | 0 | 0 | 114.7 | S1333 L1334 | S1333-S1337 PolarHBondContact O-N 3.04Å; L1334-S1337 PolarHBondContact O-N 3.09Å; L1334-S1337 PolarHBondContact O-OG 2.79Å |
| 1338 | H | 38.7 | Very low | 44.9 | Very low | 181 Ų | 181 | 102.4 Ų | 102.4 | 84% | 0.838 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116 | 47.5 | 166.3 | -73.8 | -42.4 | 0 | 0 | 0 | 111.9 | ||
| 1339 | T | 36.5 | Very low | 43.5 | Very low | 173 Ų | 173 | 108.6 Ų | 108.6 | 100% | 1.061 | 63% | 0.633 | S | S | * | * | trans | -138 | 0 | 156.3 | 55 | 0 | 0 | 0 | 0 | 107.4 | N1336 | N1336-T1339 PolarHBondContact O-OG1 2.92Š|
Retrieved 1,339 of 1,339 residues in 413.6 ms
(Link to these results)