| 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 | 35.8 | Very low | 50.2 | Low | 196 Ų | 196 | 95 Ų | 95 | 97% | 0.966 | 49% | 0.494 | S | S | * | . | 0 | -49 | 0 | -86.4 | -171.3 | 130.7 | 0 | 0 | 114.1 | S3 | M1-S3 PolarHBondContact O-N 2.77Š| |||
| 2 | I | 39 | Very low | 51.5 | Low | 112 Ų | 112 | 93.4 Ų | 93.4 | 57% | 0.574 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -67 | -33.4 | 178.8 | -60.2 | 174.7 | 0 | 0 | 0 | 112.4 | A6 P38 | I2-A6 WeakPolarHBondContact O-CB 3.07Å; I2-A6 PolarHBondContact O-N 3.04Å; I2-P38 HydrophobicContact CG2-CG 4.2Å |
| 3 | S | 46.7 | Very low | 52.5 | Low | 86 Ų | 86 | 86.3 Ų | 86.3 | 60% | 0.601 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -70 | -34.7 | 178.7 | 63.7 | 0 | 0 | 0 | 0 | 114 | M1 A6 F7 | M1-S3 PolarHBondContact O-N 2.77Å; S3-A6 PolarHBondContact O-N 3.21Å; S3-F7 PolarHBondContact O-N 2.78Å |
| 4 | E | 45.8 | Very low | 53.2 | Low | 142 Ų | 142 | 88 Ų | 88 | 66% | 0.664 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -73.9 | -41.9 | -176.5 | -152.3 | 172.4 | -157.3 | 0 | 0 | 111.3 | A6 F7 T8 | E4-A6 VanDerWaalsContact C-N 3.35Å; E4-F7 PolarHBondContact O-N 3Å; E4-T8 PolarHBondContact O-N 2.67Å; E4-T8 PolarHBondContact O-OG1 3.29Å |
| 5 | K | 47.9 | Very low | 54.1 | Low | 158 Ų | 158 | 83.8 Ų | 83.8 | 69% | 0.687 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -63.3 | -38 | 170.9 | -75.9 | -170.5 | 176.8 | -176.1 | 0 | 112.3 | T8 F9 | K5-T8 VanDerWaalsContact CA-OG1 3.31Å; K5-T8 WeakPolarHBondContact CA-OG1 3.35Å; K5-T8 PolarHBondContact O-OG1 3.05Å; K5-F9 VanDerWaalsContact O-CB 3.26Å; K5-F9 WeakPolarHBondContact O-CB 3.31Å; K5-F9 PolarHBondContact O-N 3.19Å |
| 6 | A | 49.5 | Very low | 54.8 | Low | 2 Ų | 2 | 88.9 Ų | 88.9 | 2% | 0.017 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -68.4 | -41.4 | 177 | 0 | 0 | 0 | 0 | 0 | 112.1 | I2 S3 E4 F9 H10 Q41 M44 | I2-A6 WeakPolarHBondContact O-CB 3.07Å; I2-A6 PolarHBondContact O-N 3.04Å; S3-A6 PolarHBondContact O-N 3.21Å; E4-A6 VanDerWaalsContact C-N 3.35Å; A6-F9 WeakPolarHBondContact O-CB 3.45Å; A6-F9 PolarHBondContact O-N 3.42Å; A6-H10 PolarHBondContact O-N 2.88Å; A6-H10 VanDerWaalsContact O-N 3.08Å; A6-Q41 HydrophobicContact CB-CG 4.01Å; A6-M44 HydrophobicContact CB-SD 3.83Å; A6-M44 WeakPolarHBondContact O-CE 3.25Å |
| 7 | F | 52.1 | Low | 55.7 | Low | 156 Ų | 156 | 94.4 Ų | 94.4 | 68% | 0.684 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -65.1 | -43.2 | 175.1 | -103.3 | -85.1 | 0 | 0 | 0 | 112.8 | S3 E4 F9 H10 G11 M44 | S3-F7 PolarHBondContact O-N 2.78Å; E4-F7 PolarHBondContact O-N 3Å; F7-F9 VanDerWaalsContact C-N 3.26Å; F7-F9 PolarHBondContact O-N 2.75Å; F7-H10 PolarHBondContact O-N 3.45Å; F7-G11 PolarHBondContact O-N 3.33Å; F7-M44 HydrophobicContact CD2-CE 4.5Å; F7-M44 HydrophobicContact CG-CE 4.38Å |
| 8 | T | 57.3 | Low | 56.4 | Low | 83 Ų | 83 | 92.1 Ų | 92.1 | 51% | 0.509 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -61 | -38.7 | 172.1 | 21.4 | 0 | 0 | 0 | 0 | 110.9 | E4 K5 G11 L12 | E4-T8 PolarHBondContact O-N 2.67Å; E4-T8 PolarHBondContact O-OG1 3.29Å; K5-T8 VanDerWaalsContact CA-OG1 3.31Å; K5-T8 WeakPolarHBondContact CA-OG1 3.35Å; K5-T8 PolarHBondContact O-OG1 3.05Å; T8-G11 PolarHBondContact O-N 2.74Å; T8-L12 WeakPolarHBondContact O-CB 3.08Å; T8-L12 WeakPolarHBondContact O-CG 3.3Å; T8-L12 PolarHBondContact O-N 2.9Å |
| 9 | F | 59.7 | Low | 57.3 | Low | 33 Ų | 33 | 91.1 Ų | 91.1 | 15% | 0.145 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -61.4 | -47.8 | 178.3 | -166.9 | -90.6 | 0 | 0 | 0 | 113.4 | K5 A6 F7 L12 L13 L26 V30 A45 | K5-F9 VanDerWaalsContact O-CB 3.26Å; K5-F9 WeakPolarHBondContact O-CB 3.31Å; K5-F9 PolarHBondContact O-N 3.19Å; A6-F9 WeakPolarHBondContact O-CB 3.45Å; A6-F9 PolarHBondContact O-N 3.42Å; F7-F9 VanDerWaalsContact C-N 3.26Å; F7-F9 PolarHBondContact O-N 2.75Å; F9-L12 PolarHBondContact O-N 3.37Å; F9-L13 HydrophobicContact CD1-CD1 3.95Å; F9-L13 HydrophobicContact CE1-CD1 3.5Å; F9-L13 VanDerWaalsContact CE1-CD1 3.5Å; F9-L13 HydrophobicContact CE1-CG 4.33Å; F9-L13 HydrophobicContact CZ-CD1 4.24Å; F9-L13 PolarHBondContact O-N 2.87Å; F9-L13 VanDerWaalsContact O-N 3.12Å; F9-L26 HydrophobicContact CD2-CD1 4.37Å; F9-L26 HydrophobicContact CD2-CD2 4.22Å; F9-L26 HydrophobicContact CD2-CG 4.35Å; F9-L26 HydrophobicContact CE2-CD1 3.58Å; F9-L26 HydrophobicContact CE2-CD2 3.81Å; F9-L26 HydrophobicContact CE2-CG 3.49Å; F9-L26 VanDerWaalsContact CE2-CG 3.49Å; F9-L26 HydrophobicContact CZ-CD1 4.25Å; F9-L26 HydrophobicContact CZ-CD2 4.12Å; F9-L26 HydrophobicContact CZ-CG 3.7Å; F9-V30 HydrophobicContact CE1-CB 4.39Å; F9-V30 HydrophobicContact CE1-CG1 4.39Å; F9-V30 HydrophobicContact CE1-CG2 4.02Å; F9-V30 HydrophobicContact CE2-CG2 3.63Å; F9-V30 HydrophobicContact CZ-CB 3.9Å; F9-V30 HydrophobicContact CZ-CG1 4.37Å; F9-V30 HydrophobicContact CZ-CG2 3.22Å; F9-A45 HydrophobicContact CE1-CB 3.83Å |
| 10 | H | 56.4 | Low | 58.2 | Low | 36 Ų | 36 | 87.3 Ų | 87.3 | 17% | 0.167 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -66.5 | -37.8 | 175.1 | -173.3 | 42.1 | 0 | 0 | 0 | 112.5 | A6 F7 L12 L13 K14 M44 | A6-H10 PolarHBondContact O-N 2.88Å; A6-H10 VanDerWaalsContact O-N 3.08Å; F7-H10 PolarHBondContact O-N 3.45Å; H10-L12 VanDerWaalsContact C-N 3.35Å; H10-L13 PolarHBondContact O-N 3.44Å; H10-K14 WeakPolarHBondContact CE1-CE 3.28Å; H10-K14 PolarHBondContact CE1-NZ 3.48Å; H10-K14 WeakPolarHBondContact NE2-CE 3.48Å; H10-K14 PolarHBondContact NE2-NZ 3.05Å; H10-K14 PolarHBondContact O-N 3.05Å; H10-K14 VanDerWaalsContact O-N 3.12Å; H10-M44 HydrophobicContact CB-CB 4.07Å; H10-M44 HydrophobicContact CB-CE 3.37Å; H10-M44 HydrophobicContact CB-CG 4.19Å; H10-M44 HydrophobicContact CB-SD 4.35Å |
| 11 | G | 61.9 | Low | 59 | Low | 41 Ų | 41 | 88.3 Ų | 88.3 | 42% | 0.423 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -61.1 | -42 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | F7 T8 K14 S15 | F7-G11 PolarHBondContact O-N 3.33Å; T8-G11 PolarHBondContact O-N 2.74Å; G11-K14 CarbonylContact O-C 3.26Å; G11-K14 PolarHBondContact O-N 2.96Å; G11-S15 WeakPolarHBondContact O-CB 3.36Å; G11-S15 PolarHBondContact O-N 3.2Å |
| 12 | L | 66.5 | Low | 60.8 | Low | 76 Ų | 76 | 80.7 Ų | 80.7 | 40% | 0.398 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -65.4 | -43.9 | 177.4 | -73.5 | 166.3 | 0 | 0 | 0 | 111.7 | T8 F9 H10 K14 S15 L18 L26 | T8-L12 WeakPolarHBondContact O-CB 3.08Å; T8-L12 WeakPolarHBondContact O-CG 3.3Å; T8-L12 PolarHBondContact O-N 2.9Å; F9-L12 PolarHBondContact O-N 3.37Å; H10-L12 VanDerWaalsContact C-N 3.35Å; L12-K14 PolarHBondContact O-N 2.99Å; L12-S15 WeakPolarHBondContact O-CB 3.1Å; L12-S15 PolarHBondContact O-N 3.19Å; L12-S15 VanDerWaalsContact O-N 3.08Å; L12-L18 HydrophobicContact CB-CD1 3.88Å; L12-L18 HydrophobicContact CD2-CD1 3.94Å; L12-L18 HydrophobicContact CG-CD1 4.47Å; L12-L26 HydrophobicContact CB-CD2 4.35Å |
| 13 | L | 64.4 | Low | 62.6 | Low | 1 Ų | 1 | 76 Ų | 76 | 1% | 0.005 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -63.7 | -29.5 | 175.9 | -72.6 | 173 | 0 | 0 | 0 | 113 | F9 H10 R23 L26 A27 A45 | F9-L13 HydrophobicContact CD1-CD1 3.95Å; F9-L13 HydrophobicContact CE1-CD1 3.5Å; F9-L13 VanDerWaalsContact CE1-CD1 3.5Å; F9-L13 HydrophobicContact CE1-CG 4.33Å; F9-L13 HydrophobicContact CZ-CD1 4.24Å; F9-L13 PolarHBondContact O-N 2.87Å; F9-L13 VanDerWaalsContact O-N 3.12Å; H10-L13 PolarHBondContact O-N 3.44Å; L13-R23 HydrophobicContact CD2-CB 4.2Å; L13-R23 WeakPolarHBondContact CD2-O 3.25Å; L13-R23 VanDerWaalsContact O-CD 3.32Å; L13-R23 WeakPolarHBondContact O-CD 3.33Å; L13-L26 HydrophobicContact CD2-CB 4.34Å; L13-L26 HydrophobicContact CD2-CD2 4.05Å; L13-L26 HydrophobicContact CD2-CG 4.47Å; L13-L26 HydrophobicContact CG-CD2 4.22Å; L13-A27 HydrophobicContact CD2-CB 4.3Å; L13-A45 HydrophobicContact CD1-CB 4.48Å |
| 14 | K | 62.3 | Low | 64 | Low | 110 Ų | 110 | 72 Ų | 72 | 48% | 0.478 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -85.4 | -15.9 | 173.1 | -79.2 | -178.7 | 165.2 | 167 | 0 | 114 | H10 G11 L12 Q16 T51 | H10-K14 WeakPolarHBondContact CE1-CE 3.28Å; H10-K14 PolarHBondContact CE1-NZ 3.48Å; H10-K14 WeakPolarHBondContact NE2-CE 3.48Å; H10-K14 PolarHBondContact NE2-NZ 3.05Å; H10-K14 PolarHBondContact O-N 3.05Å; H10-K14 VanDerWaalsContact O-N 3.12Å; G11-K14 CarbonylContact O-C 3.26Å; G11-K14 PolarHBondContact O-N 2.96Å; L12-K14 PolarHBondContact O-N 2.99Å; K14-Q16 PolarHBondContact O-N 3.42Å; K14-T51 HydrophobicContact CG-CG2 4.32Å |
| 15 | S | 66.9 | Low | 65.5 | Low | 25 Ų | 25 | 68 Ų | 68 | 18% | 0.175 | 35% | 0.349 | C | S | . | . | trans | -69.9 | 128.3 | -175.4 | -176.7 | 0 | 0 | 0 | 0 | 110.2 | G11 L12 E17 R23 | G11-S15 WeakPolarHBondContact O-CB 3.36Å; G11-S15 PolarHBondContact O-N 3.2Å; L12-S15 WeakPolarHBondContact O-CB 3.1Å; L12-S15 PolarHBondContact O-N 3.19Å; L12-S15 VanDerWaalsContact O-N 3.08Å; S15-E17 PolarHBondContact O-N 3.01Å; S15-E17 VanDerWaalsContact OG-CB 3.3Å; S15-E17 WeakPolarHBondContact OG-CB 3.46Å; S15-E17 WeakPolarHBondContact OG-CG 3.2Å; S15-E17 PolarHBondContact OG-N 3.36Å; S15-E17 VanDerWaalsContact OG-N 3.1Å; S15-R23 WeakPolarHBondContact O-CD 3.41Å | ||
| 16 | Q | 65.1 | Low | 66.7 | Low | 165 Ų | 165 | 62.7 Ų | 62.7 | 77% | 0.771 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.7 | -9.4 | 170.1 | -67.6 | -176.9 | -10.1 | 0 | 0 | 112.3 | K14 L18 | K14-Q16 PolarHBondContact O-N 3.42Å; Q16-L18 VanDerWaalsContact C-N 3.32Å |
| 17 | E | 69.2 | Low | 67.9 | Low | 182 Ų | 182 | 62.6 Ų | 62.6 | 85% | 0.85 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.9 | -24.8 | 178.1 | -59.5 | 178.1 | 159.2 | 0 | 0 | 112.7 | S15 | S15-E17 PolarHBondContact O-N 3.01Å; S15-E17 VanDerWaalsContact OG-CB 3.3Å; S15-E17 WeakPolarHBondContact OG-CB 3.46Å; S15-E17 WeakPolarHBondContact OG-CG 3.2Å; S15-E17 PolarHBondContact OG-N 3.36Å; S15-E17 VanDerWaalsContact OG-N 3.1Å |
| 18 | L | 68.8 | Low | 69 | Low | 54 Ų | 54 | 57.8 Ų | 57.8 | 28% | 0.283 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -89.1 | 135.9 | 175.3 | -71.5 | 177.5 | 0 | 0 | 0 | 110.7 | L12 Q16 A22 R23 | L12-L18 HydrophobicContact CB-CD1 3.88Å; L12-L18 HydrophobicContact CD2-CD1 3.94Å; L12-L18 HydrophobicContact CG-CD1 4.47Å; Q16-L18 VanDerWaalsContact C-N 3.32Å; L18-A22 HydrophobicContact CB-CB 4.44Å; L18-A22 HydrophobicContact CD2-CB 4.39Å; L18-R23 HydrophobicContact CB-CG 3.6Å; L18-R23 HydrophobicContact CD1-CG 4.21Å; L18-R23 PolarHBondContact O-NE 2.97Å |
| 19 | S | 73.2 | Confident | 69.8 | Low | 73 Ų | 73 | 60.4 Ų | 60.4 | 51% | 0.51 | 31% | 0.311 | S | S | . | . | trans | -56.9 | 154.1 | 171.1 | 68.5 | 0 | 0 | 0 | 0 | 110.8 | E21 A22 R23 | S19-E21 VanDerWaalsContact C-N 3.29Å; S19-E21 PolarHBondContact O-N 3.35Å; S19-A22 PolarHBondContact O-N 3.31Å; S19-A22 VanDerWaalsContact OG-CB 3.31Å; S19-A22 WeakPolarHBondContact OG-CB 3.33Å; S19-A22 PolarHBondContact OG-N 3.13Å; S19-R23 WeakPolarHBondContact O-CG 3.32Å; S19-R23 PolarHBondContact O-N 3.18Å | ||
| 20 | W | 74.9 | Confident | 70.4 | Confident | 14 Ų | 14 | 59.5 Ų | 59.5 | 5% | 0.053 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -54.2 | -47.8 | 176.6 | 179.8 | -87.9 | 0 | 0 | 0 | 111.6 | A22 R23 L24 L52 I56 C59 A61 M69 | W20-A22 VanDerWaalsContact C-N 3.33Å; W20-A22 PolarHBondContact O-N 3Å; W20-R23 PolarHBondContact O-N 2.76Å; W20-R23 VanDerWaalsContact O-N 3.14Å; W20-L24 WeakPolarHBondContact O-CB 3.49Å; W20-L24 PolarHBondContact O-N 3.22Å; W20-L52 HydrophobicContact CD2-CD2 4.39Å; W20-L52 HydrophobicContact CE3-CD2 3.72Å; W20-L52 HydrophobicContact CH2-CB 3.7Å; W20-L52 HydrophobicContact CH2-CD2 4.33Å; W20-L52 WeakPolarHBondContact CH2-O 3.25Å; W20-L52 HydrophobicContact CZ2-CB 4.3Å; W20-L52 HydrophobicContact CZ3-CB 3.86Å; W20-L52 HydrophobicContact CZ3-CD2 3.69Å; W20-L52 HydrophobicContact CZ3-CG 4.38Å; W20-L52 WeakPolarHBondContact CZ3-O 3.22Å; W20-I56 HydrophobicContact CH2-CG1 3.76Å; W20-I56 HydrophobicContact CZ2-CG1 4.38Å; W20-C59 HydrophobicContact CD2-CB 4.47Å; W20-C59 HydrophobicContact CE3-CB 3.42Å; W20-C59 VanDerWaalsContact CE3-CB 3.42Å; W20-C59 HydrophobicContact CZ3-CB 3.72Å; W20-A61 HydrophobicContact CD2-CB 3.89Å; W20-A61 HydrophobicContact CE3-CB 4.31Å; W20-A61 HydrophobicContact CG-CB 4.17Å; W20-A61 HydrophobicContact CZ2-CB 4.17Å; W20-M69 HydrophobicContact CH2-SD 4.43Å; W20-M69 HydrophobicContact CZ2-SD 4.01Å |
| 21 | E | 75.2 | Confident | 71 | Confident | 110 Ų | 110 | 57.9 Ų | 57.9 | 51% | 0.514 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -57.8 | -42.3 | 177.5 | -165.1 | -170 | 169 | 0 | 0 | 112.3 | S19 R23 L24 N25 | S19-E21 VanDerWaalsContact C-N 3.29Å; S19-E21 PolarHBondContact O-N 3.35Å; E21-R23 PolarHBondContact O-N 2.93Å; E21-L24 PolarHBondContact O-N 2.76Å; E21-N25 VanDerWaalsContact O-CB 3.29Å; E21-N25 WeakPolarHBondContact O-CB 3.43Å; E21-N25 VanDerWaalsContact O-CG 3.31Å; E21-N25 PolarHBondContact O-N 2.93Å; E21-N25 PolarHBondContact O-ND2 3.06Å |
| 22 | A | 74.5 | Confident | 71.3 | Confident | 36 Ų | 36 | 58.1 Ų | 58.1 | 30% | 0.298 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -65 | -40.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112 | L18 S19 W20 L26 | L18-A22 HydrophobicContact CB-CB 4.44Å; L18-A22 HydrophobicContact CD2-CB 4.39Å; S19-A22 PolarHBondContact O-N 3.31Å; S19-A22 VanDerWaalsContact OG-CB 3.31Å; S19-A22 WeakPolarHBondContact OG-CB 3.33Å; S19-A22 PolarHBondContact OG-N 3.13Å; W20-A22 VanDerWaalsContact C-N 3.33Å; W20-A22 PolarHBondContact O-N 3Å; A22-L26 VanDerWaalsContact O-CB 3.26Å; A22-L26 WeakPolarHBondContact O-CB 3.38Å; A22-L26 PolarHBondContact O-N 3.2Å |
| 23 | R | 76.3 | Confident | 71.4 | Confident | 14 Ų | 14 | 58.3 Ų | 58.3 | 5% | 0.053 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -67.3 | -40.8 | 176.3 | -68.4 | -178.4 | -80.6 | 160.3 | -0.3 | 111.5 | L13 S15 L18 S19 W20 E21 L26 A27 L52 | L13-R23 HydrophobicContact CD2-CB 4.2Å; L13-R23 WeakPolarHBondContact CD2-O 3.25Å; L13-R23 VanDerWaalsContact O-CD 3.32Å; L13-R23 WeakPolarHBondContact O-CD 3.33Å; S15-R23 WeakPolarHBondContact O-CD 3.41Å; L18-R23 HydrophobicContact CB-CG 3.6Å; L18-R23 HydrophobicContact CD1-CG 4.21Å; L18-R23 PolarHBondContact O-NE 2.97Å; S19-R23 WeakPolarHBondContact O-CG 3.32Å; S19-R23 PolarHBondContact O-N 3.18Å; W20-R23 PolarHBondContact O-N 2.76Å; W20-R23 VanDerWaalsContact O-N 3.14Å; E21-R23 PolarHBondContact O-N 2.93Å; R23-L26 PolarHBondContact O-N 3.49Å; R23-A27 PolarHBondContact O-N 3.12Å; R23-L52 HydrophobicContact CB-CD1 4.1Å; R23-L52 HydrophobicContact CB-CD2 4.15Å |
| 24 | L | 75.6 | Confident | 70.8 | Confident | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -66.9 | -48.1 | 177.7 | -179.1 | 60.8 | 0 | 0 | 0 | 112.1 | W20 E21 L26 A27 Q28 L49 Q68 M69 | W20-L24 WeakPolarHBondContact O-CB 3.49Å; W20-L24 PolarHBondContact O-N 3.22Å; E21-L24 PolarHBondContact O-N 2.76Å; L24-L26 PolarHBondContact O-N 3.43Å; L24-A27 WeakPolarHBondContact O-CB 3.43Å; L24-A27 PolarHBondContact O-N 2.89Å; L24-A27 VanDerWaalsContact O-N 3.09Å; L24-Q28 PolarHBondContact O-N 3.41Å; L24-L49 HydrophobicContact CD1-CD2 4.16Å; L24-Q68 HydrophobicContact CD2-CB 3.81Å; L24-Q68 HydrophobicContact CD2-CG 3.74Å; L24-M69 HydrophobicContact CD1-CB 3.89Å; L24-M69 HydrophobicContact CD1-CG 4.19Å; L24-M69 HydrophobicContact CD2-CB 4.35Å |
| 25 | N | 77 | Confident | 70.7 | Confident | 58 Ų | 58 | 60.4 Ų | 60.4 | 31% | 0.31 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -59 | -37.9 | 175.7 | -78.1 | -31.3 | 0 | 0 | 0 | 111.7 | E21 K29 | E21-N25 VanDerWaalsContact O-CB 3.29Å; E21-N25 WeakPolarHBondContact O-CB 3.43Å; E21-N25 VanDerWaalsContact O-CG 3.31Å; E21-N25 PolarHBondContact O-N 2.93Å; E21-N25 PolarHBondContact O-ND2 3.06Å; N25-K29 WeakPolarHBondContact O-CG 3.32Å; N25-K29 PolarHBondContact O-N 3.13Å; N25-K29 VanDerWaalsContact O-N 3.14Å |
| 26 | L | 74.5 | Confident | 70.2 | Confident | 47 Ų | 47 | 65.8 Ų | 65.8 | 25% | 0.246 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -65.6 | -42.1 | 175.3 | -172.3 | 69.8 | 0 | 0 | 0 | 111.8 | F9 L12 L13 A22 R23 L24 | F9-L26 HydrophobicContact CD2-CD1 4.37Å; F9-L26 HydrophobicContact CD2-CD2 4.22Å; F9-L26 HydrophobicContact CD2-CG 4.35Å; F9-L26 HydrophobicContact CE2-CD1 3.58Å; F9-L26 HydrophobicContact CE2-CD2 3.81Å; F9-L26 HydrophobicContact CE2-CG 3.49Å; F9-L26 VanDerWaalsContact CE2-CG 3.49Å; F9-L26 HydrophobicContact CZ-CD1 4.25Å; F9-L26 HydrophobicContact CZ-CD2 4.12Å; F9-L26 HydrophobicContact CZ-CG 3.7Å; L12-L26 HydrophobicContact CB-CD2 4.35Å; L13-L26 HydrophobicContact CD2-CB 4.34Å; L13-L26 HydrophobicContact CD2-CD2 4.05Å; L13-L26 HydrophobicContact CD2-CG 4.47Å; L13-L26 HydrophobicContact CG-CD2 4.22Å; A22-L26 VanDerWaalsContact O-CB 3.26Å; A22-L26 WeakPolarHBondContact O-CB 3.38Å; A22-L26 PolarHBondContact O-N 3.2Å; R23-L26 PolarHBondContact O-N 3.49Å; L24-L26 PolarHBondContact O-N 3.43Å |
| 27 | A | 74.2 | Confident | 70 | Confident | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -65.9 | -42.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | L13 R23 L24 K29 V30 L31 L49 | L13-A27 HydrophobicContact CD2-CB 4.3Å; R23-A27 PolarHBondContact O-N 3.12Å; L24-A27 WeakPolarHBondContact O-CB 3.43Å; L24-A27 PolarHBondContact O-N 2.89Å; L24-A27 VanDerWaalsContact O-N 3.09Å; A27-K29 VanDerWaalsContact C-N 3.34Å; A27-K29 PolarHBondContact O-N 3.23Å; A27-V30 PolarHBondContact O-N 3.43Å; A27-V30 VanDerWaalsContact O-N 3.09Å; A27-L31 HydrophobicContact CB-CD1 4.42Å; A27-L31 WeakPolarHBondContact O-CB 3.49Å; A27-L31 WeakPolarHBondContact O-CG 3.33Å; A27-L31 PolarHBondContact O-N 3.27Å; A27-L49 HydrophobicContact CB-CD2 3.47Å; A27-L49 VanDerWaalsContact CB-CD2 3.47Å; A27-L49 HydrophobicContact CB-CG 3.83Å |
| 28 | Q | 75.6 | Confident | 69.8 | Low | 55 Ų | 55 | 54.2 Ų | 54.2 | 26% | 0.257 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -58.6 | -44.7 | 177.5 | -176 | 178.3 | -13.5 | 0 | 0 | 111.7 | L24 V30 L31 V32 T72 | L24-Q28 PolarHBondContact O-N 3.41Å; Q28-V30 PolarHBondContact O-N 3.11Å; Q28-L31 PolarHBondContact O-N 2.71Å; Q28-V32 HydrophobicContact CG-CB 4.42Å; Q28-V32 HydrophobicContact CG-CG2 4.31Å; Q28-V32 WeakPolarHBondContact O-CB 3.31Å; Q28-V32 PolarHBondContact O-N 3.46Å; Q28-T72 HydrophobicContact CB-CG2 4.07Å; Q28-T72 HydrophobicContact CG-CG2 4.25Å |
| 29 | K | 74.8 | Confident | 69.7 | Low | 139 Ų | 139 | 55.2 Ų | 55.2 | 60% | 0.604 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -61.1 | -22.9 | 176.8 | -76.7 | -179.9 | 179.1 | 179.9 | 0 | 114.4 | N25 A27 D33 | N25-K29 WeakPolarHBondContact O-CG 3.32Å; N25-K29 PolarHBondContact O-N 3.13Å; N25-K29 VanDerWaalsContact O-N 3.14Å; A27-K29 VanDerWaalsContact C-N 3.34Å; A27-K29 PolarHBondContact O-N 3.23Å; K29-D33 WeakPolarHBondContact CA-OD2 2.99Å; K29-D33 WeakPolarHBondContact O-CB 3.17Å |
| 30 | V | 71.6 | Confident | 69.3 | Low | 13 Ų | 13 | 56.6 Ų | 56.6 | 8% | 0.079 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -97.7 | -33.7 | -180 | 163.9 | 0 | 0 | 0 | 0 | 112.4 | F9 A27 Q28 L37 A45 | F9-V30 HydrophobicContact CE1-CB 4.39Å; F9-V30 HydrophobicContact CE1-CG1 4.39Å; F9-V30 HydrophobicContact CE1-CG2 4.02Å; F9-V30 HydrophobicContact CE2-CG2 3.63Å; F9-V30 HydrophobicContact CZ-CB 3.9Å; F9-V30 HydrophobicContact CZ-CG1 4.37Å; F9-V30 HydrophobicContact CZ-CG2 3.22Å; A27-V30 PolarHBondContact O-N 3.43Å; A27-V30 VanDerWaalsContact O-N 3.09Å; Q28-V30 PolarHBondContact O-N 3.11Å; V30-L37 HydrophobicContact CB-CD1 4.07Å; V30-L37 HydrophobicContact CG1-CD1 3.83Å; V30-L37 HydrophobicContact CG2-CD1 4.13Å; V30-L37 VanDerWaalsContact O-CD1 3.24Å; V30-L37 WeakPolarHBondContact O-CD1 3.46Å; V30-A45 HydrophobicContact CB-CB 4.12Å; V30-A45 HydrophobicContact CG1-CB 3.41Å; V30-A45 VanDerWaalsContact CG1-CB 3.41Å |
| 31 | L | 69 | Low | 69 | Low | 3 Ų | 3 | 57.5 Ų | 57.5 | 2% | 0.016 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -90 | -36.3 | -174.1 | -66.1 | 170.2 | 0 | 0 | 0 | 112.8 | A27 Q28 I42 A45 L49 F76 | A27-L31 HydrophobicContact CB-CD1 4.42Å; A27-L31 WeakPolarHBondContact O-CB 3.49Å; A27-L31 WeakPolarHBondContact O-CG 3.33Å; A27-L31 PolarHBondContact O-N 3.27Å; Q28-L31 PolarHBondContact O-N 2.71Å; L31-I42 HydrophobicContact CD2-CG2 3.96Å; L31-A45 HydrophobicContact CD1-CB 4.48Å; L31-A45 HydrophobicContact CD2-CB 4Å; L31-A45 HydrophobicContact CG-CB 4.1Å; L31-L49 HydrophobicContact CD1-CD1 3.14Å; L31-L49 HydrophobicContact CD1-CG 3.77Å; L31-F76 HydrophobicContact CB-CD2 3.76Å; L31-F76 HydrophobicContact CB-CE2 4.3Å; L31-F76 HydrophobicContact CB-CG 4.32Å; L31-F76 HydrophobicContact CD2-CD2 3.93Å; L31-F76 HydrophobicContact CD2-CE2 3.63Å; L31-F76 HydrophobicContact CD2-CZ 4.06Å; L31-F76 HydrophobicContact CG-CD2 4.37Å |
| 32 | V | 68.4 | Low | 68.9 | Low | 45 Ų | 45 | 53 Ų | 53 | 27% | 0.273 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.7 | -36.2 | -171.8 | -174.3 | 0 | 0 | 0 | 0 | 112.4 | Q28 T72 K75 | Q28-V32 HydrophobicContact CG-CB 4.42Å; Q28-V32 HydrophobicContact CG-CG2 4.31Å; Q28-V32 WeakPolarHBondContact O-CB 3.31Å; Q28-V32 PolarHBondContact O-N 3.46Å; V32-T72 HydrophobicContact CG2-CG2 3.97Å; V32-K75 HydrophobicContact CG1-CB 4.29Å; V32-K75 HydrophobicContact CG1-CD 4.34Å; V32-K75 HydrophobicContact CG2-CB 4.19Å |
| 33 | D | 67 | Low | 68.9 | Low | 81 Ų | 81 | 53.5 Ų | 53.5 | 43% | 0.433 | 30% | 0.303 | S | S | . | . | S | Bend | trans | -68.5 | 131.8 | -177.8 | -68.4 | -19.3 | 0 | 0 | 0 | 111 | K29 G35 | K29-D33 WeakPolarHBondContact CA-OD2 2.99Å; K29-D33 WeakPolarHBondContact O-CB 3.17Å; D33-G35 PolarHBondContact O-N 3.14Å |
| 34 | P | 52.2 | Low | 68.7 | Low | 131 Ų | 131 | 54 Ų | 54 | 85% | 0.851 | 31% | 0.306 | S | S | * | . | trans | -74.6 | 84.9 | -174.2 | 29.1 | -34.3 | 0 | 0 | 0 | 111 | ||||
| 35 | G | 59.9 | Low | 68.6 | Low | 24 Ų | 24 | 54 Ų | 54 | 25% | 0.247 | 31% | 0.306 | C | S | . | . | trans | -126.1 | 150 | 168 | 0 | 0 | 0 | 0 | 0 | 111.7 | D33 L37 R82 | D33-G35 PolarHBondContact O-N 3.14Å; G35-L37 PolarHBondContact O-N 3.01Å; G35-R82 PolarHBondContact O-NH2 3.23Å | ||
| 36 | P | 57 | Low | 68.7 | Low | 138 Ų | 138 | 51.2 Ų | 51.2 | 90% | 0.896 | 29% | 0.291 | S | S | * | . | trans | -73.6 | 73.9 | 169.4 | 31.9 | -33.6 | 0 | 0 | 0 | 109.2 | ||||
| 37 | L | 60.4 | Low | 68.8 | Low | 52 Ų | 52 | 50.8 Ų | 50.8 | 27% | 0.272 | 29% | 0.289 | S | S | . | . | trans | -77 | 136.3 | 174 | -67.9 | 165.1 | 0 | 0 | 0 | 108.8 | V30 G35 S39 Q41 I42 | V30-L37 HydrophobicContact CB-CD1 4.07Å; V30-L37 HydrophobicContact CG1-CD1 3.83Å; V30-L37 HydrophobicContact CG2-CD1 4.13Å; V30-L37 VanDerWaalsContact O-CD1 3.24Å; V30-L37 WeakPolarHBondContact O-CD1 3.46Å; G35-L37 PolarHBondContact O-N 3.01Å; L37-S39 PolarHBondContact O-N 3.13Å; L37-Q41 VanDerWaalsContact CD2-OE1 3.32Å; L37-I42 HydrophobicContact CB-CD1 4.48Å; L37-I42 HydrophobicContact CB-CG1 4.14Å | ||
| 38 | P | 64.7 | Low | 68.9 | Low | 52 Ų | 52 | 50.8 Ų | 50.8 | 34% | 0.338 | 29% | 0.289 | S | S | . | . | trans | -53 | 136.9 | 172.6 | -24 | 31.6 | 0 | 0 | 0 | 110.9 | I2 I40 Q41 I42 | I2-P38 HydrophobicContact CG2-CG 4.2Å; P38-I40 HydrophobicContact CB-CG2 4.21Å; P38-I40 PolarHBondContact O-N 2.96Å; P38-Q41 WeakPolarHBondContact O-CB 3.49Å; P38-Q41 PolarHBondContact O-N 3.38Å; P38-I42 PolarHBondContact O-N 3.3Å | ||
| 39 | S | 67.7 | Low | 69.1 | Low | 74 Ų | 74 | 48.1 Ų | 48.1 | 52% | 0.517 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -44.7 | -40.6 | 179.5 | 146.8 | 0 | 0 | 0 | 0 | 112.9 | L37 Q41 I42 H43 | L37-S39 PolarHBondContact O-N 3.13Å; S39-Q41 VanDerWaalsContact C-N 3.31Å; S39-Q41 PolarHBondContact O-N 3.14Å; S39-I42 PolarHBondContact O-N 2.82Å; S39-H43 PolarHBondContact O-CD2 2.85Å; S39-H43 PolarHBondContact O-N 3.08Å; S39-H43 PolarHBondContact OG-CD2 3.49Å; S39-H43 PolarHBondContact OG-NE2 3.13Å |
| 40 | I | 65.7 | Low | 69.5 | Low | 103 Ų | 103 | 41.6 Ų | 41.6 | 53% | 0.528 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -59.9 | -36.1 | 179.1 | -159.8 | 162.8 | 0 | 0 | 0 | 113.6 | P38 H43 M44 | P38-I40 HydrophobicContact CB-CG2 4.21Å; P38-I40 PolarHBondContact O-N 2.96Å; I40-H43 PolarHBondContact O-N 3.29Å; I40-M44 HydrophobicContact CG1-SD 4.31Å; I40-M44 WeakPolarHBondContact O-CB 3.29Å; I40-M44 VanDerWaalsContact O-CG 3.26Å; I40-M44 WeakPolarHBondContact O-CG 3.47Å; I40-M44 PolarHBondContact O-N 2.91Å |
| 41 | Q | 67.4 | Low | 69.8 | Low | 33 Ų | 33 | 42.1 Ų | 42.1 | 15% | 0.154 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -71.5 | -37.7 | 178.5 | -69.4 | -177.7 | -9.9 | 0 | 0 | 111.2 | A6 L37 P38 S39 M44 A45 | A6-Q41 HydrophobicContact CB-CG 4.01Å; L37-Q41 VanDerWaalsContact CD2-OE1 3.32Å; P38-Q41 WeakPolarHBondContact O-CB 3.49Å; P38-Q41 PolarHBondContact O-N 3.38Å; S39-Q41 VanDerWaalsContact C-N 3.31Å; S39-Q41 PolarHBondContact O-N 3.14Å; Q41-M44 PolarHBondContact O-N 3.35Å; Q41-A45 WeakPolarHBondContact O-CB 3.17Å; Q41-A45 PolarHBondContact O-N 3.04Å |
| 42 | I | 73.2 | Confident | 70.3 | Confident | 15 Ų | 15 | 42.1 Ų | 42.1 | 8% | 0.077 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64.3 | -44.1 | 174.7 | -53.2 | 178.3 | 0 | 0 | 0 | 109.8 | L31 L37 P38 S39 M44 A45 F46 F76 F86 | L31-I42 HydrophobicContact CD2-CG2 3.96Å; L37-I42 HydrophobicContact CB-CD1 4.48Å; L37-I42 HydrophobicContact CB-CG1 4.14Å; P38-I42 PolarHBondContact O-N 3.3Å; S39-I42 PolarHBondContact O-N 2.82Å; I42-M44 PolarHBondContact O-N 2.84Å; I42-A45 PolarHBondContact O-N 3.08Å; I42-F46 WeakPolarHBondContact O-CB 3.28Å; I42-F46 PolarHBondContact O-N 2.91Å; I42-F76 HydrophobicContact CG2-CE2 4.19Å; I42-F76 HydrophobicContact CG2-CZ 4.31Å; I42-F86 HydrophobicContact CB-CZ 4Å; I42-F86 HydrophobicContact CG2-CE1 4.05Å; I42-F86 HydrophobicContact CG2-CE2 3.81Å; I42-F86 HydrophobicContact CG2-CZ 3.31Å |
| 43 | H | 74.2 | Confident | 71 | Confident | 47 Ų | 47 | 40 Ų | 40 | 22% | 0.218 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -59.4 | -44 | 172.9 | -73.1 | -73.3 | 0 | 0 | 0 | 113.8 | S39 I40 D47 F86 K89 | S39-H43 PolarHBondContact O-CD2 2.85Å; S39-H43 PolarHBondContact O-N 3.08Å; S39-H43 PolarHBondContact OG-CD2 3.49Å; S39-H43 PolarHBondContact OG-NE2 3.13Å; I40-H43 PolarHBondContact O-N 3.29Å; H43-D47 WeakPolarHBondContact O-CB 3.32Å; H43-D47 PolarHBondContact O-N 3.06Å; H43-F86 HydrophobicContact CB-CE1 4.13Å; H43-F86 AromaticContact CE1-CE1 3.56Å; H43-F86 AromaticContact CE1-CZ 3.94Å; H43-F86 AromaticContact CG-CE1 3.57Å; H43-F86 AromaticContact ND1-CD1 3.71Å; H43-F86 AromaticContact ND1-CE1 3.12Å; H43-F86 WeakPolarHBondContact ND1-CE1 3.49Å; H43-F86 AromaticContact ND1-CZ 3.91Å; H43-K89 WeakPolarHBondContact ND1-CE 3.35Å; H43-K89 PolarHBondContact ND1-NZ 2.71Å |
| 44 | M | 71.8 | Confident | 71.6 | Confident | 23 Ų | 23 | 37.9 Ų | 37.9 | 11% | 0.113 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -67.4 | -38.4 | 178.2 | -73.7 | 173.5 | 106.5 | 0 | 0 | 112.5 | A6 F7 H10 I40 Q41 I42 G48 | A6-M44 HydrophobicContact CB-SD 3.83Å; A6-M44 WeakPolarHBondContact O-CE 3.25Å; F7-M44 HydrophobicContact CD2-CE 4.5Å; F7-M44 HydrophobicContact CG-CE 4.38Å; H10-M44 HydrophobicContact CB-CB 4.07Å; H10-M44 HydrophobicContact CB-CE 3.37Å; H10-M44 HydrophobicContact CB-CG 4.19Å; H10-M44 HydrophobicContact CB-SD 4.35Å; I40-M44 HydrophobicContact CG1-SD 4.31Å; I40-M44 WeakPolarHBondContact O-CB 3.29Å; I40-M44 VanDerWaalsContact O-CG 3.26Å; I40-M44 WeakPolarHBondContact O-CG 3.47Å; I40-M44 PolarHBondContact O-N 2.91Å; Q41-M44 PolarHBondContact O-N 3.35Å; I42-M44 PolarHBondContact O-N 2.84Å; M44-G48 PolarHBondContact O-N 2.76Å |
| 45 | A | 74.1 | Confident | 72.8 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -66 | -45.4 | 176 | 0 | 0 | 0 | 0 | 0 | 111.8 | F9 L13 V30 L31 Q41 I42 G48 L49 | F9-A45 HydrophobicContact CE1-CB 3.83Å; L13-A45 HydrophobicContact CD1-CB 4.48Å; V30-A45 HydrophobicContact CB-CB 4.12Å; V30-A45 HydrophobicContact CG1-CB 3.41Å; V30-A45 VanDerWaalsContact CG1-CB 3.41Å; L31-A45 HydrophobicContact CD1-CB 4.48Å; L31-A45 HydrophobicContact CD2-CB 4Å; L31-A45 HydrophobicContact CG-CB 4.1Å; Q41-A45 WeakPolarHBondContact O-CB 3.17Å; Q41-A45 PolarHBondContact O-N 3.04Å; I42-A45 PolarHBondContact O-N 3.08Å; A45-G48 CarbonylContact O-C 3.32Å; A45-G48 WeakPolarHBondContact O-CA 3.41Å; A45-G48 PolarHBondContact O-N 2.92Å; A45-G48 VanDerWaalsContact O-N 3.17Å; A45-L49 PolarHBondContact O-N 2.71Å |
| 46 | F | 79.1 | Confident | 73.5 | Confident | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62.6 | -44.4 | 175.8 | -177.5 | -94.9 | 0 | 0 | 0 | 112.1 | I42 G48 L49 C50 L73 F76 F77 F86 K89 F92 | I42-F46 WeakPolarHBondContact O-CB 3.28Å; I42-F46 PolarHBondContact O-N 2.91Å; F46-G48 PolarHBondContact O-N 3.32Å; F46-L49 PolarHBondContact O-N 2.98Å; F46-C50 WeakPolarHBondContact CE1-SG 3.16Å; F46-C50 PolarHBondContact O-N 3.1Å; F46-C50 PolarHBondContact O-SG 3.48Å; F46-L73 HydrophobicContact CE2-CD2 4.48Å; F46-F76 HydrophobicContact CD2-CD1 4.47Å; F46-F76 AromaticContact CD2-CE1 3.86Å; F46-F76 HydrophobicContact CD2-CE1 3.86Å; F46-F76 HydrophobicContact CD2-CZ 4.48Å; F46-F76 HydrophobicContact CE2-CE1 4.16Å; F46-F77 HydrophobicContact CE2-CE1 4.23Å; F46-F77 AromaticContact CE2-CZ 3.81Å; F46-F77 HydrophobicContact CE2-CZ 3.81Å; F46-F77 HydrophobicContact CZ-CZ 4.34Å; F46-F86 HydrophobicContact CB-CD1 3.67Å; F46-F86 HydrophobicContact CB-CE1 4.06Å; F46-F86 HydrophobicContact CB-CG 4.39Å; F46-F86 HydrophobicContact CD1-CB 3.87Å; F46-F86 AromaticContact CD1-CD1 3.65Å; F46-F86 HydrophobicContact CD1-CD1 3.65Å; F46-F86 HydrophobicContact CD1-CG 4.13Å; F46-F86 HydrophobicContact CD2-CB 3.91Å; F46-F86 HydrophobicContact CD2-CD1 4.17Å; F46-F86 HydrophobicContact CD2-CG 4.1Å; F46-F86 HydrophobicContact CE1-CB 3.67Å; F46-F86 HydrophobicContact CE1-CD1 4.31Å; F46-F86 HydrophobicContact CE1-CG 4.43Å; F46-F86 WeakPolarHBondContact CE1-O 3.28Å; F46-F86 HydrophobicContact CE2-CB 3.75Å; F46-F86 HydrophobicContact CE2-CG 4.43Å; F46-F86 HydrophobicContact CG-CB 3.96Å; F46-F86 AromaticContact CG-CD1 3.54Å; F46-F86 HydrophobicContact CG-CD1 3.54Å; F46-F86 HydrophobicContact CG-CE1 4.41Å; F46-F86 AromaticContact CG-CG 3.93Å; F46-F86 HydrophobicContact CG-CG 3.93Å; F46-F86 HydrophobicContact CZ-CB 3.61Å; F46-K89 HydrophobicContact CD1-CD 3.98Å; F46-K89 HydrophobicContact CE1-CB 4.48Å; F46-K89 HydrophobicContact CE1-CD 4.05Å; F46-F92 HydrophobicContact CE1-CB 3.85Å; F46-F92 HydrophobicContact CE1-CD2 4.29Å; F46-F92 HydrophobicContact CE1-CG 4.19Å; F46-F92 HydrophobicContact CE2-CD2 4.19Å; F46-F92 HydrophobicContact CE2-CE2 4.43Å; F46-F92 HydrophobicContact CZ-CB 3.78Å; F46-F92 HydrophobicContact CZ-CD1 4.26Å; F46-F92 AromaticContact CZ-CD2 3.49Å; F46-F92 HydrophobicContact CZ-CD2 3.49Å; F46-F92 VanDerWaalsContact CZ-CD2 3.49Å; F46-F92 HydrophobicContact CZ-CE2 4.11Å; F46-F92 AromaticContact CZ-CG 3.58Å; F46-F92 HydrophobicContact CZ-CG 3.58Å |
| 47 | D | 77.2 | Confident | 74 | Confident | 38 Ų | 38 | 30 Ų | 30 | 20% | 0.203 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -64.7 | -32 | 175.3 | -69.1 | -19.5 | 0 | 0 | 0 | 111.5 | H43 T51 K89 L91 | H43-D47 WeakPolarHBondContact O-CB 3.32Å; H43-D47 PolarHBondContact O-N 3.06Å; D47-T51 WeakPolarHBondContact O-CB 3.43Å; D47-T51 PolarHBondContact O-N 2.75Å; D47-T51 PolarHBondContact O-OG1 2.9Å; D47-K89 WeakPolarHBondContact OD1-CD 3.21Å; D47-K89 IonicContact OD1-NZ 2.91Å; D47-K89 PolarHBondContact OD1-NZ 3.1Å; D47-K89 IonicContact OD2-NZ 3.22Å; D47-K89 PolarHBondContact OD2-NZ 3.29Å; D47-L91 HydrophobicContact CB-CD2 3.88Å |
| 48 | G | 75.8 | Confident | 74.4 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -62.4 | -48.7 | 169.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | M44 A45 F46 C50 T51 L52 | M44-G48 PolarHBondContact O-N 2.76Å; A45-G48 CarbonylContact O-C 3.32Å; A45-G48 WeakPolarHBondContact O-CA 3.41Å; A45-G48 PolarHBondContact O-N 2.92Å; A45-G48 VanDerWaalsContact O-N 3.17Å; F46-G48 PolarHBondContact O-N 3.32Å; G48-C50 PolarHBondContact O-N 2.81Å; G48-T51 WeakPolarHBondContact O-CB 3.36Å; G48-T51 PolarHBondContact O-N 3.32Å; G48-T51 VanDerWaalsContact O-N 3.12Å; G48-L52 WeakPolarHBondContact O-CG 3.42Å; G48-L52 PolarHBondContact O-N 3.5Å |
| 49 | L | 80.8 | Confident | 74.3 | Confident | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -59.2 | -44.9 | 173.8 | -80.6 | -169.4 | 0 | 0 | 0 | 112.1 | L24 A27 L31 A45 F46 T51 L52 M53 M69 L73 | L24-L49 HydrophobicContact CD1-CD2 4.16Å; A27-L49 HydrophobicContact CB-CD2 3.47Å; A27-L49 VanDerWaalsContact CB-CD2 3.47Å; A27-L49 HydrophobicContact CB-CG 3.83Å; L31-L49 HydrophobicContact CD1-CD1 3.14Å; L31-L49 HydrophobicContact CD1-CG 3.77Å; A45-L49 PolarHBondContact O-N 2.71Å; F46-L49 PolarHBondContact O-N 2.98Å; L49-T51 PolarHBondContact O-N 3.42Å; L49-L52 HydrophobicContact CD2-CD1 4.12Å; L49-L52 WeakPolarHBondContact O-CB 3.25Å; L49-L52 PolarHBondContact O-N 2.85Å; L49-L52 VanDerWaalsContact O-N 3.13Å; L49-M53 WeakPolarHBondContact O-CG 3.17Å; L49-M53 PolarHBondContact O-N 3.21Å; L49-M69 HydrophobicContact CD2-CG 4.49Å; L49-L73 HydrophobicContact CD1-CD2 3.73Å; L49-L73 HydrophobicContact CD1-CG 4.28Å |
| 50 | C | 81.9 | Confident | 74.2 | Confident | 1 Ų | 1 | 36.1 Ų | 36.1 | 1% | 0.007 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -60.8 | -37.9 | 175.8 | -65 | 0 | 0 | 0 | 0 | 111.4 | F46 G48 M53 L54 L91 S95 | F46-C50 WeakPolarHBondContact CE1-SG 3.16Å; F46-C50 PolarHBondContact O-N 3.1Å; F46-C50 PolarHBondContact O-SG 3.48Å; G48-C50 PolarHBondContact O-N 2.81Å; C50-M53 WeakPolarHBondContact O-CB 3.46Å; C50-M53 PolarHBondContact O-N 2.65Å; C50-L54 WeakPolarHBondContact O-CG 2.99Å; C50-L54 PolarHBondContact O-N 3.49Å; C50-L91 HydrophobicContact CB-CD2 3.66Å; C50-L91 HydrophobicContact CB-CG 3.64Å; C50-S95 WeakPolarHBondContact CA-OG 3.38Å; C50-S95 WeakPolarHBondContact CB-OG 3.09Å; C50-S95 PolarHBondContact O-OG 3.39Å |
| 51 | T | 77.8 | Confident | 74.5 | Confident | 25 Ų | 25 | 32.1 Ų | 32.1 | 15% | 0.153 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -65.8 | -41.1 | 174.9 | -52.3 | 0 | 0 | 0 | 0 | 111.3 | K14 D47 G48 L49 L54 D55 | K14-T51 HydrophobicContact CG-CG2 4.32Å; D47-T51 WeakPolarHBondContact O-CB 3.43Å; D47-T51 PolarHBondContact O-N 2.75Å; D47-T51 PolarHBondContact O-OG1 2.9Å; G48-T51 WeakPolarHBondContact O-CB 3.36Å; G48-T51 PolarHBondContact O-N 3.32Å; G48-T51 VanDerWaalsContact O-N 3.12Å; L49-T51 PolarHBondContact O-N 3.42Å; T51-L54 WeakPolarHBondContact O-CB 3.43Å; T51-L54 PolarHBondContact O-N 2.84Å; T51-D55 PolarHBondContact O-N 3.27Å; T51-D55 VanDerWaalsContact O-N 3.07Å |
| 52 | L | 80.2 | Confident | 75 | Confident | 2 Ų | 2 | 34.2 Ų | 34.2 | 1% | 0.01 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -58.6 | -48.6 | 173.5 | -71.1 | 171.2 | 0 | 0 | 0 | 110.9 | W20 R23 G48 L49 L54 D55 I56 | W20-L52 HydrophobicContact CD2-CD2 4.39Å; W20-L52 HydrophobicContact CE3-CD2 3.72Å; W20-L52 HydrophobicContact CH2-CB 3.7Å; W20-L52 HydrophobicContact CH2-CD2 4.33Å; W20-L52 WeakPolarHBondContact CH2-O 3.25Å; W20-L52 HydrophobicContact CZ2-CB 4.3Å; W20-L52 HydrophobicContact CZ3-CB 3.86Å; W20-L52 HydrophobicContact CZ3-CD2 3.69Å; W20-L52 HydrophobicContact CZ3-CG 4.38Å; W20-L52 WeakPolarHBondContact CZ3-O 3.22Å; R23-L52 HydrophobicContact CB-CD1 4.1Å; R23-L52 HydrophobicContact CB-CD2 4.15Å; G48-L52 WeakPolarHBondContact O-CG 3.42Å; G48-L52 PolarHBondContact O-N 3.5Å; L49-L52 HydrophobicContact CD2-CD1 4.12Å; L49-L52 WeakPolarHBondContact O-CB 3.25Å; L49-L52 PolarHBondContact O-N 2.85Å; L49-L52 VanDerWaalsContact O-N 3.13Å; L52-L54 VanDerWaalsContact C-N 3.26Å; L52-L54 PolarHBondContact O-N 3.49Å; L52-D55 CarbonylContact O-C 3.57Å; L52-D55 PolarHBondContact O-N 3.15Å; L52-I56 PolarHBondContact O-N 3.38Å; L52-I56 VanDerWaalsContact O-N 3.13Å |
| 53 | M | 83.6 | Confident | 75.3 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -54.7 | -39.8 | 175.3 | -70.7 | 174 | 74.3 | 0 | 0 | 113 | L49 C50 D55 I56 M69 W70 L73 F92 C99 | L49-M53 WeakPolarHBondContact O-CG 3.17Å; L49-M53 PolarHBondContact O-N 3.21Å; C50-M53 WeakPolarHBondContact O-CB 3.46Å; C50-M53 PolarHBondContact O-N 2.65Å; M53-D55 VanDerWaalsContact C-N 3.32Å; M53-I56 WeakPolarHBondContact O-CD1 3.38Å; M53-I56 WeakPolarHBondContact O-CG1 3.26Å; M53-M69 HydrophobicContact CB-SD 4.45Å; M53-M69 HydrophobicContact CG-CE 3.62Å; M53-M69 HydrophobicContact CG-SD 3.46Å; M53-M69 WeakPolarHBondContact CG-SD 3.36Å; M53-W70 HydrophobicContact CE-CH2 3.31Å; M53-W70 HydrophobicContact CE-CZ2 3.63Å; M53-W70 HydrophobicContact CE-CZ3 4.1Å; M53-L73 HydrophobicContact CE-CD1 4.4Å; M53-L73 HydrophobicContact SD-CD1 3.84Å; M53-F92 HydrophobicContact SD-CE2 4.44Å; M53-C99 VanDerWaalsContact CE-SG 3.55Å |
| 54 | L | 78.5 | Confident | 75.7 | Confident | 37 Ų | 37 | 39.5 Ų | 39.5 | 19% | 0.194 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -69.8 | -27.2 | 175.9 | -70.5 | 169.1 | 0 | 0 | 0 | 113.4 | C50 T51 L52 L91 K94 | C50-L54 WeakPolarHBondContact O-CG 2.99Å; C50-L54 PolarHBondContact O-N 3.49Å; T51-L54 WeakPolarHBondContact O-CB 3.43Å; T51-L54 PolarHBondContact O-N 2.84Å; L52-L54 VanDerWaalsContact C-N 3.26Å; L52-L54 PolarHBondContact O-N 3.49Å; L54-L91 HydrophobicContact CD1-CD1 3.72Å; L54-K94 HydrophobicContact CD2-CD 4.25Å; L54-K94 HydrophobicContact CD2-CG 3.98Å |
| 55 | D | 77 | Confident | 76.1 | Confident | 32 Ų | 32 | 39.8 Ų | 39.8 | 17% | 0.171 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100 | 10.3 | -176.8 | -76.7 | -30.3 | 0 | 0 | 0 | 113.6 | T51 L52 M53 S57 K58 C59 | T51-D55 PolarHBondContact O-N 3.27Å; T51-D55 VanDerWaalsContact O-N 3.07Å; L52-D55 CarbonylContact O-C 3.57Å; L52-D55 PolarHBondContact O-N 3.15Å; M53-D55 VanDerWaalsContact C-N 3.32Å; D55-S57 PolarHBondContact O-N 2.89Å; D55-S57 VanDerWaalsContact O-N 3.16Å; D55-K58 WeakPolarHBondContact O-CA 3.43Å; D55-K58 PolarHBondContact O-N 2.82Å; D55-K58 IonicContact OD1-NZ 3.71Å; D55-K58 PolarHBondContact OD1-NZ 3.24Å; D55-C59 PolarHBondContact O-N 3.27Å; D55-C59 PolarHBondContact O-SG 3.14Å; D55-C59 VanDerWaalsContact O-SG 3.38Å |
| 56 | I | 75 | Confident | 76.6 | Confident | 9 Ų | 9 | 39.9 Ų | 39.9 | 5% | 0.046 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -48.8 | -44.8 | 177.7 | -72.3 | 171.5 | 0 | 0 | 0 | 111.4 | W20 L52 M53 K58 I66 M69 C99 F102 | W20-I56 HydrophobicContact CH2-CG1 3.76Å; W20-I56 HydrophobicContact CZ2-CG1 4.38Å; L52-I56 PolarHBondContact O-N 3.38Å; L52-I56 VanDerWaalsContact O-N 3.13Å; M53-I56 WeakPolarHBondContact O-CD1 3.38Å; M53-I56 WeakPolarHBondContact O-CG1 3.26Å; I56-K58 VanDerWaalsContact C-N 3.28Å; I56-K58 PolarHBondContact O-N 3.47Å; I56-I66 HydrophobicContact CD1-CG2 4.21Å; I56-I66 HydrophobicContact CG2-CD1 3.59Å; I56-I66 HydrophobicContact CG2-CG1 4.26Å; I56-M69 HydrophobicContact CD1-CE 4.13Å; I56-C99 VanDerWaalsContact CD1-SG 3.52Å; I56-F102 HydrophobicContact CG2-CD1 3.78Å; I56-F102 HydrophobicContact CG2-CD2 4.29Å; I56-F102 HydrophobicContact CG2-CE1 3.59Å; I56-F102 HydrophobicContact CG2-CE2 4.12Å; I56-F102 HydrophobicContact CG2-CG 4.13Å; I56-F102 HydrophobicContact CG2-CZ 3.77Å |
| 57 | S | 67.5 | Low | 76.8 | Confident | 88 Ų | 88 | 40.3 Ų | 40.3 | 62% | 0.615 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | -22.9 | 179.9 | 59.9 | 0 | 0 | 0 | 0 | 114.1 | D55 | D55-S57 PolarHBondContact O-N 2.89Å; D55-S57 VanDerWaalsContact O-N 3.16Å |
| 58 | K | 68.9 | Low | 77.1 | Confident | 140 Ų | 140 | 41.6 Ų | 41.6 | 61% | 0.609 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.9 | -26.3 | -178.8 | -62 | -175.3 | -160.9 | 141.3 | 0 | 113.4 | D55 I56 | D55-K58 WeakPolarHBondContact O-CA 3.43Å; D55-K58 PolarHBondContact O-N 2.82Å; D55-K58 IonicContact OD1-NZ 3.71Å; D55-K58 PolarHBondContact OD1-NZ 3.24Å; I56-K58 VanDerWaalsContact C-N 3.28Å; I56-K58 PolarHBondContact O-N 3.47Å |
| 59 | C | 62.6 | Low | 77.6 | Confident | 30 Ų | 30 | 41.6 Ų | 41.6 | 20% | 0.203 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.5 | 1.8 | -167.4 | -69 | 0 | 0 | 0 | 0 | 115.2 | W20 D55 A61 | W20-C59 HydrophobicContact CD2-CB 4.47Å; W20-C59 HydrophobicContact CE3-CB 3.42Å; W20-C59 VanDerWaalsContact CE3-CB 3.42Å; W20-C59 HydrophobicContact CZ3-CB 3.72Å; D55-C59 PolarHBondContact O-N 3.27Å; D55-C59 PolarHBondContact O-SG 3.14Å; D55-C59 VanDerWaalsContact O-SG 3.38Å; C59-A61 PolarHBondContact O-N 3.29Å |
| 60 | V | 66.6 | Low | 77.9 | Confident | 136 Ų | 136 | 41.7 Ų | 41.7 | 82% | 0.824 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.6 | 40.1 | -177 | -160.4 | 0 | 0 | 0 | 0 | 111.4 | ||
| 61 | A | 71.2 | Confident | 78 | Confident | 19 Ų | 19 | 45.8 Ų | 45.8 | 16% | 0.157 | 25% | 0.254 | C | S | . | . | trans | -69 | 139 | 175.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | W20 C59 D65 I66 | W20-A61 HydrophobicContact CD2-CB 3.89Å; W20-A61 HydrophobicContact CE3-CB 4.31Å; W20-A61 HydrophobicContact CG-CB 4.17Å; W20-A61 HydrophobicContact CZ2-CB 4.17Å; C59-A61 PolarHBondContact O-N 3.29Å; A61-D65 HydrophobicContact CB-CB 4.17Å; A61-I66 HydrophobicContact CB-CD1 4.36Å; A61-I66 HydrophobicContact CB-CG1 3.95Å | ||
| 62 | T | 78.3 | Confident | 78.1 | Confident | 76 Ų | 76 | 44.8 Ų | 44.8 | 47% | 0.466 | 25% | 0.248 | S | C | . | . | trans | -74.4 | 163 | 171.9 | 65.3 | 0 | 0 | 0 | 0 | 110.7 | D64 D65 I66 | T62-D64 PolarHBondContact O-N 3.37Å; T62-D65 WeakPolarHBondContact CB-OD2 3.08Å; T62-D65 PolarHBondContact N-OD2 3.37Å; T62-D65 WeakPolarHBondContact O-CB 3.29Å; T62-D65 PolarHBondContact O-N 2.99Å; T62-D65 PolarHBondContact OG1-N 3.28Å; T62-D65 PolarHBondContact OG1-OD2 3.18Å; T62-I66 WeakPolarHBondContact O-CG1 3.47Å; T62-I66 PolarHBondContact O-N 2.99Å; T62-I66 VanDerWaalsContact O-N 3.17Å | ||
| 63 | D | 79.1 | Confident | 78.1 | Confident | 67 Ų | 67 | 44.8 Ų | 44.8 | 36% | 0.358 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -59 | -34.6 | 177.3 | -71.6 | -6 | 0 | 0 | 0 | 111.7 | I66 A67 T113 Y114 | D63-I66 PolarHBondContact O-N 3.44Å; D63-A67 WeakPolarHBondContact O-CB 3.39Å; D63-A67 PolarHBondContact O-N 3.02Å; D63-T113 VanDerWaalsContact CB-OG1 3.25Å; D63-T113 WeakPolarHBondContact CB-OG1 3.35Å; D63-Y114 HydrophobicContact CB-CD1 3.85Å; D63-Y114 HydrophobicContact CB-CE1 4.31Å; D63-Y114 WeakPolarHBondContact OD1-CE1 3.23Å |
| 64 | D | 81.7 | Confident | 77.9 | Confident | 106 Ų | 106 | 45.6 Ų | 45.6 | 57% | 0.567 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -71.3 | -36.7 | 178.5 | -64.2 | -25.5 | 0 | 0 | 0 | 112.3 | T62 I66 A67 Q68 T113 | T62-D64 PolarHBondContact O-N 3.37Å; D64-I66 VanDerWaalsContact C-N 3.27Å; D64-I66 PolarHBondContact O-N 2.85Å; D64-A67 PolarHBondContact O-N 2.86Å; D64-Q68 WeakPolarHBondContact O-CB 3.29Å; D64-Q68 PolarHBondContact O-N 3.21Å; D64-T113 PolarHBondContact OD1-OG1 2.62Å |
| 65 | D | 81.2 | Confident | 78 | Confident | 30 Ų | 30 | 50.1 Ų | 50.1 | 16% | 0.16 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -60.4 | -39.7 | 173 | -70.8 | -49.6 | 0 | 0 | 0 | 111.7 | A61 T62 M69 | A61-D65 HydrophobicContact CB-CB 4.17Å; T62-D65 WeakPolarHBondContact CB-OD2 3.08Å; T62-D65 PolarHBondContact N-OD2 3.37Å; T62-D65 WeakPolarHBondContact O-CB 3.29Å; T62-D65 PolarHBondContact O-N 2.99Å; T62-D65 PolarHBondContact OG1-N 3.28Å; T62-D65 PolarHBondContact OG1-OD2 3.18Å; D65-M69 PolarHBondContact O-N 3.38Å |
| 66 | I | 83.3 | Confident | 77.9 | Confident | 1 Ų | 1 | 48.7 Ų | 48.7 | 1% | 0.005 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -72.3 | -40 | 177.8 | -58.6 | 166.4 | 0 | 0 | 0 | 109.7 | I56 A61 T62 D63 D64 Q68 M69 W70 F102 Y114 | I56-I66 HydrophobicContact CD1-CG2 4.21Å; I56-I66 HydrophobicContact CG2-CD1 3.59Å; I56-I66 HydrophobicContact CG2-CG1 4.26Å; A61-I66 HydrophobicContact CB-CD1 4.36Å; A61-I66 HydrophobicContact CB-CG1 3.95Å; T62-I66 WeakPolarHBondContact O-CG1 3.47Å; T62-I66 PolarHBondContact O-N 2.99Å; T62-I66 VanDerWaalsContact O-N 3.17Å; D63-I66 PolarHBondContact O-N 3.44Å; D64-I66 VanDerWaalsContact C-N 3.27Å; D64-I66 PolarHBondContact O-N 2.85Å; I66-Q68 PolarHBondContact O-N 2.87Å; I66-M69 HydrophobicContact CG2-CE 4.13Å; I66-M69 WeakPolarHBondContact O-CB 3.44Å; I66-M69 PolarHBondContact O-N 3.44Å; I66-W70 PolarHBondContact O-N 2.85Å; I66-W70 VanDerWaalsContact O-N 3.08Å; I66-F102 HydrophobicContact CD1-CE1 3.96Å; I66-Y114 HydrophobicContact CB-CD1 3.97Å; I66-Y114 HydrophobicContact CB-CG 3.98Å; I66-Y114 HydrophobicContact CD1-CD1 4.01Å; I66-Y114 HydrophobicContact CD1-CE1 4.02Å; I66-Y114 HydrophobicContact CG2-CD1 4.02Å; I66-Y114 HydrophobicContact CG2-CD2 3.99Å; I66-Y114 HydrophobicContact CG2-CG 3.62Å |
| 67 | A | 84.2 | Confident | 77.8 | Confident | 10 Ų | 10 | 49 Ų | 49 | 8% | 0.083 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -60.9 | -44.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | D63 D64 M69 W70 H71 P117 | D63-A67 WeakPolarHBondContact O-CB 3.39Å; D63-A67 PolarHBondContact O-N 3.02Å; D64-A67 PolarHBondContact O-N 2.86Å; A67-M69 VanDerWaalsContact C-N 3.3Å; A67-M69 PolarHBondContact O-N 2.81Å; A67-W70 PolarHBondContact O-N 3.45Å; A67-W70 VanDerWaalsContact O-N 3.15Å; A67-H71 PolarHBondContact O-CD2 3.22Å; A67-H71 PolarHBondContact O-N 3.38Å; A67-P117 HydrophobicContact CB-CG 4.44Å |
| 68 | Q | 84.4 | Confident | 77.9 | Confident | 65 Ų | 65 | 48.4 Ų | 48.4 | 30% | 0.304 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -62.6 | -36.9 | 176.9 | -172.5 | -177.7 | -3.3 | 0 | 0 | 112.1 | L24 D64 I66 H71 T72 | L24-Q68 HydrophobicContact CD2-CB 3.81Å; L24-Q68 HydrophobicContact CD2-CG 3.74Å; D64-Q68 WeakPolarHBondContact O-CB 3.29Å; D64-Q68 PolarHBondContact O-N 3.21Å; I66-Q68 PolarHBondContact O-N 2.87Å; Q68-H71 PolarHBondContact O-N 2.9Å; Q68-T72 WeakPolarHBondContact O-CB 3.26Å; Q68-T72 PolarHBondContact O-N 3.44Å; Q68-T72 PolarHBondContact O-OG1 3.23Å |
| 69 | M | 85.5 | Confident | 77.8 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -60.5 | -46.2 | 172.6 | -179.1 | -163.4 | 68.8 | 0 | 0 | 111.6 | W20 L24 L49 M53 I56 D65 I66 A67 T72 L73 | W20-M69 HydrophobicContact CH2-SD 4.43Å; W20-M69 HydrophobicContact CZ2-SD 4.01Å; L24-M69 HydrophobicContact CD1-CB 3.89Å; L24-M69 HydrophobicContact CD1-CG 4.19Å; L24-M69 HydrophobicContact CD2-CB 4.35Å; L49-M69 HydrophobicContact CD2-CG 4.49Å; M53-M69 HydrophobicContact CB-SD 4.45Å; M53-M69 HydrophobicContact CG-CE 3.62Å; M53-M69 HydrophobicContact CG-SD 3.46Å; M53-M69 WeakPolarHBondContact CG-SD 3.36Å; I56-M69 HydrophobicContact CD1-CE 4.13Å; D65-M69 PolarHBondContact O-N 3.38Å; I66-M69 HydrophobicContact CG2-CE 4.13Å; I66-M69 WeakPolarHBondContact O-CB 3.44Å; I66-M69 PolarHBondContact O-N 3.44Å; A67-M69 VanDerWaalsContact C-N 3.3Å; A67-M69 PolarHBondContact O-N 2.81Å; M69-T72 WeakPolarHBondContact O-CB 3.49Å; M69-T72 PolarHBondContact O-N 2.82Å; M69-L73 PolarHBondContact O-N 2.8Å |
| 70 | W | 87.7 | Confident | 77.4 | Confident | 1 Ų | 1 | 48 Ų | 48 | 0% | 0.004 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -64.7 | -42.1 | 176.5 | -74.5 | 112.5 | 0 | 0 | 0 | 112.8 | M53 I66 A67 T72 L73 C74 L96 C99 P117 M118 C121 | M53-W70 HydrophobicContact CE-CH2 3.31Å; M53-W70 HydrophobicContact CE-CZ2 3.63Å; M53-W70 HydrophobicContact CE-CZ3 4.1Å; I66-W70 PolarHBondContact O-N 2.85Å; I66-W70 VanDerWaalsContact O-N 3.08Å; A67-W70 PolarHBondContact O-N 3.45Å; A67-W70 VanDerWaalsContact O-N 3.15Å; W70-T72 PolarHBondContact O-N 3.41Å; W70-L73 HydrophobicContact CD2-CD1 4.48Å; W70-L73 HydrophobicContact CE3-CD1 3.81Å; W70-L73 HydrophobicContact CZ3-CD1 3.88Å; W70-L73 CarbonylContact O-C 3.6Å; W70-L73 WeakPolarHBondContact O-CA 3.48Å; W70-L73 WeakPolarHBondContact O-CB 3.29Å; W70-L73 PolarHBondContact O-N 3.41Å; W70-C74 PolarHBondContact O-N 3.21Å; W70-C74 PolarHBondContact O-SG 3.48Å; W70-C74 VanDerWaalsContact O-SG 3.37Å; W70-L96 HydrophobicContact CH2-CD1 3.65Å; W70-L96 HydrophobicContact CZ3-CD1 4.25Å; W70-C99 HydrophobicContact CH2-CB 4.45Å; W70-C99 HydrophobicContact CZ2-CB 3.68Å; W70-P117 HydrophobicContact CB-CB 3.82Å; W70-M118 HydrophobicContact CD2-CB 3.81Å; W70-M118 HydrophobicContact CD2-CG 3.98Å; W70-M118 VanDerWaalsContact CE2-CG 3.47Å; W70-M118 HydrophobicContact CE3-CB 4.44Å; W70-M118 HydrophobicContact CE3-CG 4.38Å; W70-M118 HydrophobicContact CG-CB 3.96Å; W70-M118 HydrophobicContact CH2-CG 3.9Å; W70-M118 HydrophobicContact CZ2-CB 4.17Å; W70-M118 HydrophobicContact CZ2-CG 3.45Å; W70-M118 VanDerWaalsContact CZ2-CG 3.45Å; W70-M118 HydrophobicContact CZ2-SD 3.91Å; W70-M118 HydrophobicContact CZ3-CG 4.34Å; W70-C121 HydrophobicContact CE3-CB 3.72Å; W70-C121 HydrophobicContact CZ3-CB 4.13Å |
| 71 | H | 83.8 | Confident | 76.7 | Confident | 88 Ų | 88 | 47.6 Ų | 47.6 | 41% | 0.407 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -60.5 | -35.7 | 173.3 | -71.4 | -51 | 0 | 0 | 0 | 112.9 | A67 Q68 L73 K75 | A67-H71 PolarHBondContact O-CD2 3.22Å; A67-H71 PolarHBondContact O-N 3.38Å; Q68-H71 PolarHBondContact O-N 2.9Å; H71-L73 VanDerWaalsContact C-N 3.34Å; H71-K75 WeakPolarHBondContact O-CG 3.42Å; H71-K75 PolarHBondContact O-N 3.27Å |
| 72 | T | 80.2 | Confident | 76.2 | Confident | 4 Ų | 4 | 49.8 Ų | 49.8 | 3% | 0.025 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -65.2 | -40.4 | 174.5 | -57.2 | 0 | 0 | 0 | 0 | 110.8 | Q28 V32 Q68 M69 W70 F76 | Q28-T72 HydrophobicContact CB-CG2 4.07Å; Q28-T72 HydrophobicContact CG-CG2 4.25Å; V32-T72 HydrophobicContact CG2-CG2 3.97Å; Q68-T72 WeakPolarHBondContact O-CB 3.26Å; Q68-T72 PolarHBondContact O-N 3.44Å; Q68-T72 PolarHBondContact O-OG1 3.23Å; M69-T72 WeakPolarHBondContact O-CB 3.49Å; M69-T72 PolarHBondContact O-N 2.82Å; W70-T72 PolarHBondContact O-N 3.41Å; T72-F76 WeakPolarHBondContact O-CB 3.39Å; T72-F76 PolarHBondContact O-N 3.02Å |
| 73 | L | 80.5 | Confident | 75.3 | Confident | 1 Ų | 1 | 46.4 Ų | 46.4 | 1% | 0.005 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -66.3 | -46.2 | 174.6 | -73.7 | 171.8 | 0 | 0 | 0 | 112.3 | F46 L49 M53 M69 W70 H71 K75 F76 F77 | F46-L73 HydrophobicContact CE2-CD2 4.48Å; L49-L73 HydrophobicContact CD1-CD2 3.73Å; L49-L73 HydrophobicContact CD1-CG 4.28Å; M53-L73 HydrophobicContact CE-CD1 4.4Å; M53-L73 HydrophobicContact SD-CD1 3.84Å; M69-L73 PolarHBondContact O-N 2.8Å; W70-L73 HydrophobicContact CD2-CD1 4.48Å; W70-L73 HydrophobicContact CE3-CD1 3.81Å; W70-L73 HydrophobicContact CZ3-CD1 3.88Å; W70-L73 CarbonylContact O-C 3.6Å; W70-L73 WeakPolarHBondContact O-CA 3.48Å; W70-L73 WeakPolarHBondContact O-CB 3.29Å; W70-L73 PolarHBondContact O-N 3.41Å; H71-L73 VanDerWaalsContact C-N 3.34Å; L73-K75 VanDerWaalsContact C-N 3.32Å; L73-K75 PolarHBondContact O-N 3.15Å; L73-F76 WeakPolarHBondContact O-CB 3.42Å; L73-F76 PolarHBondContact O-N 3.26Å; L73-F76 VanDerWaalsContact O-N 3.12Å; L73-F77 HydrophobicContact CB-CD2 4.17Å; L73-F77 HydrophobicContact CB-CE2 4.01Å; L73-F77 HydrophobicContact CD2-CE2 3.86Å; L73-F77 HydrophobicContact CD2-CZ 4.32Å; L73-F77 HydrophobicContact CG-CE2 4.45Å; L73-F77 WeakPolarHBondContact O-CD2 3.18Å; L73-F77 WeakPolarHBondContact O-CG 3.44Å; L73-F77 PolarHBondContact O-N 2.7Å |
| 74 | C | 79 | Confident | 74.5 | Confident | 18 Ų | 18 | 48.5 Ų | 48.5 | 12% | 0.122 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -55.3 | -48.7 | 175.4 | -62.5 | 0 | 0 | 0 | 0 | 111 | W70 F76 F77 A78 C121 | W70-C74 PolarHBondContact O-N 3.21Å; W70-C74 PolarHBondContact O-SG 3.48Å; W70-C74 VanDerWaalsContact O-SG 3.37Å; C74-F76 VanDerWaalsContact C-N 3.31Å; C74-F76 PolarHBondContact O-N 3.08Å; C74-F77 PolarHBondContact O-N 2.83Å; C74-A78 PolarHBondContact O-N 3.01Å; C74-C121 WeakPolarHBondContact SG-CB 3.32Å |
| 75 | K | 79.3 | Confident | 73.8 | Confident | 131 Ų | 131 | 49 Ų | 49 | 57% | 0.57 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -60.9 | -39.9 | 177.3 | -75.5 | -179.3 | -178.8 | 178.5 | 0 | 112.6 | V32 H71 L73 | V32-K75 HydrophobicContact CG1-CB 4.29Å; V32-K75 HydrophobicContact CG1-CD 4.34Å; V32-K75 HydrophobicContact CG2-CB 4.19Å; H71-K75 WeakPolarHBondContact O-CG 3.42Å; H71-K75 PolarHBondContact O-N 3.27Å; L73-K75 VanDerWaalsContact C-N 3.32Å; L73-K75 PolarHBondContact O-N 3.15Å |
| 76 | F | 76 | Confident | 73.3 | Confident | 3 Ų | 3 | 48 Ų | 48 | 1% | 0.013 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -65.2 | -42.1 | 176.8 | 174.8 | -109 | 0 | 0 | 0 | 112 | L31 I42 F46 T72 L73 C74 D79 R82 F86 | L31-F76 HydrophobicContact CB-CD2 3.76Å; L31-F76 HydrophobicContact CB-CE2 4.3Å; L31-F76 HydrophobicContact CB-CG 4.32Å; L31-F76 HydrophobicContact CD2-CD2 3.93Å; L31-F76 HydrophobicContact CD2-CE2 3.63Å; L31-F76 HydrophobicContact CD2-CZ 4.06Å; L31-F76 HydrophobicContact CG-CD2 4.37Å; I42-F76 HydrophobicContact CG2-CE2 4.19Å; I42-F76 HydrophobicContact CG2-CZ 4.31Å; F46-F76 HydrophobicContact CD2-CD1 4.47Å; F46-F76 AromaticContact CD2-CE1 3.86Å; F46-F76 HydrophobicContact CD2-CE1 3.86Å; F46-F76 HydrophobicContact CD2-CZ 4.48Å; F46-F76 HydrophobicContact CE2-CE1 4.16Å; T72-F76 WeakPolarHBondContact O-CB 3.39Å; T72-F76 PolarHBondContact O-N 3.02Å; L73-F76 WeakPolarHBondContact O-CB 3.42Å; L73-F76 PolarHBondContact O-N 3.26Å; L73-F76 VanDerWaalsContact O-N 3.12Å; C74-F76 VanDerWaalsContact C-N 3.31Å; C74-F76 PolarHBondContact O-N 3.08Å; F76-D79 PolarHBondContact O-N 2.94Å; F76-R82 HydrophobicContact CE2-CB 4.32Å; F76-F86 HydrophobicContact CE1-CB 4.47Å; F76-F86 AromaticContact CE1-CD2 3.94Å; F76-F86 HydrophobicContact CE1-CD2 3.94Å; F76-F86 HydrophobicContact CE1-CG 4.29Å; F76-F86 AromaticContact CZ-CD2 3.55Å; F76-F86 HydrophobicContact CZ-CD2 3.55Å; F76-F86 AromaticContact CZ-CE2 3.76Å; F76-F86 HydrophobicContact CZ-CE2 3.76Å; F76-F86 HydrophobicContact CZ-CG 4.18Å |
| 77 | F | 72.4 | Confident | 72.5 | Confident | 16 Ų | 16 | 48.1 Ų | 48.1 | 7% | 0.07 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -78 | -20.5 | -177.3 | -68.9 | -55.5 | 0 | 0 | 0 | 114.3 | F46 L73 C74 D79 V87 F92 L125 | F46-F77 HydrophobicContact CE2-CE1 4.23Å; F46-F77 AromaticContact CE2-CZ 3.81Å; F46-F77 HydrophobicContact CE2-CZ 3.81Å; F46-F77 HydrophobicContact CZ-CZ 4.34Å; L73-F77 HydrophobicContact CB-CD2 4.17Å; L73-F77 HydrophobicContact CB-CE2 4.01Å; L73-F77 HydrophobicContact CD2-CE2 3.86Å; L73-F77 HydrophobicContact CD2-CZ 4.32Å; L73-F77 HydrophobicContact CG-CE2 4.45Å; L73-F77 WeakPolarHBondContact O-CD2 3.18Å; L73-F77 WeakPolarHBondContact O-CG 3.44Å; L73-F77 PolarHBondContact O-N 2.7Å; C74-F77 PolarHBondContact O-N 2.83Å; F77-D79 PolarHBondContact O-N 3.04Å; F77-V87 HydrophobicContact CD1-CG2 4.07Å; F77-V87 HydrophobicContact CE1-CG2 3.5Å; F77-V87 HydrophobicContact CZ-CG2 4.2Å; F77-F92 HydrophobicContact CE2-CE2 4.23Å; F77-F92 AromaticContact CE2-CZ 3.73Å; F77-F92 HydrophobicContact CE2-CZ 3.73Å; F77-F92 AromaticContact CZ-CE1 3.99Å; F77-F92 HydrophobicContact CZ-CE1 3.99Å; F77-F92 HydrophobicContact CZ-CE2 4.01Å; F77-F92 AromaticContact CZ-CZ 3.54Å; F77-F92 HydrophobicContact CZ-CZ 3.54Å; F77-L125 HydrophobicContact CB-CD2 4.07Å; F77-L125 HydrophobicContact CD1-CD2 3.7Å; F77-L125 HydrophobicContact CD2-CD1 3.95Å; F77-L125 HydrophobicContact CD2-CD2 3.61Å; F77-L125 HydrophobicContact CD2-CG 3.99Å; F77-L125 HydrophobicContact CE1-CD2 3.93Å; F77-L125 HydrophobicContact CE2-CD1 3.74Å; F77-L125 HydrophobicContact CE2-CD2 3.84Å; F77-L125 HydrophobicContact CE2-CG 4.23Å; F77-L125 HydrophobicContact CG-CD2 3.53Å; F77-L125 HydrophobicContact CG-CG 4.33Å; F77-L125 HydrophobicContact CZ-CD1 4.32Å; F77-L125 HydrophobicContact CZ-CD2 3.98Å |
| 78 | A | 70.8 | Confident | 71.5 | Confident | 74 Ų | 74 | 50.4 Ų | 50.4 | 61% | 0.612 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -24.4 | 171.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | C74 V80 | C74-A78 PolarHBondContact O-N 3.01Å; A78-V80 PolarHBondContact O-N 2.94Å |
| 79 | D | 66.6 | Low | 70.9 | Confident | 68 Ų | 68 | 49.1 Ų | 49.1 | 36% | 0.364 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -83.6 | 85.8 | 170.4 | -169.7 | -3.2 | 0 | 0 | 0 | 110.6 | F76 F77 V81 R82 S83 | F76-D79 PolarHBondContact O-N 2.94Å; F77-D79 PolarHBondContact O-N 3.04Å; D79-V81 PolarHBondContact O-N 2.68Å; D79-R82 PolarHBondContact O-N 3.14Å; D79-R82 VanDerWaalsContact OD2-CD 3.3Å; D79-R82 WeakPolarHBondContact OD2-CD 3.1Å; D79-R82 IonicContact OD2-NE 3.37Å; D79-R82 PolarHBondContact OD2-NE 3.23Å; D79-S83 PolarHBondContact O-N 2.88Å |
| 80 | V | 53.1 | Low | 70.3 | Confident | 93 Ų | 93 | 54.2 Ų | 54.2 | 56% | 0.564 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -52.7 | -28.6 | -173 | -176.7 | 0 | 0 | 0 | 0 | 113.5 | A78 S83 | A78-V80 PolarHBondContact O-N 2.94Å; V80-S83 PolarHBondContact O-OG 2.9Å |
| 81 | V | 53.2 | Low | 69.7 | Low | 128 Ų | 128 | 56.7 Ų | 56.7 | 78% | 0.776 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -71.7 | -35.6 | -179.2 | -179.3 | 0 | 0 | 0 | 0 | 111.4 | D79 | D79-V81 PolarHBondContact O-N 2.68Å |
| 82 | R | 60.4 | Low | 69.5 | Low | 65 Ų | 65 | 52.5 Ų | 52.5 | 25% | 0.245 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -83.4 | -29.8 | -178.1 | -66.7 | -178.4 | 177.8 | -169.1 | -4.8 | 112.1 | G35 F76 D79 K84 F86 | G35-R82 PolarHBondContact O-NH2 3.23Å; F76-R82 HydrophobicContact CE2-CB 4.32Å; D79-R82 PolarHBondContact O-N 3.14Å; D79-R82 VanDerWaalsContact OD2-CD 3.3Å; D79-R82 WeakPolarHBondContact OD2-CD 3.1Å; D79-R82 IonicContact OD2-NE 3.37Å; D79-R82 PolarHBondContact OD2-NE 3.23Å; R82-K84 PolarHBondContact O-N 3.45Å; R82-F86 WeakPolarHBondContact O-CD2 3.26Å; R82-F86 WeakPolarHBondContact O-CE2 3.05Å |
| 83 | S | 59 | Low | 69.3 | Low | 5 Ų | 5 | 52.8 Ų | 52.8 | 4% | 0.035 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -71.3 | -31.7 | -167.7 | 60.5 | 0 | 0 | 0 | 0 | 115.5 | D79 V80 D85 F86 V87 | D79-S83 PolarHBondContact O-N 2.88Å; V80-S83 PolarHBondContact O-OG 2.9Å; S83-D85 VanDerWaalsContact C-N 3.33Å; S83-D85 PolarHBondContact O-N 3.31Å; S83-F86 PolarHBondContact O-N 3.29Å; S83-V87 VanDerWaalsContact O-CG2 3.32Å; S83-V87 WeakPolarHBondContact O-CG2 3.43Å; S83-V87 PolarHBondContact O-N 2.8Å |
| 84 | K | 63.3 | Low | 69.2 | Low | 112 Ų | 112 | 59 Ų | 59 | 49% | 0.487 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -56.5 | -39.8 | -169.7 | -66.7 | -167.8 | -176.8 | -168 | 0 | 114.2 | R82 E130 | R82-K84 PolarHBondContact O-N 3.45Å; K84-E130 VanDerWaalsContact CE-OE2 3.32Å; K84-E130 WeakPolarHBondContact CE-OE2 3.43Å; K84-E130 IonicContact NZ-OE1 2.74Å; K84-E130 IonicContact NZ-OE2 3.14Å; K84-E130 PolarHBondContact NZ-OE2 2.8Å |
| 85 | D | 65.6 | Low | 69.3 | Low | 116 Ų | 116 | 58.1 Ų | 58.1 | 62% | 0.62 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -76.1 | -28 | -175.3 | -67.4 | -23.3 | 0 | 0 | 0 | 113.8 | S83 | S83-D85 VanDerWaalsContact C-N 3.33Å; S83-D85 PolarHBondContact O-N 3.31Å |
| 86 | F | 70.5 | Confident | 69.5 | Low | 8 Ų | 8 | 52.1 Ų | 52.1 | 4% | 0.035 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -87.6 | -33.8 | -172.4 | -61.3 | -74.2 | 0 | 0 | 0 | 112.7 | I42 H43 F46 F76 R82 S83 G88 K89 | I42-F86 HydrophobicContact CB-CZ 4Å; I42-F86 HydrophobicContact CG2-CE1 4.05Å; I42-F86 HydrophobicContact CG2-CE2 3.81Å; I42-F86 HydrophobicContact CG2-CZ 3.31Å; H43-F86 HydrophobicContact CB-CE1 4.13Å; H43-F86 AromaticContact CE1-CE1 3.56Å; H43-F86 AromaticContact CE1-CZ 3.94Å; H43-F86 AromaticContact CG-CE1 3.57Å; H43-F86 AromaticContact ND1-CD1 3.71Å; H43-F86 AromaticContact ND1-CE1 3.12Å; H43-F86 WeakPolarHBondContact ND1-CE1 3.49Å; H43-F86 AromaticContact ND1-CZ 3.91Å; F46-F86 HydrophobicContact CB-CD1 3.67Å; F46-F86 HydrophobicContact CB-CE1 4.06Å; F46-F86 HydrophobicContact CB-CG 4.39Å; F46-F86 HydrophobicContact CD1-CB 3.87Å; F46-F86 AromaticContact CD1-CD1 3.65Å; F46-F86 HydrophobicContact CD1-CD1 3.65Å; F46-F86 HydrophobicContact CD1-CG 4.13Å; F46-F86 HydrophobicContact CD2-CB 3.91Å; F46-F86 HydrophobicContact CD2-CD1 4.17Å; F46-F86 HydrophobicContact CD2-CG 4.1Å; F46-F86 HydrophobicContact CE1-CB 3.67Å; F46-F86 HydrophobicContact CE1-CD1 4.31Å; F46-F86 HydrophobicContact CE1-CG 4.43Å; F46-F86 WeakPolarHBondContact CE1-O 3.28Å; F46-F86 HydrophobicContact CE2-CB 3.75Å; F46-F86 HydrophobicContact CE2-CG 4.43Å; F46-F86 HydrophobicContact CG-CB 3.96Å; F46-F86 AromaticContact CG-CD1 3.54Å; F46-F86 HydrophobicContact CG-CD1 3.54Å; F46-F86 HydrophobicContact CG-CE1 4.41Å; F46-F86 AromaticContact CG-CG 3.93Å; F46-F86 HydrophobicContact CG-CG 3.93Å; F46-F86 HydrophobicContact CZ-CB 3.61Å; F76-F86 HydrophobicContact CE1-CB 4.47Å; F76-F86 AromaticContact CE1-CD2 3.94Å; F76-F86 HydrophobicContact CE1-CD2 3.94Å; F76-F86 HydrophobicContact CE1-CG 4.29Å; F76-F86 AromaticContact CZ-CD2 3.55Å; F76-F86 HydrophobicContact CZ-CD2 3.55Å; F76-F86 AromaticContact CZ-CE2 3.76Å; F76-F86 HydrophobicContact CZ-CE2 3.76Å; F76-F86 HydrophobicContact CZ-CG 4.18Å; R82-F86 WeakPolarHBondContact O-CD2 3.26Å; R82-F86 WeakPolarHBondContact O-CE2 3.05Å; S83-F86 PolarHBondContact O-N 3.29Å; F86-G88 PolarHBondContact O-N 2.74Å; F86-K89 WeakPolarHBondContact O-CB 3.34Å; F86-K89 PolarHBondContact O-N 3.1Å |
| 87 | V | 66.6 | Low | 69.7 | Low | 4 Ų | 4 | 52.8 Ų | 52.8 | 2% | 0.024 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -64.6 | -29 | -175.7 | 173.9 | 0 | 0 | 0 | 0 | 112.4 | F77 S83 K89 L125 M131 L133 | F77-V87 HydrophobicContact CD1-CG2 4.07Å; F77-V87 HydrophobicContact CE1-CG2 3.5Å; F77-V87 HydrophobicContact CZ-CG2 4.2Å; S83-V87 VanDerWaalsContact O-CG2 3.32Å; S83-V87 WeakPolarHBondContact O-CG2 3.43Å; S83-V87 PolarHBondContact O-N 2.8Å; V87-K89 VanDerWaalsContact C-N 3.28Å; V87-K89 PolarHBondContact O-N 3.23Å; V87-L125 HydrophobicContact CG2-CD2 3.95Å; V87-M131 HydrophobicContact CB-CE 4Å; V87-M131 HydrophobicContact CB-SD 4.01Å; V87-M131 HydrophobicContact CG1-CB 4.18Å; V87-M131 HydrophobicContact CG1-CE 4.32Å; V87-M131 HydrophobicContact CG1-CG 4.15Å; V87-M131 HydrophobicContact CG1-SD 3.66Å; V87-M131 HydrophobicContact CG2-CE 3.63Å; V87-M131 HydrophobicContact CG2-SD 3.79Å; V87-L133 HydrophobicContact CB-CD1 4.48Å; V87-L133 HydrophobicContact CG1-CB 4.31Å; V87-L133 HydrophobicContact CG1-CD1 3.12Å; V87-L133 HydrophobicContact CG1-CG 3.39Å |
| 88 | G | 63.2 | Low | 70.2 | Confident | 58 Ų | 58 | 54 Ų | 54 | 60% | 0.598 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.3 | -5.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | F86 | F86-G88 PolarHBondContact O-N 2.74Š|
| 89 | K | 73 | Confident | 70.8 | Confident | 39 Ų | 39 | 50.5 Ų | 50.5 | 17% | 0.17 | 28% | 0.283 | C | S | . | . | trans | -70.7 | 130.6 | -175.2 | -75 | -173.2 | 164.6 | -169.1 | 0 | 111.7 | H43 F46 D47 F86 V87 L91 F92 S93 | H43-K89 WeakPolarHBondContact ND1-CE 3.35Å; H43-K89 PolarHBondContact ND1-NZ 2.71Å; F46-K89 HydrophobicContact CD1-CD 3.98Å; F46-K89 HydrophobicContact CE1-CB 4.48Å; F46-K89 HydrophobicContact CE1-CD 4.05Å; D47-K89 WeakPolarHBondContact OD1-CD 3.21Å; D47-K89 IonicContact OD1-NZ 2.91Å; D47-K89 PolarHBondContact OD1-NZ 3.1Å; D47-K89 IonicContact OD2-NZ 3.22Å; D47-K89 PolarHBondContact OD2-NZ 3.29Å; F86-K89 WeakPolarHBondContact O-CB 3.34Å; F86-K89 PolarHBondContact O-N 3.1Å; V87-K89 VanDerWaalsContact C-N 3.28Å; V87-K89 PolarHBondContact O-N 3.23Å; K89-L91 PolarHBondContact O-N 3.06Å; K89-L91 VanDerWaalsContact O-N 3.12Å; K89-F92 HydrophobicContact CB-CB 4.44Å; K89-F92 PolarHBondContact O-N 3.07Å; K89-S93 PolarHBondContact O-N 2.8Å | ||
| 90 | P | 72.2 | Confident | 71.7 | Confident | 107 Ų | 107 | 47.6 Ų | 47.6 | 70% | 0.695 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -56.8 | -29.6 | 174.2 | -25.7 | 33.8 | 0 | 0 | 0 | 113.9 | S93 K94 | P90-S93 PolarHBondContact O-OG 2.82Å; P90-S93 VanDerWaalsContact O-OG 3.09Å; P90-K94 WeakPolarHBondContact O-CB 2.98Å; P90-K94 PolarHBondContact O-N 3.09Å |
| 91 | L | 75.8 | Confident | 73.1 | Confident | 52 Ų | 52 | 48.3 Ų | 48.3 | 27% | 0.272 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -65.6 | -40.1 | 177.3 | -171 | 67.4 | 0 | 0 | 0 | 111.2 | D47 C50 L54 K89 K94 S95 | D47-L91 HydrophobicContact CB-CD2 3.88Å; C50-L91 HydrophobicContact CB-CD2 3.66Å; C50-L91 HydrophobicContact CB-CG 3.64Å; L54-L91 HydrophobicContact CD1-CD1 3.72Å; K89-L91 PolarHBondContact O-N 3.06Å; K89-L91 VanDerWaalsContact O-N 3.12Å; L91-K94 PolarHBondContact O-N 3.46Å; L91-S95 WeakPolarHBondContact O-CB 3.03Å; L91-S95 PolarHBondContact O-N 3.46Å; L91-S95 PolarHBondContact O-OG 3.19Å |
| 92 | F | 79.8 | Confident | 74.5 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -68.4 | -47 | -179.3 | -177.3 | -123.6 | 0 | 0 | 0 | 112.1 | F46 M53 F77 K89 K94 S95 L96 L125 L133 | F46-F92 HydrophobicContact CE1-CB 3.85Å; F46-F92 HydrophobicContact CE1-CD2 4.29Å; F46-F92 HydrophobicContact CE1-CG 4.19Å; F46-F92 HydrophobicContact CE2-CD2 4.19Å; F46-F92 HydrophobicContact CE2-CE2 4.43Å; F46-F92 HydrophobicContact CZ-CB 3.78Å; F46-F92 HydrophobicContact CZ-CD1 4.26Å; F46-F92 AromaticContact CZ-CD2 3.49Å; F46-F92 HydrophobicContact CZ-CD2 3.49Å; F46-F92 VanDerWaalsContact CZ-CD2 3.49Å; F46-F92 HydrophobicContact CZ-CE2 4.11Å; F46-F92 AromaticContact CZ-CG 3.58Å; F46-F92 HydrophobicContact CZ-CG 3.58Å; M53-F92 HydrophobicContact SD-CE2 4.44Å; F77-F92 HydrophobicContact CE2-CE2 4.23Å; F77-F92 AromaticContact CE2-CZ 3.73Å; F77-F92 HydrophobicContact CE2-CZ 3.73Å; F77-F92 AromaticContact CZ-CE1 3.99Å; F77-F92 HydrophobicContact CZ-CE1 3.99Å; F77-F92 HydrophobicContact CZ-CE2 4.01Å; F77-F92 AromaticContact CZ-CZ 3.54Å; F77-F92 HydrophobicContact CZ-CZ 3.54Å; K89-F92 HydrophobicContact CB-CB 4.44Å; K89-F92 PolarHBondContact O-N 3.07Å; F92-K94 VanDerWaalsContact C-N 3.3Å; F92-K94 PolarHBondContact O-N 3Å; F92-S95 WeakPolarHBondContact O-CA 3.46Å; F92-S95 WeakPolarHBondContact O-CB 2.83Å; F92-S95 PolarHBondContact O-N 3.4Å; F92-L96 PolarHBondContact O-N 3.48Å; F92-L125 HydrophobicContact CE1-CD1 3.99Å; F92-L125 HydrophobicContact CZ-CD1 3.67Å; F92-L133 HydrophobicContact CD1-CD2 4.4Å; F92-L133 HydrophobicContact CE1-CD2 3.85Å; F92-L133 HydrophobicContact CE1-CG 4.43Å |
| 93 | S | 74.3 | Confident | 75.6 | Confident | 10 Ų | 10 | 42.3 Ų | 42.3 | 7% | 0.07 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -60.7 | -40.3 | 176.6 | 57.2 | 0 | 0 | 0 | 0 | 112.2 | K89 P90 S95 L97 | K89-S93 PolarHBondContact O-N 2.8Å; P90-S93 PolarHBondContact O-OG 2.82Å; P90-S93 VanDerWaalsContact O-OG 3.09Å; S93-S95 VanDerWaalsContact C-N 3.29Å; S93-S95 PolarHBondContact O-N 3.44Å; S93-L97 WeakPolarHBondContact O-CG 3.36Å; S93-L97 PolarHBondContact O-N 2.77Å; S93-L97 VanDerWaalsContact O-N 3.09Å |
| 94 | K | 79.3 | Confident | 76.7 | Confident | 132 Ų | 132 | 42.5 Ų | 42.5 | 57% | 0.574 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -61.5 | -39 | 172.9 | -167.7 | -175.2 | 177.9 | -177.6 | 0 | 112 | L54 P90 L91 F92 S98 | L54-K94 HydrophobicContact CD2-CD 4.25Å; L54-K94 HydrophobicContact CD2-CG 3.98Å; P90-K94 WeakPolarHBondContact O-CB 2.98Å; P90-K94 PolarHBondContact O-N 3.09Å; L91-K94 PolarHBondContact O-N 3.46Å; F92-K94 VanDerWaalsContact C-N 3.3Å; F92-K94 PolarHBondContact O-N 3Å; K94-S98 WeakPolarHBondContact O-CB 3.13Å; K94-S98 PolarHBondContact O-N 2.94Å |
| 95 | S | 81.3 | Confident | 77.5 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -68.3 | -46.7 | 179.9 | -56.4 | 0 | 0 | 0 | 0 | 111.7 | C50 L91 F92 S93 L97 S98 C99 | C50-S95 WeakPolarHBondContact CA-OG 3.38Å; C50-S95 WeakPolarHBondContact CB-OG 3.09Å; C50-S95 PolarHBondContact O-OG 3.39Å; L91-S95 WeakPolarHBondContact O-CB 3.03Å; L91-S95 PolarHBondContact O-N 3.46Å; L91-S95 PolarHBondContact O-OG 3.19Å; F92-S95 WeakPolarHBondContact O-CA 3.46Å; F92-S95 WeakPolarHBondContact O-CB 2.83Å; F92-S95 PolarHBondContact O-N 3.4Å; S93-S95 VanDerWaalsContact C-N 3.29Å; S93-S95 PolarHBondContact O-N 3.44Å; S95-L97 PolarHBondContact O-N 3.27Å; S95-S98 WeakPolarHBondContact O-CB 3.48Å; S95-S98 PolarHBondContact O-N 2.81Å; S95-S98 VanDerWaalsContact O-N 3.16Å; S95-C99 PolarHBondContact O-N 2.77Å; S95-C99 PolarHBondContact O-SG 2.88Å |
| 96 | L | 82.3 | Confident | 77.8 | Confident | 5 Ų | 5 | 36 Ų | 36 | 3% | 0.026 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -57.9 | -46.4 | 175.8 | -177.7 | 66.2 | 0 | 0 | 0 | 111.6 | W70 F92 S98 C99 L100 L133 L134 | W70-L96 HydrophobicContact CH2-CD1 3.65Å; W70-L96 HydrophobicContact CZ3-CD1 4.25Å; F92-L96 PolarHBondContact O-N 3.48Å; L96-S98 VanDerWaalsContact C-N 3.33Å; L96-S98 PolarHBondContact O-N 3.33Å; L96-C99 PolarHBondContact O-N 3.46Å; L96-L100 PolarHBondContact O-N 3.07Å; L96-L133 HydrophobicContact CD2-CD2 3.79Å; L96-L134 HydrophobicContact CD2-CD1 4.15Å; L96-L134 HydrophobicContact CD2-CG 4.47Å |
| 97 | L | 81.3 | Confident | 77.4 | Confident | 17 Ų | 17 | 41.4 Ų | 41.4 | 9% | 0.089 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -61.8 | -40.7 | 175.9 | -72.1 | 171.3 | 0 | 0 | 0 | 112.3 | S93 S95 C99 L100 H101 L134 Q140 D143 A144 | S93-L97 WeakPolarHBondContact O-CG 3.36Å; S93-L97 PolarHBondContact O-N 2.77Å; S93-L97 VanDerWaalsContact O-N 3.09Å; S95-L97 PolarHBondContact O-N 3.27Å; L97-C99 VanDerWaalsContact C-N 3.31Å; L97-C99 PolarHBondContact O-N 3.45Å; L97-L100 PolarHBondContact O-N 3.37Å; L97-H101 WeakPolarHBondContact O-CB 3.38Å; L97-H101 PolarHBondContact O-N 3.3Å; L97-L134 HydrophobicContact CD2-CD2 4.22Å; L97-L134 HydrophobicContact CG-CD2 4.31Å; L97-Q140 HydrophobicContact CD1-CB 3.89Å; L97-Q140 HydrophobicContact CD1-CG 3.75Å; L97-Q140 WeakPolarHBondContact CD2-O 3.33Å; L97-D143 HydrophobicContact CD2-CB 4.26Å; L97-A144 HydrophobicContact CD2-CB 3.83Å |
| 98 | S | 82.5 | Confident | 77.1 | Confident | 40 Ų | 40 | 44 Ų | 44 | 28% | 0.28 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -61 | -40.5 | 175.4 | -168.1 | 0 | 0 | 0 | 0 | 111.8 | K94 S95 L96 H101 F102 | K94-S98 WeakPolarHBondContact O-CB 3.13Å; K94-S98 PolarHBondContact O-N 2.94Å; S95-S98 WeakPolarHBondContact O-CB 3.48Å; S95-S98 PolarHBondContact O-N 2.81Å; S95-S98 VanDerWaalsContact O-N 3.16Å; L96-S98 VanDerWaalsContact C-N 3.33Å; L96-S98 PolarHBondContact O-N 3.33Å; S98-H101 PolarHBondContact O-N 3.48Å; S98-F102 WeakPolarHBondContact O-CB 3.34Å; S98-F102 PolarHBondContact O-N 2.82Å |
| 99 | C | 84.1 | Confident | 77.2 | Confident | 2 Ų | 2 | 45 Ų | 45 | 1% | 0.014 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -68.5 | -42.3 | 176.5 | -64.4 | 0 | 0 | 0 | 0 | 112.5 | M53 I56 W70 S95 L96 L97 H101 F102 A103 M118 | M53-C99 VanDerWaalsContact CE-SG 3.55Å; I56-C99 VanDerWaalsContact CD1-SG 3.52Å; W70-C99 HydrophobicContact CH2-CB 4.45Å; W70-C99 HydrophobicContact CZ2-CB 3.68Å; S95-C99 PolarHBondContact O-N 2.77Å; S95-C99 PolarHBondContact O-SG 2.88Å; L96-C99 PolarHBondContact O-N 3.46Å; L97-C99 VanDerWaalsContact C-N 3.31Å; L97-C99 PolarHBondContact O-N 3.45Å; C99-H101 VanDerWaalsContact C-N 3.3Å; C99-H101 PolarHBondContact O-N 3.15Å; C99-F102 PolarHBondContact O-N 2.64Å; C99-A103 WeakPolarHBondContact O-CB 2.91Å; C99-A103 PolarHBondContact O-N 2.78Å; C99-M118 HydrophobicContact CB-SD 4.06Å |
| 100 | L | 84.4 | Confident | 77 | Confident | 7 Ų | 7 | 51.5 Ų | 51.5 | 4% | 0.037 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -60.1 | -42.8 | 173.9 | -74.1 | 172.3 | 0 | 0 | 0 | 111.2 | L96 L97 A103 A104 M118 A144 Q147 I151 | L96-L100 PolarHBondContact O-N 3.07Å; L97-L100 PolarHBondContact O-N 3.37Å; L100-A103 PolarHBondContact O-N 2.94Å; L100-A104 VanDerWaalsContact O-CB 3.29Å; L100-A104 WeakPolarHBondContact O-CB 3.34Å; L100-A104 PolarHBondContact O-N 3.22Å; L100-M118 HydrophobicContact CD2-CE 3.92Å; L100-A144 HydrophobicContact CD1-CB 3.99Å; L100-Q147 HydrophobicContact CB-CB 3.83Å; L100-Q147 HydrophobicContact CB-CG 4.28Å; L100-I151 HydrophobicContact CD2-CD1 3.97Å |
| 101 | H | 83.7 | Confident | 76.9 | Confident | 107 Ų | 107 | 47.9 Ų | 47.9 | 50% | 0.495 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -63 | -43.5 | 176.5 | -170.8 | 67.2 | 0 | 0 | 0 | 111.9 | L97 S98 C99 A104 S105 Q147 | L97-H101 WeakPolarHBondContact O-CB 3.38Å; L97-H101 PolarHBondContact O-N 3.3Å; S98-H101 PolarHBondContact O-N 3.48Å; C99-H101 VanDerWaalsContact C-N 3.3Å; C99-H101 PolarHBondContact O-N 3.15Å; H101-A104 PolarHBondContact O-N 3.14Å; H101-S105 WeakPolarHBondContact O-CB 3.16Å; H101-S105 PolarHBondContact O-N 3.21Å; H101-S105 PolarHBondContact O-OG 3.44Å; H101-Q147 HydrophobicContact CB-CG 4.37Å; H101-Q147 PolarHBondContact ND1-NE2 3.31Å; H101-Q147 PolarHBondContact ND1-OE1 3.35Å |
| 102 | F | 82.4 | Confident | 77 | Confident | 61 Ų | 61 | 45.9 Ų | 45.9 | 27% | 0.268 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -60.6 | -48 | 174.9 | -178.4 | -104.6 | 0 | 0 | 0 | 111.7 | I56 I66 S98 C99 A104 S105 A106 Y114 | I56-F102 HydrophobicContact CG2-CD1 3.78Å; I56-F102 HydrophobicContact CG2-CD2 4.29Å; I56-F102 HydrophobicContact CG2-CE1 3.59Å; I56-F102 HydrophobicContact CG2-CE2 4.12Å; I56-F102 HydrophobicContact CG2-CG 4.13Å; I56-F102 HydrophobicContact CG2-CZ 3.77Å; I66-F102 HydrophobicContact CD1-CE1 3.96Å; S98-F102 WeakPolarHBondContact O-CB 3.34Å; S98-F102 PolarHBondContact O-N 2.82Å; C99-F102 PolarHBondContact O-N 2.64Å; F102-A104 PolarHBondContact O-N 3.11Å; F102-S105 PolarHBondContact O-N 2.96Å; F102-S105 VanDerWaalsContact O-N 3.15Å; F102-S105 PolarHBondContact O-OG 2.65Å; F102-A106 PolarHBondContact O-N 2.9Å; F102-Y114 WeakPolarHBondContact CD1-OH 3.43Å; F102-Y114 HydrophobicContact CE1-CE1 4.13Å; F102-Y114 AromaticContact CE1-CZ 3.83Å; F102-Y114 WeakPolarHBondContact CE1-OH 3.38Å |
| 103 | A | 83.3 | Confident | 77 | Confident | 6 Ų | 6 | 49.6 Ų | 49.6 | 5% | 0.05 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -62.6 | -40.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | C99 L100 S105 A106 Y114 L115 M118 I151 | C99-A103 WeakPolarHBondContact O-CB 2.91Å; C99-A103 PolarHBondContact O-N 2.78Å; L100-A103 PolarHBondContact O-N 2.94Å; A103-S105 VanDerWaalsContact C-N 3.26Å; A103-S105 PolarHBondContact O-N 3.18Å; A103-A106 WeakPolarHBondContact O-CB 3.49Å; A103-A106 PolarHBondContact O-N 3.3Å; A103-Y114 HydrophobicContact CB-CE2 4.08Å; A103-L115 HydrophobicContact CB-CD1 4.08Å; A103-M118 HydrophobicContact CB-CE 3.81Å; A103-M118 HydrophobicContact CB-SD 4.42Å; A103-I151 HydrophobicContact CB-CD1 3.69Å; A103-I151 HydrophobicContact CB-CG1 4.1Å |
| 104 | A | 82.8 | Confident | 77.5 | Confident | 9 Ų | 9 | 49.3 Ų | 49.3 | 7% | 0.074 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -64.1 | -31.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | L100 H101 F102 A106 Q147 T150 I151 N154 | L100-A104 VanDerWaalsContact O-CB 3.29Å; L100-A104 WeakPolarHBondContact O-CB 3.34Å; L100-A104 PolarHBondContact O-N 3.22Å; H101-A104 PolarHBondContact O-N 3.14Å; F102-A104 PolarHBondContact O-N 3.11Å; A104-A106 VanDerWaalsContact C-N 3.33Å; A104-Q147 HydrophobicContact CB-CB 4.12Å; A104-T150 HydrophobicContact CB-CG2 3.95Å; A104-I151 HydrophobicContact CB-CG1 4.07Å; A104-N154 PolarHBondContact O-ND2 3.08Å |
| 105 | S | 78.9 | Confident | 77.7 | Confident | 72 Ų | 72 | 43.2 Ų | 43.2 | 50% | 0.503 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | -6.3 | 178.1 | 73.1 | 0 | 0 | 0 | 0 | 114.8 | H101 F102 A103 S107 | H101-S105 WeakPolarHBondContact O-CB 3.16Å; H101-S105 PolarHBondContact O-N 3.21Å; H101-S105 PolarHBondContact O-OG 3.44Å; F102-S105 PolarHBondContact O-N 2.96Å; F102-S105 VanDerWaalsContact O-N 3.15Å; F102-S105 PolarHBondContact O-OG 2.65Å; A103-S105 VanDerWaalsContact C-N 3.26Å; A103-S105 PolarHBondContact O-N 3.18Å; S105-S107 PolarHBondContact O-N 2.78Å |
| 106 | A | 73.1 | Confident | 77.9 | Confident | 19 Ų | 19 | 46.3 Ų | 46.3 | 16% | 0.157 | 28% | 0.283 | C | S | . | . | trans | -70.7 | 99.9 | -176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | F102 A103 A104 P112 R158 | F102-A106 PolarHBondContact O-N 2.9Å; A103-A106 WeakPolarHBondContact O-CB 3.49Å; A103-A106 PolarHBondContact O-N 3.3Å; A104-A106 VanDerWaalsContact C-N 3.33Å; A106-P112 HydrophobicContact CB-CG 3.95Å; A106-R158 PolarHBondContact O-NH2 3.03Å | ||
| 107 | S | 62.1 | Low | 78 | Confident | 123 Ų | 123 | 46.5 Ų | 46.5 | 86% | 0.86 | 29% | 0.285 | S | S | * | . | trans | -87 | 4.4 | -177.7 | 59.8 | 0 | 0 | 0 | 0 | 114.9 | S105 | S105-S107 PolarHBondContact O-N 2.78Š| ||
| 108 | S | 60.2 | Low | 78.2 | Confident | 59 Ų | 59 | 45.8 Ų | 45.8 | 41% | 0.413 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -67 | 153.9 | -175.7 | 56.1 | 0 | 0 | 0 | 0 | 112.6 | K110 R158 | S108-K110 PolarHBondContact O-N 3.39Å; S108-K110 PolarHBondContact OG-O 3.41Å; S108-K110 VanDerWaalsContact OG-O 3.05Å; S108-R158 PolarHBondContact O-NH2 3.37Å |
| 109 | G | 64.6 | Low | 78.3 | Confident | 79 Ų | 79 | 44 Ų | 44 | 81% | 0.814 | 27% | 0.268 | S | S | * | . | S | Bend | trans | -72.2 | 0.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 110 | K | 68.3 | Low | 78.3 | Confident | 175 Ų | 175 | 47.3 Ų | 47.3 | 76% | 0.761 | 28% | 0.283 | S | S | * | . | S | Bend | trans | -129.8 | 146.6 | 178.2 | -68.2 | -174 | 178.8 | -176.8 | 0 | 109.7 | S108 | S108-K110 PolarHBondContact O-N 3.39Å; S108-K110 PolarHBondContact OG-O 3.41Å; S108-K110 VanDerWaalsContact OG-O 3.05Å |
| 111 | T | 70.5 | Confident | 78.1 | Confident | 31 Ų | 31 | 47 Ų | 47 | 19% | 0.19 | 28% | 0.282 | C | S | . | . | trans | -69.5 | 127.3 | 175.9 | -63.2 | 0 | 0 | 0 | 0 | 110.7 | T113 L115 R158 E160 | T111-T113 PolarHBondContact O-N 2.94Å; T111-L115 HydrophobicContact CG2-CB 4.22Å; T111-L115 HydrophobicContact CG2-CD2 3.54Å; T111-R158 WeakPolarHBondContact OG1-CD 3.35Å; T111-R158 PolarHBondContact OG1-NH1 2.82Å; T111-R158 VanDerWaalsContact OG1-NH1 3.07Å; T111-E160 WeakPolarHBondContact CB-OE2 3.47Å; T111-E160 PolarHBondContact OG1-OE2 3.07Å | ||
| 112 | P | 76.9 | Confident | 77.9 | Confident | 9 Ų | 9 | 42.1 Ų | 42.1 | 6% | 0.058 | 26% | 0.26 | C | S | . | . | trans | -60.3 | 135.3 | -177.4 | -20 | 29.8 | 0 | 0 | 0 | 111.2 | A106 Y114 L115 | A106-P112 HydrophobicContact CB-CG 3.95Å; P112-Y114 HydrophobicContact CB-CD1 3.64Å; P112-Y114 HydrophobicContact CB-CD2 4.43Å; P112-Y114 HydrophobicContact CB-CE1 3.21Å; P112-Y114 HydrophobicContact CB-CE2 4.05Å; P112-Y114 HydrophobicContact CB-CG 4.23Å; P112-Y114 VanDerWaalsContact CB-CZ 3.42Å; P112-Y114 HydrophobicContact CG-CE1 4.09Å; P112-Y114 PolarHBondContact O-N 3.26Å; P112-Y114 VanDerWaalsContact O-N 3.15Å; P112-L115 VanDerWaalsContact O-CB 3.26Å; P112-L115 WeakPolarHBondContact O-CB 3.37Å; P112-L115 PolarHBondContact O-N 2.86Å | ||
| 113 | T | 81 | Confident | 77.6 | Confident | 78 Ų | 78 | 39.7 Ų | 39.7 | 48% | 0.479 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -27 | -175.5 | 51.5 | 0 | 0 | 0 | 0 | 112.7 | D63 D64 T111 L115 P117 | D63-T113 VanDerWaalsContact CB-OG1 3.25Å; D63-T113 WeakPolarHBondContact CB-OG1 3.35Å; D64-T113 PolarHBondContact OD1-OG1 2.62Å; T111-T113 PolarHBondContact O-N 2.94Å; T113-L115 VanDerWaalsContact C-N 3.29Å; T113-L115 PolarHBondContact O-N 3.44Å; T113-P117 WeakPolarHBondContact O-CD 3.25Å |
| 114 | Y | 84.1 | Confident | 77.1 | Confident | 5 Ų | 5 | 44.7 Ų | 44.7 | 2% | 0.02 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | -11.9 | 176.1 | 64.9 | -101.1 | 0 | 0 | 0 | 115.1 | D63 I66 F102 A103 P112 P117 M118 | D63-Y114 HydrophobicContact CB-CD1 3.85Å; D63-Y114 HydrophobicContact CB-CE1 4.31Å; D63-Y114 WeakPolarHBondContact OD1-CE1 3.23Å; I66-Y114 HydrophobicContact CB-CD1 3.97Å; I66-Y114 HydrophobicContact CB-CG 3.98Å; I66-Y114 HydrophobicContact CD1-CD1 4.01Å; I66-Y114 HydrophobicContact CD1-CE1 4.02Å; I66-Y114 HydrophobicContact CG2-CD1 4.02Å; I66-Y114 HydrophobicContact CG2-CD2 3.99Å; I66-Y114 HydrophobicContact CG2-CG 3.62Å; F102-Y114 WeakPolarHBondContact CD1-OH 3.43Å; F102-Y114 HydrophobicContact CE1-CE1 4.13Å; F102-Y114 AromaticContact CE1-CZ 3.83Å; F102-Y114 WeakPolarHBondContact CE1-OH 3.38Å; A103-Y114 HydrophobicContact CB-CE2 4.08Å; P112-Y114 HydrophobicContact CB-CD1 3.64Å; P112-Y114 HydrophobicContact CB-CD2 4.43Å; P112-Y114 HydrophobicContact CB-CE1 3.21Å; P112-Y114 HydrophobicContact CB-CE2 4.05Å; P112-Y114 HydrophobicContact CB-CG 4.23Å; P112-Y114 VanDerWaalsContact CB-CZ 3.42Å; P112-Y114 HydrophobicContact CG-CE1 4.09Å; P112-Y114 PolarHBondContact O-N 3.26Å; P112-Y114 VanDerWaalsContact O-N 3.15Å; Y114-P117 WeakPolarHBondContact O-CD 3.39Å; Y114-M118 VanDerWaalsContact O-CB 3.29Å; Y114-M118 WeakPolarHBondContact O-CB 3.15Å; Y114-M118 PolarHBondContact O-N 2.92Å; Y114-M118 VanDerWaalsContact O-N 3.08Å |
| 115 | L | 84.5 | Confident | 76.6 | Confident | 4 Ų | 4 | 44.5 Ų | 44.5 | 2% | 0.021 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -65.3 | -48.4 | -170 | -174.8 | 70.6 | 0 | 0 | 0 | 112.2 | A103 T111 P112 T113 M118 I119 I151 L162 | A103-L115 HydrophobicContact CB-CD1 4.08Å; T111-L115 HydrophobicContact CG2-CB 4.22Å; T111-L115 HydrophobicContact CG2-CD2 3.54Å; P112-L115 VanDerWaalsContact O-CB 3.26Å; P112-L115 WeakPolarHBondContact O-CB 3.37Å; P112-L115 PolarHBondContact O-N 2.86Å; T113-L115 VanDerWaalsContact C-N 3.29Å; T113-L115 PolarHBondContact O-N 3.44Å; L115-M118 HydrophobicContact CD1-CE 3.75Å; L115-M118 WeakPolarHBondContact O-CB 3.41Å; L115-M118 PolarHBondContact O-N 3.06Å; L115-I119 HydrophobicContact CD1-CD1 4.03Å; L115-I119 HydrophobicContact CD2-CD1 4.29Å; L115-I119 HydrophobicContact CG-CD1 3.72Å; L115-I119 WeakPolarHBondContact O-CD1 3.07Å; L115-I119 VanDerWaalsContact O-CG1 3.25Å; L115-I119 WeakPolarHBondContact O-CG1 3.21Å; L115-I119 PolarHBondContact O-N 3.09Å; L115-I151 HydrophobicContact CD1-CD1 4.38Å; L115-I151 HydrophobicContact CD1-CG2 3.59Å; L115-I151 HydrophobicContact CD2-CG2 3.85Å; L115-I151 HydrophobicContact CG-CG2 4.28Å; L115-L162 HydrophobicContact CD2-CD1 3.91Å; L115-L162 HydrophobicContact CG-CD1 4.37Å |
| 116 | L | 84 | Confident | 76 | Confident | 64 Ų | 64 | 41.5 Ų | 41.5 | 34% | 0.335 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -63.8 | -51.4 | -179.8 | 175 | 66.8 | 0 | 0 | 0 | 111.9 | M118 I119 E120 L162 E164 | L116-M118 PolarHBondContact O-N 2.91Å; L116-I119 PolarHBondContact O-N 3.38Å; L116-E120 HydrophobicContact CD1-CG 3.99Å; L116-E120 HydrophobicContact CG-CG 4.32Å; L116-E120 WeakPolarHBondContact O-CG 3.3Å; L116-E120 PolarHBondContact O-N 3.23Å; L116-L162 HydrophobicContact CD1-CD2 4.38Å; L116-E164 HydrophobicContact CD1-CG 4.43Å |
| 117 | P | 84.6 | Confident | 75.6 | Confident | 10 Ų | 10 | 45.5 Ų | 45.5 | 7% | 0.065 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -55.5 | -37.1 | 175.3 | -26.9 | 33.3 | 0 | 0 | 0 | 113.6 | A67 W70 T113 Y114 C121 | A67-P117 HydrophobicContact CB-CG 4.44Å; W70-P117 HydrophobicContact CB-CB 3.82Å; T113-P117 WeakPolarHBondContact O-CD 3.25Å; Y114-P117 WeakPolarHBondContact O-CD 3.39Å; P117-C121 VanDerWaalsContact O-CB 3.25Å; P117-C121 WeakPolarHBondContact O-CB 3.23Å; P117-C121 PolarHBondContact O-N 2.91Å |
| 118 | M | 86.9 | Confident | 75.4 | Confident | 2 Ų | 2 | 41.4 Ų | 41.4 | 1% | 0.01 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -64.4 | -47 | 176 | 177.4 | -177.7 | 80.6 | 0 | 0 | 111.9 | W70 C99 L100 A103 Y114 L115 L116 C121 A122 I151 | W70-M118 HydrophobicContact CD2-CB 3.81Å; W70-M118 HydrophobicContact CD2-CG 3.98Å; W70-M118 VanDerWaalsContact CE2-CG 3.47Å; W70-M118 HydrophobicContact CE3-CB 4.44Å; W70-M118 HydrophobicContact CE3-CG 4.38Å; W70-M118 HydrophobicContact CG-CB 3.96Å; W70-M118 HydrophobicContact CH2-CG 3.9Å; W70-M118 HydrophobicContact CZ2-CB 4.17Å; W70-M118 HydrophobicContact CZ2-CG 3.45Å; W70-M118 VanDerWaalsContact CZ2-CG 3.45Å; W70-M118 HydrophobicContact CZ2-SD 3.91Å; W70-M118 HydrophobicContact CZ3-CG 4.34Å; C99-M118 HydrophobicContact CB-SD 4.06Å; L100-M118 HydrophobicContact CD2-CE 3.92Å; A103-M118 HydrophobicContact CB-CE 3.81Å; A103-M118 HydrophobicContact CB-SD 4.42Å; Y114-M118 VanDerWaalsContact O-CB 3.29Å; Y114-M118 WeakPolarHBondContact O-CB 3.15Å; Y114-M118 PolarHBondContact O-N 2.92Å; Y114-M118 VanDerWaalsContact O-N 3.08Å; L115-M118 HydrophobicContact CD1-CE 3.75Å; L115-M118 WeakPolarHBondContact O-CB 3.41Å; L115-M118 PolarHBondContact O-N 3.06Å; L116-M118 PolarHBondContact O-N 2.91Å; M118-C121 PolarHBondContact O-N 3.23Å; M118-A122 WeakPolarHBondContact O-CB 3.36Å; M118-A122 PolarHBondContact O-N 2.99Å; M118-I151 HydrophobicContact CE-CD1 4.19Å |
| 119 | I | 84.4 | Confident | 74.9 | Confident | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.005 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -67.4 | -44.4 | -178.8 | -66.7 | 164.4 | 0 | 0 | 0 | 110.3 | L115 L116 C121 A122 C123 L162 E164 L165 L168 | L115-I119 HydrophobicContact CD1-CD1 4.03Å; L115-I119 HydrophobicContact CD2-CD1 4.29Å; L115-I119 HydrophobicContact CG-CD1 3.72Å; L115-I119 WeakPolarHBondContact O-CD1 3.07Å; L115-I119 VanDerWaalsContact O-CG1 3.25Å; L115-I119 WeakPolarHBondContact O-CG1 3.21Å; L115-I119 PolarHBondContact O-N 3.09Å; L116-I119 PolarHBondContact O-N 3.38Å; I119-C121 PolarHBondContact O-N 3.13Å; I119-A122 PolarHBondContact O-N 2.83Å; I119-C123 WeakPolarHBondContact O-CB 3.26Å; I119-C123 PolarHBondContact O-N 3.41Å; I119-C123 PolarHBondContact O-SG 3.33Å; I119-L162 HydrophobicContact CD1-CD1 3.92Å; I119-E164 VanDerWaalsContact CG2-C 3.41Å; I119-E164 HydrophobicContact CG2-CB 3.64Å; I119-E164 WeakPolarHBondContact CG2-O 3.17Å; I119-L165 HydrophobicContact CD1-CB 4.02Å; I119-L165 HydrophobicContact CD1-CD1 3.85Å; I119-L165 HydrophobicContact CD1-CD2 4.3Å; I119-L165 HydrophobicContact CD1-CG 4.27Å; I119-L165 HydrophobicContact CG1-CD1 4.23Å; I119-L165 HydrophobicContact CG2-CB 4.38Å; I119-L168 HydrophobicContact CG1-CD2 4.47Å; I119-L168 HydrophobicContact CG2-CB 4.35Å; I119-L168 HydrophobicContact CG2-CD2 4.22Å |
| 120 | E | 82.8 | Confident | 74.1 | Confident | 72 Ų | 72 | 51 Ų | 51 | 34% | 0.336 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -56.5 | -49.7 | 174.5 | -73.6 | 175.7 | 167.1 | 0 | 0 | 110.9 | L116 A122 C123 E124 E164 | L116-E120 HydrophobicContact CD1-CG 3.99Å; L116-E120 HydrophobicContact CG-CG 4.32Å; L116-E120 WeakPolarHBondContact O-CG 3.3Å; L116-E120 PolarHBondContact O-N 3.23Å; E120-A122 VanDerWaalsContact C-N 3.31Å; E120-A122 PolarHBondContact O-N 3.32Å; E120-C123 PolarHBondContact O-N 2.81Å; E120-E124 WeakPolarHBondContact O-CG 3.22Å; E120-E124 PolarHBondContact O-N 2.86Å; E120-E164 HydrophobicContact CG-CG 4.21Å |
| 121 | C | 80.7 | Confident | 73.2 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -57 | -45.2 | 176.2 | -169.8 | 0 | 0 | 0 | 0 | 111.7 | W70 C74 P117 M118 I119 L125 | W70-C121 HydrophobicContact CE3-CB 3.72Å; W70-C121 HydrophobicContact CZ3-CB 4.13Å; C74-C121 WeakPolarHBondContact SG-CB 3.32Å; P117-C121 VanDerWaalsContact O-CB 3.25Å; P117-C121 WeakPolarHBondContact O-CB 3.23Å; P117-C121 PolarHBondContact O-N 2.91Å; M118-C121 PolarHBondContact O-N 3.23Å; I119-C121 PolarHBondContact O-N 3.13Å; C121-L125 VanDerWaalsContact O-CB 3.24Å; C121-L125 WeakPolarHBondContact O-CB 3.3Å; C121-L125 WeakPolarHBondContact O-CD1 3.36Å; C121-L125 WeakPolarHBondContact O-CG 3.45Å; C121-L125 PolarHBondContact O-N 2.86Å |
| 122 | A | 79.3 | Confident | 72.3 | Confident | 5 Ų | 5 | 46.7 Ų | 46.7 | 4% | 0.041 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -65.6 | -39.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | M118 I119 E120 L126 L168 | M118-A122 WeakPolarHBondContact O-CB 3.36Å; M118-A122 PolarHBondContact O-N 2.99Å; I119-A122 PolarHBondContact O-N 2.83Å; E120-A122 VanDerWaalsContact C-N 3.31Å; E120-A122 PolarHBondContact O-N 3.32Å; A122-L126 WeakPolarHBondContact O-CB 3.36Å; A122-L126 VanDerWaalsContact O-CG 3.23Å; A122-L126 WeakPolarHBondContact O-CG 3.37Å; A122-L126 PolarHBondContact O-N 2.82Å; A122-L168 HydrophobicContact CB-CD1 3.98Å; A122-L168 HydrophobicContact CB-CD2 4.19Å |
| 123 | C | 76.8 | Confident | 71.2 | Confident | 11 Ų | 11 | 46.6 Ų | 46.6 | 7% | 0.074 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -64.6 | -48.8 | 175.6 | -79.7 | 0 | 0 | 0 | 0 | 112.1 | I119 E120 L125 L126 N127 E164 | I119-C123 WeakPolarHBondContact O-CB 3.26Å; I119-C123 PolarHBondContact O-N 3.41Å; I119-C123 PolarHBondContact O-SG 3.33Å; E120-C123 PolarHBondContact O-N 2.81Å; C123-L125 VanDerWaalsContact C-N 3.29Å; C123-L125 PolarHBondContact O-N 2.89Å; C123-L126 PolarHBondContact O-N 3.41Å; C123-L126 VanDerWaalsContact O-N 3.15Å; C123-N127 WeakPolarHBondContact O-CB 3.17Å; C123-N127 PolarHBondContact O-N 2.87Å; C123-E164 PolarHBondContact SG-O 3.37Å |
| 124 | E | 73.5 | Confident | 70 | Confident | 110 Ų | 110 | 43 Ų | 43 | 51% | 0.514 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -56.3 | -45.9 | 176.4 | -75 | -175.4 | 162.6 | 0 | 0 | 111.3 | E120 L126 N127 A128 | E120-E124 WeakPolarHBondContact O-CG 3.22Å; E120-E124 PolarHBondContact O-N 2.86Å; E124-L126 VanDerWaalsContact C-N 3.33Å; E124-L126 PolarHBondContact O-N 2.93Å; E124-N127 PolarHBondContact O-N 3.32Å; E124-A128 PolarHBondContact O-N 3.36Å |
| 125 | L | 71.6 | Confident | 68.4 | Low | 6 Ų | 6 | 44 Ų | 44 | 3% | 0.031 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -62.8 | -35.3 | 177.7 | -80 | 175.1 | 0 | 0 | 0 | 113.6 | F77 V87 F92 C121 C123 M131 L133 | F77-L125 HydrophobicContact CB-CD2 4.07Å; F77-L125 HydrophobicContact CD1-CD2 3.7Å; F77-L125 HydrophobicContact CD2-CD1 3.95Å; F77-L125 HydrophobicContact CD2-CD2 3.61Å; F77-L125 HydrophobicContact CD2-CG 3.99Å; F77-L125 HydrophobicContact CE1-CD2 3.93Å; F77-L125 HydrophobicContact CE2-CD1 3.74Å; F77-L125 HydrophobicContact CE2-CD2 3.84Å; F77-L125 HydrophobicContact CE2-CG 4.23Å; F77-L125 HydrophobicContact CG-CD2 3.53Å; F77-L125 HydrophobicContact CG-CG 4.33Å; F77-L125 HydrophobicContact CZ-CD1 4.32Å; F77-L125 HydrophobicContact CZ-CD2 3.98Å; V87-L125 HydrophobicContact CG2-CD2 3.95Å; F92-L125 HydrophobicContact CE1-CD1 3.99Å; F92-L125 HydrophobicContact CZ-CD1 3.67Å; C121-L125 VanDerWaalsContact O-CB 3.24Å; C121-L125 WeakPolarHBondContact O-CB 3.3Å; C121-L125 WeakPolarHBondContact O-CD1 3.36Å; C121-L125 WeakPolarHBondContact O-CG 3.45Å; C121-L125 PolarHBondContact O-N 2.86Å; C123-L125 VanDerWaalsContact C-N 3.29Å; C123-L125 PolarHBondContact O-N 2.89Å; L125-M131 HydrophobicContact CD2-SD 4.45Å; L125-L133 HydrophobicContact CB-CD1 3.66Å; L125-L133 HydrophobicContact CD1-CD2 4.49Å; L125-L133 HydrophobicContact CD2-CD1 4.19Å; L125-L133 HydrophobicContact CG-CD1 4.38Å; L125-L133 WeakPolarHBondContact O-CD1 3.38Å |
| 126 | L | 67.1 | Low | 67.1 | Low | 8 Ų | 8 | 48.8 Ų | 48.8 | 4% | 0.042 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -82.1 | -23.9 | 178.2 | -70 | 171.3 | 0 | 0 | 0 | 113.4 | A122 C123 E124 A128 L133 L168 T171 L172 R175 | A122-L126 WeakPolarHBondContact O-CB 3.36Å; A122-L126 VanDerWaalsContact O-CG 3.23Å; A122-L126 WeakPolarHBondContact O-CG 3.37Å; A122-L126 PolarHBondContact O-N 2.82Å; C123-L126 PolarHBondContact O-N 3.41Å; C123-L126 VanDerWaalsContact O-N 3.15Å; E124-L126 VanDerWaalsContact C-N 3.33Å; E124-L126 PolarHBondContact O-N 2.93Å; L126-A128 VanDerWaalsContact C-N 3.34Å; L126-L133 HydrophobicContact CD2-CB 4.28Å; L126-L168 HydrophobicContact CD1-CD1 3.33Å; L126-T171 HydrophobicContact CB-CG2 3.88Å; L126-T171 HydrophobicContact CD1-CG2 4.16Å; L126-L172 HydrophobicContact CD1-CD2 4.06Å; L126-L172 HydrophobicContact CD1-CG 4.34Å; L126-R175 VanDerWaalsContact CD2-NH1 3.31Å; L126-R175 PolarHBondContact O-NH2 3.36Å |
| 127 | N | 63 | Low | 66.1 | Low | 103 Ų | 103 | 51.7 Ų | 51.7 | 55% | 0.551 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -79.2 | -16.2 | 177 | -77.9 | -20.5 | 0 | 0 | 0 | 113.3 | C123 E124 E129 | C123-N127 WeakPolarHBondContact O-CB 3.17Å; C123-N127 PolarHBondContact O-N 2.87Å; E124-N127 PolarHBondContact O-N 3.32Å; N127-E129 PolarHBondContact O-N 3.39Å |
| 128 | A | 57.8 | Low | 65.4 | Low | 37 Ų | 37 | 53.1 Ų | 53.1 | 31% | 0.306 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -64.6 | 105.8 | 169.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | E124 L126 E130 M131 | E124-A128 PolarHBondContact O-N 3.36Å; L126-A128 VanDerWaalsContact C-N 3.34Å; A128-E130 PolarHBondContact O-N 3.17Å; A128-M131 HydrophobicContact CB-CB 4.5Å; A128-M131 HydrophobicContact CB-CG 3.96Å; A128-M131 HydrophobicContact CB-SD 3.72Å; A128-M131 PolarHBondContact O-N 3.4Å; A128-M131 VanDerWaalsContact O-N 3.12Å |
| 129 | E | 50.6 | Low | 64.7 | Low | 197 Ų | 197 | 56.9 Ų | 56.9 | 92% | 0.921 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.8 | -20.3 | -170.6 | -70.3 | -175 | 151.1 | 0 | 0 | 114.9 | N127 | N127-E129 PolarHBondContact O-N 3.39Š|
| 130 | E | 47.4 | Very low | 64.2 | Low | 142 Ų | 142 | 58.7 Ų | 58.7 | 66% | 0.664 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.8 | 3.2 | -175.5 | -67 | -173.6 | 166.7 | 0 | 0 | 115.5 | K84 A128 P132 | K84-E130 VanDerWaalsContact CE-OE2 3.32Å; K84-E130 WeakPolarHBondContact CE-OE2 3.43Å; K84-E130 IonicContact NZ-OE1 2.74Å; K84-E130 IonicContact NZ-OE2 3.14Å; K84-E130 PolarHBondContact NZ-OE2 2.8Å; A128-E130 PolarHBondContact O-N 3.17Å; E130-P132 WeakPolarHBondContact O-CD 3.23Å |
| 131 | M | 50.1 | Low | 63.9 | Low | 21 Ų | 21 | 55.3 Ų | 55.3 | 10% | 0.103 | 31% | 0.306 | C | S | . | . | trans | -104.3 | 112.3 | -165.5 | -69.5 | -171.2 | 162.9 | 0 | 0 | 116 | V87 L125 A128 L133 R175 | V87-M131 HydrophobicContact CB-CE 4Å; V87-M131 HydrophobicContact CB-SD 4.01Å; V87-M131 HydrophobicContact CG1-CB 4.18Å; V87-M131 HydrophobicContact CG1-CE 4.32Å; V87-M131 HydrophobicContact CG1-CG 4.15Å; V87-M131 HydrophobicContact CG1-SD 3.66Å; V87-M131 HydrophobicContact CG2-CE 3.63Å; V87-M131 HydrophobicContact CG2-SD 3.79Å; L125-M131 HydrophobicContact CD2-SD 4.45Å; A128-M131 HydrophobicContact CB-CB 4.5Å; A128-M131 HydrophobicContact CB-CG 3.96Å; A128-M131 HydrophobicContact CB-SD 3.72Å; A128-M131 PolarHBondContact O-N 3.4Å; A128-M131 VanDerWaalsContact O-N 3.12Å; M131-L133 HydrophobicContact CB-CD1 4.14Å; M131-L133 PolarHBondContact O-N 2.86Å; M131-L133 HydrophobicContact SD-CD1 4.23Å; M131-R175 PolarHBondContact O-NH1 3.17Å; M131-R175 PolarHBondContact O-NH2 3.18Å | ||
| 132 | P | 50.4 | Low | 63.7 | Low | 95 Ų | 95 | 56 Ų | 56 | 62% | 0.617 | 31% | 0.31 | S | S | * | . | trans | -83.7 | 47.5 | 175.1 | 36.1 | -35.1 | 0 | 0 | 0 | 112.2 | E130 L134 G135 | E130-P132 WeakPolarHBondContact O-CD 3.23Å; P132-L134 VanDerWaalsContact C-N 3.33Å; P132-L134 PolarHBondContact O-N 2.99Å; P132-G135 PolarHBondContact O-N 3.41Å | ||
| 133 | L | 55 | Low | 63.8 | Low | 7 Ų | 7 | 58.6 Ų | 58.6 | 4% | 0.037 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.5 | -42.5 | -170.2 | -128.4 | 124.3 | 0 | 0 | 0 | 115.6 | V87 F92 L96 L125 L126 M131 | V87-L133 HydrophobicContact CB-CD1 4.48Å; V87-L133 HydrophobicContact CG1-CB 4.31Å; V87-L133 HydrophobicContact CG1-CD1 3.12Å; V87-L133 HydrophobicContact CG1-CG 3.39Å; F92-L133 HydrophobicContact CD1-CD2 4.4Å; F92-L133 HydrophobicContact CE1-CD2 3.85Å; F92-L133 HydrophobicContact CE1-CG 4.43Å; L96-L133 HydrophobicContact CD2-CD2 3.79Å; L125-L133 HydrophobicContact CB-CD1 3.66Å; L125-L133 HydrophobicContact CD1-CD2 4.49Å; L125-L133 HydrophobicContact CD2-CD1 4.19Å; L125-L133 HydrophobicContact CG-CD1 4.38Å; L125-L133 WeakPolarHBondContact O-CD1 3.38Å; L126-L133 HydrophobicContact CD2-CB 4.28Å; M131-L133 HydrophobicContact CB-CD1 4.14Å; M131-L133 PolarHBondContact O-N 2.86Å; M131-L133 HydrophobicContact SD-CD1 4.23Å |
| 134 | L | 55 | Low | 64.2 | Low | 4 Ų | 4 | 58.1 Ų | 58.1 | 2% | 0.021 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -123.2 | 8.4 | -177.2 | -75.3 | 160.1 | 0 | 0 | 0 | 111.7 | L96 L97 P132 Q140 L141 A144 L172 | L96-L134 HydrophobicContact CD2-CD1 4.15Å; L96-L134 HydrophobicContact CD2-CG 4.47Å; L97-L134 HydrophobicContact CD2-CD2 4.22Å; L97-L134 HydrophobicContact CG-CD2 4.31Å; P132-L134 VanDerWaalsContact C-N 3.33Å; P132-L134 PolarHBondContact O-N 2.99Å; L134-Q140 HydrophobicContact CD2-CB 4.49Å; L134-L141 HydrophobicContact CB-CD2 3.53Å; L134-L141 HydrophobicContact CB-CG 4.15Å; L134-L141 VanDerWaalsContact O-CG 3.27Å; L134-L141 WeakPolarHBondContact O-CG 3.47Å; L134-A144 HydrophobicContact CD1-CB 4.29Å; L134-L172 HydrophobicContact CD1-CD2 3.6Å |
| 135 | G | 51.4 | Low | 64.6 | Low | 26 Ų | 26 | 52.9 Ų | 52.9 | 27% | 0.268 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | -12 | -161.3 | 0 | 0 | 0 | 0 | 0 | 116.8 | P132 | P132-G135 PolarHBondContact O-N 3.41Š|
| 136 | S | 56.3 | Low | 65.1 | Low | 103 Ų | 103 | 54.9 Ų | 54.9 | 72% | 0.72 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.2 | -24.8 | -172.2 | 70.8 | 0 | 0 | 0 | 0 | 113.9 | ||
| 137 | K | 63.8 | Low | 66.1 | Low | 125 Ų | 125 | 55.5 Ų | 55.5 | 54% | 0.543 | 31% | 0.308 | S | S | . | . | trans | -137.5 | 122.2 | -177.1 | -67 | -175.7 | -178.4 | 179 | 0 | 111.3 | S139 Q140 | K137-S139 PolarHBondContact O-N 3Å; K137-S139 VanDerWaalsContact O-N 3.12Å; K137-Q140 HydrophobicContact CB-CG 4.22Å; K137-Q140 WeakPolarHBondContact O-CB 3.43Å; K137-Q140 PolarHBondContact O-N 2.75Å | ||
| 138 | L | 68.9 | Low | 67.2 | Low | 41 Ų | 41 | 50.6 Ų | 50.6 | 22% | 0.215 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -52 | -34.7 | 174.9 | -72.2 | 174.1 | 0 | 0 | 0 | 113.5 | Q140 L141 S142 L179 W183 | L138-Q140 VanDerWaalsContact C-N 3.3Å; L138-Q140 PolarHBondContact O-N 3.44Å; L138-L141 PolarHBondContact O-N 3.46Å; L138-S142 WeakPolarHBondContact O-CB 3.47Å; L138-S142 PolarHBondContact O-N 2.98Å; L138-S142 PolarHBondContact O-OG 3.45Å; L138-L179 HydrophobicContact CD2-CB 4.44Å; L138-L179 HydrophobicContact CD2-CD1 4.3Å; L138-W183 HydrophobicContact CD1-CD2 4.19Å; L138-W183 HydrophobicContact CD1-CE3 4.27Å; L138-W183 HydrophobicContact CD1-CH2 4.11Å; L138-W183 HydrophobicContact CD1-CZ2 4.24Å; L138-W183 HydrophobicContact CD1-CZ3 4.21Å; L138-W183 HydrophobicContact CD2-CD2 4.43Å; L138-W183 HydrophobicContact CD2-CH2 3.39Å; L138-W183 HydrophobicContact CD2-CZ2 3.11Å; L138-W183 HydrophobicContact CD2-CZ3 4.29Å; L138-W183 HydrophobicContact CG-CH2 4.27Å; L138-W183 HydrophobicContact CG-CZ2 4.27Å |
| 139 | S | 72.5 | Confident | 68.3 | Low | 81 Ų | 81 | 48.9 Ų | 48.9 | 57% | 0.566 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -62.7 | -34.4 | 178.2 | 60.8 | 0 | 0 | 0 | 0 | 113.2 | K137 D143 | K137-S139 PolarHBondContact O-N 3Å; K137-S139 VanDerWaalsContact O-N 3.12Å; S139-D143 WeakPolarHBondContact O-CB 3.25Å; S139-D143 PolarHBondContact O-N 3.44Å |
| 140 | Q | 74.7 | Confident | 69.9 | Low | 38 Ų | 38 | 41 Ų | 41 | 18% | 0.178 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -73.5 | -41 | -179.7 | -70.5 | -176.8 | -35.5 | 0 | 0 | 111.4 | L97 L134 K137 L138 D143 A144 | L97-Q140 HydrophobicContact CD1-CB 3.89Å; L97-Q140 HydrophobicContact CD1-CG 3.75Å; L97-Q140 WeakPolarHBondContact CD2-O 3.33Å; L134-Q140 HydrophobicContact CD2-CB 4.49Å; K137-Q140 HydrophobicContact CB-CG 4.22Å; K137-Q140 WeakPolarHBondContact O-CB 3.43Å; K137-Q140 PolarHBondContact O-N 2.75Å; L138-Q140 VanDerWaalsContact C-N 3.3Å; L138-Q140 PolarHBondContact O-N 3.44Å; Q140-D143 PolarHBondContact O-N 3.39Å; Q140-A144 WeakPolarHBondContact O-CB 3.39Å; Q140-A144 PolarHBondContact O-N 2.98Å |
| 141 | L | 76.4 | Confident | 71.6 | Confident | 2 Ų | 2 | 34.4 Ų | 34.4 | 1% | 0.01 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -66.1 | -41 | 174 | -72.5 | 164 | 0 | 0 | 0 | 111.6 | L134 L138 D143 A144 I145 L172 Y176 L179 | L134-L141 HydrophobicContact CB-CD2 3.53Å; L134-L141 HydrophobicContact CB-CG 4.15Å; L134-L141 VanDerWaalsContact O-CG 3.27Å; L134-L141 WeakPolarHBondContact O-CG 3.47Å; L138-L141 PolarHBondContact O-N 3.46Å; L141-D143 VanDerWaalsContact C-N 3.33Å; L141-D143 PolarHBondContact O-N 2.92Å; L141-A144 PolarHBondContact O-N 3.36Å; L141-I145 WeakPolarHBondContact O-CB 3.28Å; L141-I145 WeakPolarHBondContact O-CD1 3.35Å; L141-I145 VanDerWaalsContact O-CG1 3.23Å; L141-I145 WeakPolarHBondContact O-CG1 3.29Å; L141-I145 PolarHBondContact O-N 3.48Å; L141-L172 HydrophobicContact CD2-CD2 4.13Å; L141-Y176 HydrophobicContact CB-CD2 3.72Å; L141-Y176 HydrophobicContact CB-CE2 4.41Å; L141-L179 HydrophobicContact CD1-CD1 3.34Å |
| 142 | S | 76.9 | Confident | 73.1 | Confident | 14 Ų | 14 | 33.6 Ų | 33.6 | 10% | 0.098 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -56.2 | -48.4 | 173 | -86.8 | 0 | 0 | 0 | 0 | 111.4 | L138 I145 E146 Y176 Y192 | L138-S142 WeakPolarHBondContact O-CB 3.47Å; L138-S142 PolarHBondContact O-N 2.98Å; L138-S142 PolarHBondContact O-OG 3.45Å; S142-I145 PolarHBondContact O-N 3.42Å; S142-E146 WeakPolarHBondContact O-CB 3.36Å; S142-E146 PolarHBondContact O-N 2.88Å; S142-Y176 VanDerWaalsContact OG-CE2 3.26Å; S142-Y176 WeakPolarHBondContact OG-CE2 3.37Å; S142-Y176 PolarHBondContact OG-OH 2.82Å; S142-Y192 WeakPolarHBondContact CA-OH 3.41Å; S142-Y192 VanDerWaalsContact CB-CE2 3.42Å; S142-Y192 PolarHBondContact O-OH 3.34Å; S142-Y192 WeakPolarHBondContact OG-CD1 3.47Å; S142-Y192 VanDerWaalsContact OG-CE1 3.32Å; S142-Y192 WeakPolarHBondContact OG-CE1 3.1Å; S142-Y192 WeakPolarHBondContact OG-CE2 3.46Å |
| 143 | D | 81.5 | Confident | 74.3 | Confident | 60 Ų | 60 | 29.6 Ų | 29.6 | 32% | 0.321 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -63.4 | -46 | 178.3 | -162.7 | 10.3 | 0 | 0 | 0 | 111 | L97 S139 Q140 L141 I145 E146 Q147 | L97-D143 HydrophobicContact CD2-CB 4.26Å; S139-D143 WeakPolarHBondContact O-CB 3.25Å; S139-D143 PolarHBondContact O-N 3.44Å; Q140-D143 PolarHBondContact O-N 3.39Å; L141-D143 VanDerWaalsContact C-N 3.33Å; L141-D143 PolarHBondContact O-N 2.92Å; D143-I145 PolarHBondContact O-N 2.79Å; D143-E146 PolarHBondContact O-N 3.28Å; D143-E146 VanDerWaalsContact O-N 3.15Å; D143-Q147 VanDerWaalsContact O-CG 3.31Å; D143-Q147 WeakPolarHBondContact O-CG 3.47Å; D143-Q147 PolarHBondContact O-N 3.23Å; D143-Q147 PolarHBondContact OD1-NE2 3.27Å |
| 144 | A | 83.5 | Confident | 75.4 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -58.6 | -42.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | L97 L100 L134 Q140 L141 S148 L172 | L97-A144 HydrophobicContact CD2-CB 3.83Å; L100-A144 HydrophobicContact CD1-CB 3.99Å; L134-A144 HydrophobicContact CD1-CB 4.29Å; Q140-A144 WeakPolarHBondContact O-CB 3.39Å; Q140-A144 PolarHBondContact O-N 2.98Å; L141-A144 PolarHBondContact O-N 3.36Å; A144-S148 WeakPolarHBondContact O-CB 3.23Å; A144-S148 PolarHBondContact O-N 3.42Å; A144-S148 PolarHBondContact O-OG 2.96Å; A144-L172 HydrophobicContact CB-CD1 4.13Å; A144-L172 HydrophobicContact CB-CD2 4.31Å |
| 145 | I | 83.3 | Confident | 76.5 | Confident | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -64.6 | -44.7 | 176.6 | -68.5 | 164 | 0 | 0 | 0 | 110.2 | L141 S142 D143 S148 L149 L172 V173 Y176 L197 | L141-I145 WeakPolarHBondContact O-CB 3.28Å; L141-I145 WeakPolarHBondContact O-CD1 3.35Å; L141-I145 VanDerWaalsContact O-CG1 3.23Å; L141-I145 WeakPolarHBondContact O-CG1 3.29Å; L141-I145 PolarHBondContact O-N 3.48Å; S142-I145 PolarHBondContact O-N 3.42Å; D143-I145 PolarHBondContact O-N 2.79Å; I145-S148 PolarHBondContact O-N 2.92Å; I145-L149 HydrophobicContact CG2-CD1 3.84Å; I145-L149 HydrophobicContact CG2-CG 4.43Å; I145-L149 WeakPolarHBondContact O-CB 3.4Å; I145-L149 WeakPolarHBondContact O-CG 3.44Å; I145-L149 PolarHBondContact O-N 3.37Å; I145-L172 HydrophobicContact CG1-CB 3.8Å; I145-V173 HydrophobicContact CD1-CG2 4.11Å; I145-V173 HydrophobicContact CG1-CG2 4.24Å; I145-V173 HydrophobicContact CG2-CG2 4.21Å; I145-Y176 HydrophobicContact CD1-CD2 3.81Å; I145-Y176 HydrophobicContact CD1-CE2 4.45Å; I145-Y176 HydrophobicContact CD1-CG 3.98Å; I145-L197 HydrophobicContact CG2-CD2 3.82Å |
| 146 | E | 82.3 | Confident | 77.4 | Confident | 49 Ų | 49 | 30.7 Ų | 30.7 | 23% | 0.229 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -63.2 | -46.3 | -179.5 | -172.8 | 172.8 | 176.6 | 0 | 0 | 111.7 | S142 D143 L149 T150 H196 L200 | S142-E146 WeakPolarHBondContact O-CB 3.36Å; S142-E146 PolarHBondContact O-N 2.88Å; D143-E146 PolarHBondContact O-N 3.28Å; D143-E146 VanDerWaalsContact O-N 3.15Å; E146-L149 PolarHBondContact O-N 3.13Å; E146-T150 PolarHBondContact O-N 3.31Å; E146-T150 PolarHBondContact O-OG1 3.02Å; E146-H196 IonicContact OE1-CG 3.51Å; E146-H196 IonicContact OE1-ND1 2.66Å; E146-H196 PolarHBondContact OE1-ND1 3.22Å; E146-H196 IonicContact OE2-CE1 3.8Å; E146-H196 IonicContact OE2-CG 2.7Å; E146-H196 IonicContact OE2-ND1 3.93Å; E146-H196 PolarHBondContact OE2-ND1 3.31Å; E146-H196 VanDerWaalsContact OE2-ND1 3.13Å; E146-L200 HydrophobicContact CG-CD1 3.71Å |
| 147 | Q | 87.2 | Confident | 78.1 | Confident | 20 Ų | 20 | 29.1 Ų | 29.1 | 9% | 0.093 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -65.8 | -44.2 | 176.6 | -58.5 | -43.4 | -38.1 | 0 | 0 | 111.4 | L100 H101 A104 D143 L149 T150 I151 | L100-Q147 HydrophobicContact CB-CB 3.83Å; L100-Q147 HydrophobicContact CB-CG 4.28Å; H101-Q147 HydrophobicContact CB-CG 4.37Å; H101-Q147 PolarHBondContact ND1-NE2 3.31Å; H101-Q147 PolarHBondContact ND1-OE1 3.35Å; A104-Q147 HydrophobicContact CB-CB 4.12Å; D143-Q147 VanDerWaalsContact O-CG 3.31Å; D143-Q147 WeakPolarHBondContact O-CG 3.47Å; D143-Q147 PolarHBondContact O-N 3.23Å; D143-Q147 PolarHBondContact OD1-NE2 3.27Å; Q147-L149 VanDerWaalsContact C-N 3.32Å; Q147-L149 PolarHBondContact O-N 2.81Å; Q147-T150 WeakPolarHBondContact O-CB 3.19Å; Q147-T150 PolarHBondContact O-N 3.38Å; Q147-T150 VanDerWaalsContact O-N 3.13Å; Q147-I151 VanDerWaalsContact O-CG1 3.28Å; Q147-I151 WeakPolarHBondContact O-CG1 3.47Å; Q147-I151 PolarHBondContact O-N 3.46Å |
| 148 | S | 86 | Confident | 78.5 | Confident | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -63.6 | -37.5 | 179.3 | -57.6 | 0 | 0 | 0 | 0 | 112.1 | A144 I145 I151 W152 L169 | A144-S148 WeakPolarHBondContact O-CB 3.23Å; A144-S148 PolarHBondContact O-N 3.42Å; A144-S148 PolarHBondContact O-OG 2.96Å; I145-S148 PolarHBondContact O-N 2.92Å; S148-I151 PolarHBondContact O-N 3.1Å; S148-W152 WeakPolarHBondContact O-CB 3.37Å; S148-W152 PolarHBondContact O-N 3.02Å; S148-L169 VanDerWaalsContact CB-CD2 3.45Å |
| 149 | L | 81.6 | Confident | 78.4 | Confident | 2 Ų | 2 | 27.4 Ų | 27.4 | 1% | 0.01 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -66.9 | -39.4 | 173.7 | -79.4 | 169 | 0 | 0 | 0 | 111.6 | I145 E146 Q147 W152 L153 L169 L197 M201 I217 | I145-L149 HydrophobicContact CG2-CD1 3.84Å; I145-L149 HydrophobicContact CG2-CG 4.43Å; I145-L149 WeakPolarHBondContact O-CB 3.4Å; I145-L149 WeakPolarHBondContact O-CG 3.44Å; I145-L149 PolarHBondContact O-N 3.37Å; E146-L149 PolarHBondContact O-N 3.13Å; Q147-L149 VanDerWaalsContact C-N 3.32Å; Q147-L149 PolarHBondContact O-N 2.81Å; L149-W152 HydrophobicContact CD2-CE3 4.49Å; L149-W152 PolarHBondContact O-N 2.97Å; L149-L153 WeakPolarHBondContact O-CB 3.31Å; L149-L153 VanDerWaalsContact O-CG 3.25Å; L149-L153 WeakPolarHBondContact O-CG 3.42Å; L149-L153 PolarHBondContact O-N 3.33Å; L149-L169 HydrophobicContact CD2-CD1 4.17Å; L149-L169 HydrophobicContact CD2-CD2 3.93Å; L149-L169 HydrophobicContact CG-CD2 3.72Å; L149-L197 HydrophobicContact CD1-CD2 3.47Å; L149-L197 VanDerWaalsContact CD1-CD2 3.47Å; L149-M201 HydrophobicContact CD2-SD 3.83Å; L149-I217 HydrophobicContact CD2-CG2 4.4Å |
| 150 | T | 83.2 | Confident | 78.3 | Confident | 30 Ų | 30 | 27.2 Ų | 27.2 | 18% | 0.184 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -63.7 | -43.5 | 176.1 | -56.5 | 0 | 0 | 0 | 0 | 111.2 | A104 E146 Q147 W152 L153 N154 | A104-T150 HydrophobicContact CB-CG2 3.95Å; E146-T150 PolarHBondContact O-N 3.31Å; E146-T150 PolarHBondContact O-OG1 3.02Å; Q147-T150 WeakPolarHBondContact O-CB 3.19Å; Q147-T150 PolarHBondContact O-N 3.38Å; Q147-T150 VanDerWaalsContact O-N 3.13Å; T150-W152 VanDerWaalsContact C-N 3.31Å; T150-W152 PolarHBondContact O-N 2.9Å; T150-L153 PolarHBondContact O-N 3.02Å; T150-N154 PolarHBondContact O-N 3.36Å; T150-N154 PolarHBondContact O-ND2 2.8Å; T150-N154 PolarHBondContact O-OD1 3.31Å |
| 151 | I | 84.3 | Confident | 77.9 | Confident | 4 Ų | 4 | 28.9 Ų | 28.9 | 2% | 0.021 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -58.1 | -46.8 | 172.6 | -66.8 | 166.3 | 0 | 0 | 0 | 110.3 | L100 A103 A104 L115 M118 Q147 S148 L153 N154 C155 L165 | L100-I151 HydrophobicContact CD2-CD1 3.97Å; A103-I151 HydrophobicContact CB-CD1 3.69Å; A103-I151 HydrophobicContact CB-CG1 4.1Å; A104-I151 HydrophobicContact CB-CG1 4.07Å; L115-I151 HydrophobicContact CD1-CD1 4.38Å; L115-I151 HydrophobicContact CD1-CG2 3.59Å; L115-I151 HydrophobicContact CD2-CG2 3.85Å; L115-I151 HydrophobicContact CG-CG2 4.28Å; M118-I151 HydrophobicContact CE-CD1 4.19Å; Q147-I151 VanDerWaalsContact O-CG1 3.28Å; Q147-I151 WeakPolarHBondContact O-CG1 3.47Å; Q147-I151 PolarHBondContact O-N 3.46Å; S148-I151 PolarHBondContact O-N 3.1Å; I151-L153 PolarHBondContact O-N 2.84Å; I151-N154 WeakPolarHBondContact O-CB 3.2Å; I151-N154 PolarHBondContact O-N 3.16Å; I151-C155 PolarHBondContact O-N 3.43Å; I151-C155 PolarHBondContact O-SG 3.32Å; I151-L165 HydrophobicContact CB-CD2 4.44Å; I151-L165 HydrophobicContact CG2-CD1 4.4Å; I151-L165 HydrophobicContact CG2-CD2 3.75Å |
| 152 | W | 80.5 | Confident | 77.6 | Confident | 5 Ų | 5 | 30.5 Ų | 30.5 | 2% | 0.019 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -62.4 | -42.7 | -179.4 | -179.5 | 76.4 | 0 | 0 | 0 | 112.3 | S148 L149 T150 N154 C155 L156 L165 L169 M201 V213 | S148-W152 WeakPolarHBondContact O-CB 3.37Å; S148-W152 PolarHBondContact O-N 3.02Å; L149-W152 HydrophobicContact CD2-CE3 4.49Å; L149-W152 PolarHBondContact O-N 2.97Å; T150-W152 VanDerWaalsContact C-N 3.31Å; T150-W152 PolarHBondContact O-N 2.9Å; W152-N154 VanDerWaalsContact C-N 3.33Å; W152-N154 PolarHBondContact O-N 3.24Å; W152-C155 PolarHBondContact O-N 3.08Å; W152-L156 HydrophobicContact CD2-CD1 3.91Å; W152-L156 HydrophobicContact CD2-CG 4.27Å; W152-L156 HydrophobicContact CE3-CD1 3.84Å; W152-L156 HydrophobicContact CH2-CD1 3.23Å; W152-L156 HydrophobicContact CH2-CG 4.38Å; W152-L156 HydrophobicContact CZ2-CD1 3.35Å; W152-L156 HydrophobicContact CZ2-CD2 4.38Å; W152-L156 HydrophobicContact CZ2-CG 4.07Å; W152-L156 HydrophobicContact CZ3-CD1 3.52Å; W152-L156 PolarHBondContact O-N 2.96Å; W152-L165 HydrophobicContact CB-CD2 3.65Å; W152-L165 HydrophobicContact CB-CG 4.2Å; W152-L165 HydrophobicContact CG-CD2 4.27Å; W152-L169 HydrophobicContact CB-CD1 3.87Å; W152-L169 HydrophobicContact CG-CD1 3.98Å; W152-M201 HydrophobicContact CZ3-CE 4.27Å; W152-M201 HydrophobicContact CZ3-SD 4.37Å; W152-V213 HydrophobicContact CH2-CB 4.29Å; W152-V213 HydrophobicContact CH2-CG1 3.82Å; W152-V213 HydrophobicContact CH2-CG2 4.29Å |
| 153 | L | 75.7 | Confident | 77.6 | Confident | 11 Ų | 11 | 34.8 Ų | 34.8 | 6% | 0.058 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -59.3 | -42.4 | 172.7 | -73.4 | 169.2 | 0 | 0 | 0 | 112.4 | L149 T150 I151 C155 L156 S157 L200 I207 | L149-L153 WeakPolarHBondContact O-CB 3.31Å; L149-L153 VanDerWaalsContact O-CG 3.25Å; L149-L153 WeakPolarHBondContact O-CG 3.42Å; L149-L153 PolarHBondContact O-N 3.33Å; T150-L153 PolarHBondContact O-N 3.02Å; I151-L153 PolarHBondContact O-N 2.84Å; L153-C155 VanDerWaalsContact C-N 3.31Å; L153-L156 PolarHBondContact O-N 2.8Å; L153-S157 PolarHBondContact O-N 3.26Å; L153-S157 PolarHBondContact O-OG 2.81Å; L153-L200 HydrophobicContact CD1-CB 4Å; L153-L200 HydrophobicContact CD1-CD2 3.87Å; L153-L200 VanDerWaalsContact CD1-O 3.31Å; L153-L200 WeakPolarHBondContact CD1-O 3.4Å; L153-I207 HydrophobicContact CD2-CD1 4.35Å |
| 154 | N | 78.2 | Confident | 77.4 | Confident | 43 Ų | 43 | 35 Ų | 35 | 23% | 0.23 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -66.5 | -33.5 | 177 | -67.2 | -16.1 | 0 | 0 | 0 | 111.9 | A104 T150 I151 W152 S157 R158 | A104-N154 PolarHBondContact O-ND2 3.08Å; T150-N154 PolarHBondContact O-N 3.36Å; T150-N154 PolarHBondContact O-ND2 2.8Å; T150-N154 PolarHBondContact O-OD1 3.31Å; I151-N154 WeakPolarHBondContact O-CB 3.2Å; I151-N154 PolarHBondContact O-N 3.16Å; W152-N154 VanDerWaalsContact C-N 3.33Å; W152-N154 PolarHBondContact O-N 3.24Å; N154-S157 PolarHBondContact O-OG 3.38Å; N154-R158 WeakPolarHBondContact O-CD 3.36Å; N154-R158 WeakPolarHBondContact O-CG 3.43Å |
| 155 | C | 77.2 | Confident | 77.3 | Confident | 2 Ų | 2 | 35 Ų | 35 | 1% | 0.014 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -71.3 | -44.9 | 174 | -61.7 | 0 | 0 | 0 | 0 | 111 | I151 W152 L153 S157 R158 G159 E160 | I151-C155 PolarHBondContact O-N 3.43Å; I151-C155 PolarHBondContact O-SG 3.32Å; W152-C155 PolarHBondContact O-N 3.08Å; L153-C155 VanDerWaalsContact C-N 3.31Å; C155-S157 VanDerWaalsContact C-N 3.32Å; C155-S157 PolarHBondContact O-N 2.95Å; C155-R158 CarbonylContact O-C 3.57Å; C155-R158 WeakPolarHBondContact O-CA 3.34Å; C155-R158 WeakPolarHBondContact O-CB 3.36Å; C155-R158 PolarHBondContact O-N 2.93Å; C155-G159 PolarHBondContact O-N 2.79Å; C155-E160 CarbonylContact C-O 3.48Å; C155-E160 VanDerWaalsContact C-O 3.24Å; C155-E160 HydrophobicContact CB-CB 4.4Å; C155-E160 WeakPolarHBondContact CB-O 3.28Å; C155-E160 PolarHBondContact O-N 3.08Å |
| 156 | L | 72.1 | Confident | 76.9 | Confident | 14 Ų | 14 | 37.2 Ų | 37.2 | 7% | 0.073 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -60.5 | -38.7 | 177.7 | -80.8 | -175.2 | 0 | 0 | 0 | 113.1 | W152 L153 R158 G159 I207 | W152-L156 HydrophobicContact CD2-CD1 3.91Å; W152-L156 HydrophobicContact CD2-CG 4.27Å; W152-L156 HydrophobicContact CE3-CD1 3.84Å; W152-L156 HydrophobicContact CH2-CD1 3.23Å; W152-L156 HydrophobicContact CH2-CG 4.38Å; W152-L156 HydrophobicContact CZ2-CD1 3.35Å; W152-L156 HydrophobicContact CZ2-CD2 4.38Å; W152-L156 HydrophobicContact CZ2-CG 4.07Å; W152-L156 HydrophobicContact CZ3-CD1 3.52Å; W152-L156 PolarHBondContact O-N 2.96Å; L153-L156 PolarHBondContact O-N 2.8Å; L156-R158 PolarHBondContact O-N 2.87Å; L156-G159 PolarHBondContact O-N 3.13Å; L156-I207 HydrophobicContact CB-CG2 4.41Å |
| 157 | S | 70.4 | Confident | 76.6 | Confident | 70 Ų | 70 | 38.8 Ų | 38.8 | 49% | 0.49 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -16.1 | 176.5 | 65.4 | 0 | 0 | 0 | 0 | 113.9 | L153 N154 C155 | L153-S157 PolarHBondContact O-N 3.26Å; L153-S157 PolarHBondContact O-OG 2.81Å; N154-S157 PolarHBondContact O-OG 3.38Å; C155-S157 VanDerWaalsContact C-N 3.32Å; C155-S157 PolarHBondContact O-N 2.95Å |
| 158 | R | 71.3 | Confident | 76.3 | Confident | 66 Ų | 66 | 38 Ų | 38 | 25% | 0.249 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.9 | -1.2 | 173.2 | -60.7 | 170.2 | -174.2 | 154.3 | 5.4 | 112.8 | A106 S108 T111 N154 C155 L156 E160 | A106-R158 PolarHBondContact O-NH2 3.03Å; S108-R158 PolarHBondContact O-NH2 3.37Å; T111-R158 WeakPolarHBondContact OG1-CD 3.35Å; T111-R158 PolarHBondContact OG1-NH1 2.82Å; T111-R158 VanDerWaalsContact OG1-NH1 3.07Å; N154-R158 WeakPolarHBondContact O-CD 3.36Å; N154-R158 WeakPolarHBondContact O-CG 3.43Å; C155-R158 CarbonylContact O-C 3.57Å; C155-R158 WeakPolarHBondContact O-CA 3.34Å; C155-R158 WeakPolarHBondContact O-CB 3.36Å; C155-R158 PolarHBondContact O-N 2.93Å; L156-R158 PolarHBondContact O-N 2.87Å; R158-E160 VanDerWaalsContact C-N 3.31Å; R158-E160 HydrophobicContact CB-CG 4.28Å |
| 159 | G | 66.9 | Low | 75.9 | Confident | 65 Ų | 65 | 38 Ų | 38 | 67% | 0.67 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 74.8 | 17.9 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | C155 L156 | C155-G159 PolarHBondContact O-N 2.79Å; L156-G159 PolarHBondContact O-N 3.13Å |
| 160 | E | 70.7 | Confident | 75.5 | Confident | 76 Ų | 76 | 38.3 Ų | 38.3 | 36% | 0.355 | 22% | 0.22 | S | C | . | . | trans | -103.8 | 133 | -178.4 | -62.7 | 176.1 | -173 | 0 | 0 | 110.2 | T111 C155 R158 | T111-E160 WeakPolarHBondContact CB-OE2 3.47Å; T111-E160 PolarHBondContact OG1-OE2 3.07Å; C155-E160 CarbonylContact C-O 3.48Å; C155-E160 VanDerWaalsContact C-O 3.24Å; C155-E160 HydrophobicContact CB-CB 4.4Å; C155-E160 WeakPolarHBondContact CB-O 3.28Å; C155-E160 PolarHBondContact O-N 3.08Å; R158-E160 VanDerWaalsContact C-N 3.31Å; R158-E160 HydrophobicContact CB-CG 4.28Å | ||
| 161 | C | 66.8 | Low | 75.1 | Confident | 74 Ų | 74 | 37.8 Ų | 37.8 | 50% | 0.5 | 22% | 0.216 | S | C | . | . | trans | -126.4 | 104.3 | 176.5 | -165.3 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 162 | L | 70.5 | Confident | 74.8 | Confident | 35 Ų | 35 | 37.6 Ų | 37.6 | 18% | 0.183 | 22% | 0.216 | C | C | . | . | trans | -87 | 111.6 | 174.9 | -61.4 | 176.1 | 0 | 0 | 0 | 108.8 | L115 L116 I119 E164 L165 E166 | L115-L162 HydrophobicContact CD2-CD1 3.91Å; L115-L162 HydrophobicContact CG-CD1 4.37Å; L116-L162 HydrophobicContact CD1-CD2 4.38Å; I119-L162 HydrophobicContact CD1-CD1 3.92Å; L162-E164 PolarHBondContact O-N 3.16Å; L162-L165 HydrophobicContact CB-CB 4.04Å; L162-L165 WeakPolarHBondContact O-CB 3.35Å; L162-L165 PolarHBondContact O-N 2.79Å; L162-E166 PolarHBondContact O-N 3.42Å | ||
| 163 | N | 76.7 | Confident | 74.6 | Confident | 105 Ų | 105 | 37.6 Ų | 37.6 | 56% | 0.561 | 22% | 0.216 | S | C | * | . | H | α-helix | trans | -57.6 | -35.9 | 179.6 | -68.7 | -26.9 | 0 | 0 | 0 | 111.5 | L165 E166 I167 | N163-L165 PolarHBondContact O-N 2.78Å; N163-E166 WeakPolarHBondContact O-CB 3.3Å; N163-E166 PolarHBondContact O-N 3.2Å; N163-E166 VanDerWaalsContact O-N 3.16Å; N163-I167 WeakPolarHBondContact O-CG1 3.38Å; N163-I167 PolarHBondContact O-N 3.36Å |
| 164 | E | 77.6 | Confident | 74.5 | Confident | 64 Ų | 64 | 41.4 Ų | 41.4 | 30% | 0.299 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -63.5 | -31.7 | 178.5 | -62.3 | 70.3 | -155.5 | 0 | 0 | 111.5 | L116 I119 E120 C123 L162 I167 L168 | L116-E164 HydrophobicContact CD1-CG 4.43Å; I119-E164 VanDerWaalsContact CG2-C 3.41Å; I119-E164 HydrophobicContact CG2-CB 3.64Å; I119-E164 WeakPolarHBondContact CG2-O 3.17Å; E120-E164 HydrophobicContact CG-CG 4.21Å; C123-E164 PolarHBondContact SG-O 3.37Å; L162-E164 PolarHBondContact O-N 3.16Å; E164-I167 PolarHBondContact O-N 3.18Å; E164-L168 WeakPolarHBondContact O-CB 3.48Å; E164-L168 PolarHBondContact O-N 3.11Å |
| 165 | L | 80.2 | Confident | 74.2 | Confident | 1 Ų | 1 | 42.1 Ų | 42.1 | 1% | 0.005 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -70.8 | -37 | 176.3 | -172.5 | 52.7 | 0 | 0 | 0 | 111.4 | I119 I151 W152 L162 N163 L168 L169 | I119-L165 HydrophobicContact CD1-CB 4.02Å; I119-L165 HydrophobicContact CD1-CD1 3.85Å; I119-L165 HydrophobicContact CD1-CD2 4.3Å; I119-L165 HydrophobicContact CD1-CG 4.27Å; I119-L165 HydrophobicContact CG1-CD1 4.23Å; I119-L165 HydrophobicContact CG2-CB 4.38Å; I151-L165 HydrophobicContact CB-CD2 4.44Å; I151-L165 HydrophobicContact CG2-CD1 4.4Å; I151-L165 HydrophobicContact CG2-CD2 3.75Å; W152-L165 HydrophobicContact CB-CD2 3.65Å; W152-L165 HydrophobicContact CB-CG 4.2Å; W152-L165 HydrophobicContact CG-CD2 4.27Å; L162-L165 HydrophobicContact CB-CB 4.04Å; L162-L165 WeakPolarHBondContact O-CB 3.35Å; L162-L165 PolarHBondContact O-N 2.79Å; N163-L165 PolarHBondContact O-N 2.78Å; L165-L168 HydrophobicContact CD1-CD2 4.31Å; L165-L168 PolarHBondContact O-N 3.39Å; L165-L169 HydrophobicContact CG-CD1 4.29Å; L165-L169 WeakPolarHBondContact O-CB 3.38Å; L165-L169 WeakPolarHBondContact O-CG 3.46Å; L165-L169 PolarHBondContact O-N 3.37Å |
| 166 | E | 75.9 | Confident | 74 | Confident | 45 Ų | 45 | 42.2 Ų | 42.2 | 21% | 0.21 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -67 | -39.4 | 173.9 | -176.1 | 169.4 | -168.9 | 0 | 0 | 111.3 | L162 N163 L169 T170 G214 I217 | L162-E166 PolarHBondContact O-N 3.42Å; N163-E166 WeakPolarHBondContact O-CB 3.3Å; N163-E166 PolarHBondContact O-N 3.2Å; N163-E166 VanDerWaalsContact O-N 3.16Å; E166-L169 PolarHBondContact O-N 2.91Å; E166-T170 WeakPolarHBondContact O-CB 3.22Å; E166-T170 PolarHBondContact O-N 3.11Å; E166-T170 PolarHBondContact O-OG1 2.93Å; E166-G214 WeakPolarHBondContact OE1-CA 3.21Å; E166-I217 HydrophobicContact CG-CD1 4.02Å; E166-I217 HydrophobicContact CG-CG1 4.37Å |
| 167 | I | 76.3 | Confident | 73.8 | Confident | 82 Ų | 82 | 42.2 Ų | 42.2 | 42% | 0.421 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -61.5 | -46.5 | 172.5 | -65.7 | 168.1 | 0 | 0 | 0 | 110.4 | N163 E164 T170 T171 | N163-I167 WeakPolarHBondContact O-CG1 3.38Å; N163-I167 PolarHBondContact O-N 3.36Å; E164-I167 PolarHBondContact O-N 3.18Å; I167-T170 PolarHBondContact O-N 3.3Å; I167-T171 VanDerWaalsContact O-CB 3.31Å; I167-T171 WeakPolarHBondContact O-CB 3.33Å; I167-T171 PolarHBondContact O-N 2.69Å; I167-T171 PolarHBondContact O-OG1 3.37Å |
| 168 | L | 79.8 | Confident | 73.6 | Confident | 4 Ų | 4 | 42.7 Ų | 42.7 | 2% | 0.021 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -59.2 | -52.1 | 177.4 | 179.2 | 57.9 | 0 | 0 | 0 | 111.1 | I119 A122 L126 E164 L165 T170 T171 L172 | I119-L168 HydrophobicContact CG1-CD2 4.47Å; I119-L168 HydrophobicContact CG2-CB 4.35Å; I119-L168 HydrophobicContact CG2-CD2 4.22Å; A122-L168 HydrophobicContact CB-CD1 3.98Å; A122-L168 HydrophobicContact CB-CD2 4.19Å; L126-L168 HydrophobicContact CD1-CD1 3.33Å; E164-L168 WeakPolarHBondContact O-CB 3.48Å; E164-L168 PolarHBondContact O-N 3.11Å; L165-L168 HydrophobicContact CD1-CD2 4.31Å; L165-L168 PolarHBondContact O-N 3.39Å; L168-T170 PolarHBondContact O-N 3.03Å; L168-T171 PolarHBondContact O-N 2.87Å; L168-L172 HydrophobicContact CD1-CD1 4.05Å; L168-L172 HydrophobicContact CD1-CG 4.08Å; L168-L172 HydrophobicContact CG-CD1 4.01Å; L168-L172 HydrophobicContact CG-CG 4.44Å; L168-L172 WeakPolarHBondContact O-CB 3.18Å; L168-L172 VanDerWaalsContact O-CG 3.29Å; L168-L172 WeakPolarHBondContact O-CG 3.5Å; L168-L172 PolarHBondContact O-N 3.09Å |
| 169 | L | 78.5 | Confident | 73.2 | Confident | 1 Ų | 1 | 41.3 Ų | 41.3 | 1% | 0.005 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -57.8 | -48.3 | 178.4 | -82.3 | 168.2 | 0 | 0 | 0 | 111.7 | S148 L149 W152 L165 E166 T171 L172 V173 I217 | S148-L169 VanDerWaalsContact CB-CD2 3.45Å; L149-L169 HydrophobicContact CD2-CD1 4.17Å; L149-L169 HydrophobicContact CD2-CD2 3.93Å; L149-L169 HydrophobicContact CG-CD2 3.72Å; W152-L169 HydrophobicContact CB-CD1 3.87Å; W152-L169 HydrophobicContact CG-CD1 3.98Å; L165-L169 HydrophobicContact CG-CD1 4.29Å; L165-L169 WeakPolarHBondContact O-CB 3.38Å; L165-L169 WeakPolarHBondContact O-CG 3.46Å; L165-L169 PolarHBondContact O-N 3.37Å; E166-L169 PolarHBondContact O-N 2.91Å; L169-T171 VanDerWaalsContact C-N 3.32Å; L169-T171 PolarHBondContact O-N 3.24Å; L169-L172 PolarHBondContact O-N 3.5Å; L169-V173 VanDerWaalsContact O-CG2 3.3Å; L169-V173 WeakPolarHBondContact O-CG2 3.33Å; L169-V173 PolarHBondContact O-N 3.03Å; L169-I217 HydrophobicContact CB-CD1 4.09Å; L169-I217 HydrophobicContact CB-CG1 4.35Å; L169-I217 HydrophobicContact CD1-CD1 3.8Å |
| 170 | T | 73.5 | Confident | 72.6 | Confident | 8 Ų | 8 | 45.4 Ų | 45.4 | 5% | 0.049 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -57.1 | -47.4 | 176.8 | -70 | 0 | 0 | 0 | 0 | 111.1 | E166 I167 L168 V173 Q174 Q216 L220 | E166-T170 WeakPolarHBondContact O-CB 3.22Å; E166-T170 PolarHBondContact O-N 3.11Å; E166-T170 PolarHBondContact O-OG1 2.93Å; I167-T170 PolarHBondContact O-N 3.3Å; L168-T170 PolarHBondContact O-N 3.03Å; T170-V173 PolarHBondContact O-N 2.93Å; T170-Q174 HydrophobicContact CG2-CG 4.45Å; T170-Q174 WeakPolarHBondContact O-CB 3.22Å; T170-Q174 VanDerWaalsContact O-CG 3.24Å; T170-Q174 WeakPolarHBondContact O-CG 3.38Å; T170-Q174 PolarHBondContact O-N 3.43Å; T170-Q216 HydrophobicContact CG2-CG 4.2Å; T170-L220 HydrophobicContact CG2-CD1 3.85Å |
| 171 | T | 75 | Confident | 71.8 | Confident | 18 Ų | 18 | 47.6 Ų | 47.6 | 11% | 0.11 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -66.1 | -42.7 | -179.1 | -55.4 | 0 | 0 | 0 | 0 | 111.8 | L126 I167 L168 L169 Q174 R175 | L126-T171 HydrophobicContact CB-CG2 3.88Å; L126-T171 HydrophobicContact CD1-CG2 4.16Å; I167-T171 VanDerWaalsContact O-CB 3.31Å; I167-T171 WeakPolarHBondContact O-CB 3.33Å; I167-T171 PolarHBondContact O-N 2.69Å; I167-T171 PolarHBondContact O-OG1 3.37Å; L168-T171 PolarHBondContact O-N 2.87Å; L169-T171 VanDerWaalsContact C-N 3.32Å; L169-T171 PolarHBondContact O-N 3.24Å; T171-Q174 PolarHBondContact O-N 2.84Å; T171-R175 WeakPolarHBondContact O-CB 3.27Å; T171-R175 WeakPolarHBondContact O-CG 3.4Å; T171-R175 PolarHBondContact O-N 3.22Å |
| 172 | L | 78.1 | Confident | 70.9 | Confident | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.005 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -62.5 | -45.4 | 176.8 | -73 | 174.7 | 0 | 0 | 0 | 111.5 | L126 L134 L141 A144 I145 L168 L169 R175 Y176 | L126-L172 HydrophobicContact CD1-CD2 4.06Å; L126-L172 HydrophobicContact CD1-CG 4.34Å; L134-L172 HydrophobicContact CD1-CD2 3.6Å; L141-L172 HydrophobicContact CD2-CD2 4.13Å; A144-L172 HydrophobicContact CB-CD1 4.13Å; A144-L172 HydrophobicContact CB-CD2 4.31Å; I145-L172 HydrophobicContact CG1-CB 3.8Å; L168-L172 HydrophobicContact CD1-CD1 4.05Å; L168-L172 HydrophobicContact CD1-CG 4.08Å; L168-L172 HydrophobicContact CG-CD1 4.01Å; L168-L172 HydrophobicContact CG-CG 4.44Å; L168-L172 WeakPolarHBondContact O-CB 3.18Å; L168-L172 VanDerWaalsContact O-CG 3.29Å; L168-L172 WeakPolarHBondContact O-CG 3.5Å; L168-L172 PolarHBondContact O-N 3.09Å; L169-L172 PolarHBondContact O-N 3.5Å; L172-R175 PolarHBondContact O-N 2.9Å; L172-Y176 WeakPolarHBondContact O-CB 3.08Å; L172-Y176 PolarHBondContact O-N 3.46Å |
| 173 | V | 74.5 | Confident | 70.2 | Confident | 4 Ų | 4 | 50.8 Ų | 50.8 | 2% | 0.024 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -69.5 | -39.9 | 179.1 | -178.3 | 0 | 0 | 0 | 0 | 111.4 | I145 L169 T170 R175 Y176 L177 L220 L224 | I145-V173 HydrophobicContact CD1-CG2 4.11Å; I145-V173 HydrophobicContact CG1-CG2 4.24Å; I145-V173 HydrophobicContact CG2-CG2 4.21Å; L169-V173 VanDerWaalsContact O-CG2 3.3Å; L169-V173 WeakPolarHBondContact O-CG2 3.33Å; L169-V173 PolarHBondContact O-N 3.03Å; T170-V173 PolarHBondContact O-N 2.93Å; V173-R175 PolarHBondContact O-N 3.24Å; V173-Y176 WeakPolarHBondContact O-CB 3.32Å; V173-Y176 PolarHBondContact O-N 2.94Å; V173-L177 HydrophobicContact CG1-CD1 4.03Å; V173-L177 HydrophobicContact CG1-CG 4.37Å; V173-L177 WeakPolarHBondContact O-CB 3.41Å; V173-L177 VanDerWaalsContact O-CG 3.31Å; V173-L177 WeakPolarHBondContact O-CG 3.27Å; V173-L177 PolarHBondContact O-N 2.78Å; V173-L220 HydrophobicContact CB-CB 4.18Å; V173-L220 HydrophobicContact CB-CD1 4.33Å; V173-L220 HydrophobicContact CG1-CB 3.59Å; V173-L220 HydrophobicContact CG1-CD2 4.47Å; V173-L220 HydrophobicContact CG1-CG 4.42Å; V173-L224 HydrophobicContact CG1-CD1 3.67Å; V173-L224 HydrophobicContact CG1-CD2 4.3Å; V173-L224 HydrophobicContact CG1-CG 3.9Å |
| 174 | Q | 73.8 | Confident | 68.7 | Low | 92 Ų | 92 | 51.6 Ų | 51.6 | 43% | 0.43 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -61.1 | -44.2 | 174 | -77.1 | 177.2 | -4.1 | 0 | 0 | 111.9 | T170 T171 Y176 L177 A178 L220 | T170-Q174 HydrophobicContact CG2-CG 4.45Å; T170-Q174 WeakPolarHBondContact O-CB 3.22Å; T170-Q174 VanDerWaalsContact O-CG 3.24Å; T170-Q174 WeakPolarHBondContact O-CG 3.38Å; T170-Q174 PolarHBondContact O-N 3.43Å; T171-Q174 PolarHBondContact O-N 2.84Å; Q174-Y176 PolarHBondContact O-N 3.38Å; Q174-L177 CarbonylContact O-C 3.45Å; Q174-L177 PolarHBondContact O-N 3.46Å; Q174-A178 WeakPolarHBondContact O-CB 3.31Å; Q174-A178 PolarHBondContact O-N 2.87Å; Q174-L220 HydrophobicContact CG-CD1 4.18Å; Q174-L220 HydrophobicContact CG-CD2 3.8Å |
| 175 | R | 72.9 | Confident | 67.5 | Low | 58 Ų | 58 | 51.6 Ų | 51.6 | 22% | 0.219 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63 | -41.2 | 174.7 | -76.5 | -179.7 | 172.8 | -138.3 | -3.5 | 111.7 | L126 M131 T171 L172 V173 L177 A178 L179 | L126-R175 VanDerWaalsContact CD2-NH1 3.31Å; L126-R175 PolarHBondContact O-NH2 3.36Å; M131-R175 PolarHBondContact O-NH1 3.17Å; M131-R175 PolarHBondContact O-NH2 3.18Å; T171-R175 WeakPolarHBondContact O-CB 3.27Å; T171-R175 WeakPolarHBondContact O-CG 3.4Å; T171-R175 PolarHBondContact O-N 3.22Å; L172-R175 PolarHBondContact O-N 2.9Å; V173-R175 PolarHBondContact O-N 3.24Å; R175-L177 VanDerWaalsContact C-N 3.32Å; R175-L177 PolarHBondContact O-N 3.31Å; R175-A178 PolarHBondContact O-N 2.99Å; R175-L179 WeakPolarHBondContact O-CG 3.49Å; R175-L179 PolarHBondContact O-N 2.92Å |
| 176 | Y | 71.7 | Confident | 66.3 | Low | 4 Ų | 4 | 56.7 Ų | 56.7 | 2% | 0.016 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -58.4 | -44.4 | 173.1 | -168.5 | -86.9 | 0 | 0 | 0 | 111.4 | L141 S142 I145 L172 V173 Q174 W183 R189 Y192 L224 | L141-Y176 HydrophobicContact CB-CD2 3.72Å; L141-Y176 HydrophobicContact CB-CE2 4.41Å; S142-Y176 VanDerWaalsContact OG-CE2 3.26Å; S142-Y176 WeakPolarHBondContact OG-CE2 3.37Å; S142-Y176 PolarHBondContact OG-OH 2.82Å; I145-Y176 HydrophobicContact CD1-CD2 3.81Å; I145-Y176 HydrophobicContact CD1-CE2 4.45Å; I145-Y176 HydrophobicContact CD1-CG 3.98Å; L172-Y176 WeakPolarHBondContact O-CB 3.08Å; L172-Y176 PolarHBondContact O-N 3.46Å; V173-Y176 WeakPolarHBondContact O-CB 3.32Å; V173-Y176 PolarHBondContact O-N 2.94Å; Q174-Y176 PolarHBondContact O-N 3.38Å; Y176-W183 AromaticContact CD1-CH2 3.48Å; Y176-W183 HydrophobicContact CD1-CH2 3.48Å; Y176-W183 VanDerWaalsContact CD1-CH2 3.48Å; Y176-W183 AromaticContact CD1-CZ2 3.56Å; Y176-W183 HydrophobicContact CD1-CZ2 3.56Å; Y176-W183 HydrophobicContact CD2-CH2 4.13Å; Y176-W183 HydrophobicContact CD2-CZ2 4.32Å; Y176-W183 AromaticContact CE1-CH2 2.96Å; Y176-W183 HydrophobicContact CE1-CH2 2.96Å; Y176-W183 AromaticContact CE1-CZ2 3.57Å; Y176-W183 HydrophobicContact CE1-CZ2 3.57Å; Y176-W183 AromaticContact CE1-CZ3 3.73Å; Y176-W183 HydrophobicContact CE1-CZ3 3.73Å; Y176-W183 AromaticContact CE2-CH2 3.66Å; Y176-W183 HydrophobicContact CE2-CH2 3.66Å; Y176-W183 HydrophobicContact CE2-CZ2 4.29Å; Y176-W183 HydrophobicContact CG-CH2 4.09Å; Y176-W183 HydrophobicContact CG-CZ2 4.01Å; Y176-W183 AromaticContact CZ-CH2 3.1Å; Y176-W183 AromaticContact CZ-CZ2 3.99Å; Y176-W183 AromaticContact CZ-CZ3 3.84Å; Y176-W183 WeakPolarHBondContact O-CZ2 3.39Å; Y176-W183 WeakPolarHBondContact OH-CH2 3.47Å; Y176-R189 HydrophobicContact CE1-CG 4.38Å; Y176-Y192 HydrophobicContact CE2-CE1 4.36Å; Y176-Y192 AromaticContact CZ-CD1 3.89Å; Y176-Y192 WeakPolarHBondContact OH-CD1 3.45Å; Y176-L224 HydrophobicContact CD1-CD2 3.21Å; Y176-L224 HydrophobicContact CE1-CD2 3.45Å; Y176-L224 VanDerWaalsContact CE1-CD2 3.45Å; Y176-L224 HydrophobicContact CG-CD2 4.31Å |
| 177 | L | 68 | Low | 65.2 | Low | 13 Ų | 13 | 59.3 Ų | 59.3 | 7% | 0.068 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -68.5 | -33.5 | 176.4 | -71.8 | 167.6 | 0 | 0 | 0 | 113.4 | V173 Q174 R175 L179 R180 L220 E223 L224 | V173-L177 HydrophobicContact CG1-CD1 4.03Å; V173-L177 HydrophobicContact CG1-CG 4.37Å; V173-L177 WeakPolarHBondContact O-CB 3.41Å; V173-L177 VanDerWaalsContact O-CG 3.31Å; V173-L177 WeakPolarHBondContact O-CG 3.27Å; V173-L177 PolarHBondContact O-N 2.78Å; Q174-L177 CarbonylContact O-C 3.45Å; Q174-L177 PolarHBondContact O-N 3.46Å; R175-L177 VanDerWaalsContact C-N 3.32Å; R175-L177 PolarHBondContact O-N 3.31Å; L177-L179 VanDerWaalsContact C-N 3.31Å; L177-L179 PolarHBondContact O-N 3.4Å; L177-R180 VanDerWaalsContact O-CG 3.24Å; L177-R180 WeakPolarHBondContact O-CG 3.45Å; L177-L220 HydrophobicContact CD1-CD2 3.69Å; L177-E223 HydrophobicContact CD1-CB 3.95Å; L177-E223 WeakPolarHBondContact CD1-OE2 3.35Å; L177-E223 HydrophobicContact CD2-CB 4.15Å; L177-L224 HydrophobicContact CD2-CD2 3.64Å; L177-L224 HydrophobicContact CD2-CG 4.24Å; L177-L224 HydrophobicContact CG-CD2 3.94Å |
| 178 | A | 67.3 | Low | 64.4 | Low | 81 Ų | 81 | 61.6 Ų | 61.6 | 67% | 0.669 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -68.9 | -29.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q174 R175 R180 | Q174-A178 WeakPolarHBondContact O-CB 3.31Å; Q174-A178 PolarHBondContact O-N 2.87Å; R175-A178 PolarHBondContact O-N 2.99Å; A178-R180 PolarHBondContact O-N 3.28Å |
| 179 | L | 62.6 | Low | 63.3 | Low | 36 Ų | 36 | 62.8 Ų | 62.8 | 19% | 0.188 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | 11.9 | -179.7 | -73.1 | 171.5 | 0 | 0 | 0 | 114.6 | L138 L141 R175 L177 T181 F182 W183 | L138-L179 HydrophobicContact CD2-CB 4.44Å; L138-L179 HydrophobicContact CD2-CD1 4.3Å; L141-L179 HydrophobicContact CD1-CD1 3.34Å; R175-L179 WeakPolarHBondContact O-CG 3.49Å; R175-L179 PolarHBondContact O-N 2.92Å; L177-L179 VanDerWaalsContact C-N 3.31Å; L177-L179 PolarHBondContact O-N 3.4Å; L179-T181 PolarHBondContact O-N 3.37Å; L179-F182 HydrophobicContact CD2-CD2 4.18Å; L179-F182 HydrophobicContact CD2-CE2 4.44Å; L179-F182 PolarHBondContact O-N 2.9Å; L179-W183 PolarHBondContact O-NE1 3.2Å |
| 180 | R | 55.2 | Low | 62.3 | Low | 151 Ų | 151 | 63.3 Ų | 63.3 | 57% | 0.57 | 32% | 0.319 | S | S | * | . | G | 310 helix | trans | -39.8 | -27.8 | -174.2 | -97.8 | 170 | -163.2 | -165.9 | 8.7 | 116.3 | L177 A178 W183 | L177-R180 VanDerWaalsContact O-CG 3.24Å; L177-R180 WeakPolarHBondContact O-CG 3.45Å; A178-R180 PolarHBondContact O-N 3.28Å; R180-W183 VanDerWaalsContact O-CD1 3.25Å |
| 181 | T | 52.3 | Low | 61.6 | Low | 122 Ų | 122 | 68.8 Ų | 68.8 | 75% | 0.748 | 34% | 0.343 | S | S | * | . | G | 310 helix | trans | -67.1 | -29.2 | 176.2 | 47.8 | 0 | 0 | 0 | 0 | 114.3 | L179 W183 | L179-T181 PolarHBondContact O-N 3.37Å; T181-W183 VanDerWaalsContact C-N 3.3Å; T181-W183 PolarHBondContact O-N 2.85Å |
| 182 | F | 48.9 | Very low | 61.2 | Low | 146 Ų | 146 | 68.8 Ų | 68.8 | 64% | 0.64 | 34% | 0.341 | S | S | * | . | G | 310 helix | trans | -88.2 | 14.9 | -179 | -68.7 | -82.1 | 0 | 0 | 0 | 114.4 | L179 P184 | L179-F182 HydrophobicContact CD2-CD2 4.18Å; L179-F182 HydrophobicContact CD2-CE2 4.44Å; L179-F182 PolarHBondContact O-N 2.9Å; F182-P184 WeakPolarHBondContact O-CD 3.46Å |
| 183 | W | 54.8 | Low | 60.5 | Low | 31 Ų | 31 | 68.7 Ų | 68.7 | 12% | 0.117 | 34% | 0.34 | C | S | . | . | trans | -106.8 | 31.3 | -169.3 | -62.5 | 70.7 | 0 | 0 | 0 | 116.4 | L138 Y176 L179 R180 T181 V185 R189 | L138-W183 HydrophobicContact CD1-CD2 4.19Å; L138-W183 HydrophobicContact CD1-CE3 4.27Å; L138-W183 HydrophobicContact CD1-CH2 4.11Å; L138-W183 HydrophobicContact CD1-CZ2 4.24Å; L138-W183 HydrophobicContact CD1-CZ3 4.21Å; L138-W183 HydrophobicContact CD2-CD2 4.43Å; L138-W183 HydrophobicContact CD2-CH2 3.39Å; L138-W183 HydrophobicContact CD2-CZ2 3.11Å; L138-W183 HydrophobicContact CD2-CZ3 4.29Å; L138-W183 HydrophobicContact CG-CH2 4.27Å; L138-W183 HydrophobicContact CG-CZ2 4.27Å; Y176-W183 AromaticContact CD1-CH2 3.48Å; Y176-W183 HydrophobicContact CD1-CH2 3.48Å; Y176-W183 VanDerWaalsContact CD1-CH2 3.48Å; Y176-W183 AromaticContact CD1-CZ2 3.56Å; Y176-W183 HydrophobicContact CD1-CZ2 3.56Å; Y176-W183 HydrophobicContact CD2-CH2 4.13Å; Y176-W183 HydrophobicContact CD2-CZ2 4.32Å; Y176-W183 AromaticContact CE1-CH2 2.96Å; Y176-W183 HydrophobicContact CE1-CH2 2.96Å; Y176-W183 AromaticContact CE1-CZ2 3.57Å; Y176-W183 HydrophobicContact CE1-CZ2 3.57Å; Y176-W183 AromaticContact CE1-CZ3 3.73Å; Y176-W183 HydrophobicContact CE1-CZ3 3.73Å; Y176-W183 AromaticContact CE2-CH2 3.66Å; Y176-W183 HydrophobicContact CE2-CH2 3.66Å; Y176-W183 HydrophobicContact CE2-CZ2 4.29Å; Y176-W183 HydrophobicContact CG-CH2 4.09Å; Y176-W183 HydrophobicContact CG-CZ2 4.01Å; Y176-W183 AromaticContact CZ-CH2 3.1Å; Y176-W183 AromaticContact CZ-CZ2 3.99Å; Y176-W183 AromaticContact CZ-CZ3 3.84Å; Y176-W183 WeakPolarHBondContact O-CZ2 3.39Å; Y176-W183 WeakPolarHBondContact OH-CH2 3.47Å; L179-W183 PolarHBondContact O-NE1 3.2Å; R180-W183 VanDerWaalsContact O-CD1 3.25Å; T181-W183 VanDerWaalsContact C-N 3.3Å; T181-W183 PolarHBondContact O-N 2.85Å; W183-V185 CarbonylContact O-C 3.53Å; W183-V185 PolarHBondContact O-N 3.28Å; W183-R189 HydrophobicContact CE3-CB 3.63Å; W183-R189 HydrophobicContact CE3-CG 3.87Å; W183-R189 HydrophobicContact CH2-CG 4.35Å; W183-R189 HydrophobicContact CZ3-CB 3.47Å; W183-R189 VanDerWaalsContact CZ3-CB 3.47Å; W183-R189 HydrophobicContact CZ3-CG 3.52Å | ||
| 184 | P | 46.2 | Very low | 59.7 | Low | 122 Ų | 122 | 68.6 Ų | 68.6 | 79% | 0.792 | 34% | 0.34 | S | S | * | . | trans | -62.2 | -2.4 | -178 | 25.9 | -30.4 | 0 | 0 | 0 | 113.7 | F182 | F182-P184 WeakPolarHBondContact O-CD 3.46Š| ||
| 185 | V | 51.9 | Low | 59.1 | Low | 63 Ų | 63 | 65.7 Ų | 65.7 | 38% | 0.382 | 33% | 0.327 | S | S | . | . | trans | -108.7 | 73.3 | 170.1 | -161.6 | 0 | 0 | 0 | 0 | 111.2 | W183 K187 Q188 | W183-V185 CarbonylContact O-C 3.53Å; W183-V185 PolarHBondContact O-N 3.28Å; V185-K187 HydrophobicContact CG1-CB 4.07Å; V185-K187 HydrophobicContact CG1-CG 4.49Å; V185-K187 PolarHBondContact O-N 3.12Å; V185-Q188 HydrophobicContact CB-CG 4.27Å; V185-Q188 HydrophobicContact CG1-CB 4.36Å; V185-Q188 HydrophobicContact CG1-CG 3.82Å; V185-Q188 PolarHBondContact O-N 3.18Å | ||
| 186 | K | 54.3 | Low | 58.9 | Low | 109 Ų | 109 | 66 Ų | 66 | 47% | 0.474 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -43.6 | -27.5 | 171.3 | -65.7 | -175.2 | 177.8 | -170.2 | 0 | 113.9 | F190 D227 Y230 | K186-F190 PolarHBondContact O-N 3.15Å; K186-D227 IonicContact NZ-OD2 3.91Å; K186-Y230 PolarHBondContact O-OH 3.41Å |
| 187 | K | 53.6 | Low | 58.9 | Low | 100 Ų | 100 | 65.8 Ų | 65.8 | 44% | 0.435 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -66.1 | -39.9 | 178.2 | -50.2 | 175.2 | -164.5 | 176.4 | 0 | 113.8 | V185 F191 Y259 | V185-K187 HydrophobicContact CG1-CB 4.07Å; V185-K187 HydrophobicContact CG1-CG 4.49Å; V185-K187 PolarHBondContact O-N 3.12Å; K187-F191 WeakPolarHBondContact O-CB 3.47Å; K187-F191 PolarHBondContact O-N 2.77Å; K187-Y259 HydrophobicContact CD-CD1 3.75Å; K187-Y259 HydrophobicContact CD-CD2 3.77Å; K187-Y259 HydrophobicContact CD-CE1 3.88Å; K187-Y259 HydrophobicContact CD-CE2 3.97Å; K187-Y259 HydrophobicContact CD-CG 3.68Å; K187-Y259 VanDerWaalsContact CE-CZ 3.5Å; K187-Y259 HydrophobicContact CG-CD1 4.4Å; K187-Y259 HydrophobicContact CG-CD2 4.18Å; K187-Y259 HydrophobicContact CG-CG 3.98Å; K187-Y259 PolarHBondContact NZ-OH 3.17Å |
| 188 | Q | 58.8 | Low | 58.8 | Low | 129 Ų | 129 | 66.5 Ų | 66.5 | 60% | 0.603 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -71.3 | -41.8 | -175.9 | -77.3 | 177.8 | -2.9 | 0 | 0 | 111.5 | V185 F191 Y192 | V185-Q188 HydrophobicContact CB-CG 4.27Å; V185-Q188 HydrophobicContact CG1-CB 4.36Å; V185-Q188 HydrophobicContact CG1-CG 3.82Å; V185-Q188 PolarHBondContact O-N 3.18Å; Q188-F191 PolarHBondContact O-N 2.85Å; Q188-Y192 WeakPolarHBondContact O-CB 3.15Å; Q188-Y192 PolarHBondContact O-N 3.22Å |
| 189 | R | 58.2 | Low | 58.7 | Low | 29 Ų | 29 | 63.8 Ų | 63.8 | 11% | 0.109 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -54.7 | -55.3 | 175.2 | -172.3 | 177.1 | 174.7 | -163.3 | -0.5 | 111.3 | Y176 W183 F191 Y192 V193 E223 L224 | Y176-R189 HydrophobicContact CE1-CG 4.38Å; W183-R189 HydrophobicContact CE3-CB 3.63Å; W183-R189 HydrophobicContact CE3-CG 3.87Å; W183-R189 HydrophobicContact CH2-CG 4.35Å; W183-R189 HydrophobicContact CZ3-CB 3.47Å; W183-R189 VanDerWaalsContact CZ3-CB 3.47Å; W183-R189 HydrophobicContact CZ3-CG 3.52Å; R189-F191 VanDerWaalsContact C-N 3.35Å; R189-F191 PolarHBondContact O-N 3.1Å; R189-Y192 PolarHBondContact O-N 3.25Å; R189-V193 VanDerWaalsContact O-CG2 3.27Å; R189-V193 WeakPolarHBondContact O-CG2 3.28Å; R189-V193 PolarHBondContact O-N 3.49Å; R189-E223 PolarHBondContact NH2-O 2.89Å; R189-L224 PolarHBondContact NE-O 3.31Å; R189-L224 VanDerWaalsContact NE-O 3.14Å; R189-L224 VanDerWaalsContact NH2-CA 3.35Å |
| 190 | F | 55.9 | Low | 59.1 | Low | 13 Ų | 13 | 63.3 Ų | 63.3 | 6% | 0.057 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -65.8 | -40.1 | -176.6 | -149.4 | -68.2 | 0 | 0 | 0 | 111.5 | K186 Y192 V193 C194 I225 Y230 L263 | K186-F190 PolarHBondContact O-N 3.15Å; F190-Y192 PolarHBondContact O-N 3.29Å; F190-V193 PolarHBondContact O-N 3.46Å; F190-C194 WeakPolarHBondContact CD1-SG 3.15Å; F190-C194 WeakPolarHBondContact CE1-SG 3.24Å; F190-C194 WeakPolarHBondContact O-CB 3.43Å; F190-C194 PolarHBondContact O-N 2.78Å; F190-C194 PolarHBondContact O-SG 2.82Å; F190-C194 VanDerWaalsContact O-SG 3.32Å; F190-I225 WeakPolarHBondContact CD2-O 3.12Å; F190-I225 HydrophobicContact CE1-CG2 4.3Å; F190-I225 HydrophobicContact CE2-CG2 3.91Å; F190-I225 WeakPolarHBondContact CE2-O 3.25Å; F190-I225 HydrophobicContact CZ-CG2 3.59Å; F190-Y230 HydrophobicContact CD2-CD1 4.48Å; F190-Y230 HydrophobicContact CD2-CD2 4.14Å; F190-Y230 AromaticContact CD2-CE1 3.88Å; F190-Y230 HydrophobicContact CD2-CE1 3.88Å; F190-Y230 AromaticContact CD2-CE2 3.52Å; F190-Y230 HydrophobicContact CD2-CE2 3.52Å; F190-Y230 AromaticContact CD2-CZ 3.36Å; F190-Y230 WeakPolarHBondContact CD2-OH 3.4Å; F190-Y230 HydrophobicContact CE2-CD1 4.46Å; F190-Y230 AromaticContact CE2-CD2 3.89Å; F190-Y230 HydrophobicContact CE2-CD2 3.89Å; F190-Y230 HydrophobicContact CE2-CE1 4.3Å; F190-Y230 AromaticContact CE2-CE2 3.74Å; F190-Y230 HydrophobicContact CE2-CE2 3.74Å; F190-Y230 HydrophobicContact CE2-CG 4.26Å; F190-Y230 AromaticContact CE2-CZ 3.95Å; F190-L263 HydrophobicContact CD1-CB 4.44Å; F190-L263 HydrophobicContact CD1-CD1 3.61Å; F190-L263 HydrophobicContact CD1-CD2 3.45Å; F190-L263 VanDerWaalsContact CD1-CD2 3.45Å; F190-L263 HydrophobicContact CD1-CG 3.9Å; F190-L263 HydrophobicContact CE1-CB 4.45Å; F190-L263 HydrophobicContact CE1-CD1 3.29Å; F190-L263 HydrophobicContact CE1-CD2 2.84Å; F190-L263 HydrophobicContact CE1-CG 3.47Å; F190-L263 VanDerWaalsContact CE1-CG 3.47Å; F190-L263 HydrophobicContact CE2-CD2 4.27Å; F190-L263 HydrophobicContact CG-CD2 4.42Å; F190-L263 HydrophobicContact CZ-CD1 4.44Å; F190-L263 HydrophobicContact CZ-CD2 3.3Å; F190-L263 HydrophobicContact CZ-CG 4.33Å |
| 191 | F | 60.1 | Low | 59.8 | Low | 123 Ų | 123 | 56.3 Ų | 56.3 | 54% | 0.539 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -61 | -42.3 | 175.6 | -175.7 | -89.6 | 0 | 0 | 0 | 112.7 | K187 Q188 R189 N195 | K187-F191 WeakPolarHBondContact O-CB 3.47Å; K187-F191 PolarHBondContact O-N 2.77Å; Q188-F191 PolarHBondContact O-N 2.85Å; R189-F191 VanDerWaalsContact C-N 3.35Å; R189-F191 PolarHBondContact O-N 3.1Å; F191-N195 WeakPolarHBondContact CD1-ND2 3.44Å; F191-N195 WeakPolarHBondContact CD2-ND2 3.26Å; F191-N195 WeakPolarHBondContact CE1-ND2 3.35Å; F191-N195 WeakPolarHBondContact CE2-ND2 3.22Å; F191-N195 VanDerWaalsContact CG-ND2 3.27Å; F191-N195 WeakPolarHBondContact CG-ND2 3.35Å; F191-N195 WeakPolarHBondContact CZ-ND2 3.4Å; F191-N195 WeakPolarHBondContact O-CB 3.46Å; F191-N195 PolarHBondContact O-N 3.47Å; F191-N195 PolarHBondContact O-ND2 2.79Å; F191-N195 VanDerWaalsContact O-ND2 3.07Å |
| 192 | Y | 65.2 | Low | 60.3 | Low | 17 Ų | 17 | 50.6 Ų | 50.6 | 7% | 0.067 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -62.4 | -52.1 | 176.8 | 167.3 | -109.7 | 0 | 0 | 0 | 111.1 | S142 Y176 Q188 R189 F190 C194 N195 H196 L197 | S142-Y192 WeakPolarHBondContact CA-OH 3.41Å; S142-Y192 VanDerWaalsContact CB-CE2 3.42Å; S142-Y192 PolarHBondContact O-OH 3.34Å; S142-Y192 WeakPolarHBondContact OG-CD1 3.47Å; S142-Y192 VanDerWaalsContact OG-CE1 3.32Å; S142-Y192 WeakPolarHBondContact OG-CE1 3.1Å; S142-Y192 WeakPolarHBondContact OG-CE2 3.46Å; Y176-Y192 HydrophobicContact CE2-CE1 4.36Å; Y176-Y192 AromaticContact CZ-CD1 3.89Å; Y176-Y192 WeakPolarHBondContact OH-CD1 3.45Å; Q188-Y192 WeakPolarHBondContact O-CB 3.15Å; Q188-Y192 PolarHBondContact O-N 3.22Å; R189-Y192 PolarHBondContact O-N 3.25Å; F190-Y192 PolarHBondContact O-N 3.29Å; Y192-C194 VanDerWaalsContact C-N 3.27Å; Y192-C194 PolarHBondContact O-N 3.47Å; Y192-N195 PolarHBondContact O-N 3.35Å; Y192-H196 HydrophobicContact CD2-CB 4.12Å; Y192-H196 AromaticContact CD2-CD2 3.9Å; Y192-H196 HydrophobicContact CE2-CB 3.99Å; Y192-H196 VanDerWaalsContact O-CB 3.32Å; Y192-H196 WeakPolarHBondContact O-CB 3.31Å; Y192-H196 PolarHBondContact O-CD2 3.21Å; Y192-H196 PolarHBondContact O-N 2.88Å; Y192-L197 HydrophobicContact CD1-CD1 4.39Å; Y192-L197 HydrophobicContact CD1-CG 4.49Å; Y192-L197 HydrophobicContact CE1-CD1 3.8Å; Y192-L197 HydrophobicContact CE1-CD2 4.08Å; Y192-L197 HydrophobicContact CE1-CG 3.9Å; Y192-L197 WeakPolarHBondContact OH-CD2 3.38Å |
| 193 | V | 64.6 | Low | 61.2 | Low | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 24% | 0.237 | C | C | . | . | I | π-helix | trans | -58.2 | -41.9 | -179 | 179.6 | 0 | 0 | 0 | 0 | 111.3 | R189 F190 L197 I198 L224 I225 | R189-V193 VanDerWaalsContact O-CG2 3.27Å; R189-V193 WeakPolarHBondContact O-CG2 3.28Å; R189-V193 PolarHBondContact O-N 3.49Å; F190-V193 PolarHBondContact O-N 3.46Å; V193-L197 HydrophobicContact CB-CD1 4.31Å; V193-L197 HydrophobicContact CG1-CB 4.23Å; V193-L197 HydrophobicContact CG1-CD1 4.15Å; V193-L197 HydrophobicContact CG2-CD1 4.01Å; V193-L197 WeakPolarHBondContact O-CA 3Å; V193-L197 VanDerWaalsContact O-CB 3.32Å; V193-L197 WeakPolarHBondContact O-CB 3.43Å; V193-L197 PolarHBondContact O-N 2.95Å; V193-I198 HydrophobicContact CG1-CG1 4.45Å; V193-I198 PolarHBondContact O-N 3.48Å; V193-L224 HydrophobicContact CG2-CB 3.79Å; V193-I225 HydrophobicContact CB-CG1 4.5Å; V193-I225 HydrophobicContact CG1-CB 4.43Å; V193-I225 HydrophobicContact CG1-CD1 4.18Å; V193-I225 HydrophobicContact CG1-CG1 3.31Å |
| 194 | C | 57.9 | Low | 61.7 | Low | 2 Ų | 2 | 47.2 Ų | 47.2 | 1% | 0.014 | 23% | 0.232 | C | C | . | . | I | π-helix | trans | -83.8 | -29.2 | -173.6 | -62.9 | 0 | 0 | 0 | 0 | 115 | F190 Y192 I198 P199 L263 | F190-C194 WeakPolarHBondContact CD1-SG 3.15Å; F190-C194 WeakPolarHBondContact CE1-SG 3.24Å; F190-C194 WeakPolarHBondContact O-CB 3.43Å; F190-C194 PolarHBondContact O-N 2.78Å; F190-C194 PolarHBondContact O-SG 2.82Å; F190-C194 VanDerWaalsContact O-SG 3.32Å; Y192-C194 VanDerWaalsContact C-N 3.27Å; Y192-C194 PolarHBondContact O-N 3.47Å; C194-I198 HydrophobicContact CB-CD1 4.37Å; C194-P199 WeakPolarHBondContact O-CD 3.21Å; C194-L263 HydrophobicContact CB-CD1 3.42Å; C194-L263 VanDerWaalsContact CB-CD1 3.42Å; C194-L263 WeakPolarHBondContact SG-CD1 3.32Å |
| 195 | N | 61.4 | Low | 62.4 | Low | 31 Ų | 31 | 41.7 Ų | 41.7 | 17% | 0.166 | 20% | 0.197 | C | C | . | . | I | π-helix | trans | -89 | -21.1 | 177.3 | -61.1 | -37.7 | 0 | 0 | 0 | 113.3 | F191 Y192 K266 | F191-N195 WeakPolarHBondContact CD1-ND2 3.44Å; F191-N195 WeakPolarHBondContact CD2-ND2 3.26Å; F191-N195 WeakPolarHBondContact CE1-ND2 3.35Å; F191-N195 WeakPolarHBondContact CE2-ND2 3.22Å; F191-N195 VanDerWaalsContact CG-ND2 3.27Å; F191-N195 WeakPolarHBondContact CG-ND2 3.35Å; F191-N195 WeakPolarHBondContact CZ-ND2 3.4Å; F191-N195 WeakPolarHBondContact O-CB 3.46Å; F191-N195 PolarHBondContact O-N 3.47Å; F191-N195 PolarHBondContact O-ND2 2.79Å; F191-N195 VanDerWaalsContact O-ND2 3.07Å; Y192-N195 PolarHBondContact O-N 3.35Å; N195-K266 VanDerWaalsContact CG-NZ 3.3Å; N195-K266 PolarHBondContact ND2-NZ 3.4Å; N195-K266 VanDerWaalsContact ND2-NZ 3.18Å; N195-K266 WeakPolarHBondContact OD1-CD 3.41Å; N195-K266 PolarHBondContact OD1-NZ 2.86Å |
| 196 | H | 68.7 | Low | 62.7 | Low | 64 Ų | 64 | 41.3 Ų | 41.3 | 30% | 0.296 | 19% | 0.192 | S | C | . | . | I | π-helix | trans | -116.9 | -57.7 | -174.5 | -59.6 | -94.6 | 0 | 0 | 0 | 111.4 | E146 Y192 L200 | E146-H196 IonicContact OE1-CG 3.51Å; E146-H196 IonicContact OE1-ND1 2.66Å; E146-H196 PolarHBondContact OE1-ND1 3.22Å; E146-H196 IonicContact OE2-CE1 3.8Å; E146-H196 IonicContact OE2-CG 2.7Å; E146-H196 IonicContact OE2-ND1 3.93Å; E146-H196 PolarHBondContact OE2-ND1 3.31Å; E146-H196 VanDerWaalsContact OE2-ND1 3.13Å; Y192-H196 HydrophobicContact CD2-CB 4.12Å; Y192-H196 AromaticContact CD2-CD2 3.9Å; Y192-H196 HydrophobicContact CE2-CB 3.99Å; Y192-H196 VanDerWaalsContact O-CB 3.32Å; Y192-H196 WeakPolarHBondContact O-CB 3.31Å; Y192-H196 PolarHBondContact O-CD2 3.21Å; Y192-H196 PolarHBondContact O-N 2.88Å; H196-L200 WeakPolarHBondContact O-CD1 3.41Å; H196-L200 VanDerWaalsContact O-CG 3.31Å; H196-L200 WeakPolarHBondContact O-CG 3.26Å; H196-L200 PolarHBondContact O-N 2.72Å |
| 197 | L | 71 | Confident | 62.9 | Low | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 19% | 0.186 | C | C | . | . | I | π-helix | trans | -71.9 | -47.5 | -171.9 | -56.6 | -173.5 | 0 | 0 | 0 | 113.6 | I145 L149 Y192 V193 L200 M201 L224 | I145-L197 HydrophobicContact CG2-CD2 3.82Å; L149-L197 HydrophobicContact CD1-CD2 3.47Å; L149-L197 VanDerWaalsContact CD1-CD2 3.47Å; Y192-L197 HydrophobicContact CD1-CD1 4.39Å; Y192-L197 HydrophobicContact CD1-CG 4.49Å; Y192-L197 HydrophobicContact CE1-CD1 3.8Å; Y192-L197 HydrophobicContact CE1-CD2 4.08Å; Y192-L197 HydrophobicContact CE1-CG 3.9Å; Y192-L197 WeakPolarHBondContact OH-CD2 3.38Å; V193-L197 HydrophobicContact CB-CD1 4.31Å; V193-L197 HydrophobicContact CG1-CB 4.23Å; V193-L197 HydrophobicContact CG1-CD1 4.15Å; V193-L197 HydrophobicContact CG2-CD1 4.01Å; V193-L197 WeakPolarHBondContact O-CA 3Å; V193-L197 VanDerWaalsContact O-CB 3.32Å; V193-L197 WeakPolarHBondContact O-CB 3.43Å; V193-L197 PolarHBondContact O-N 2.95Å; L197-L200 PolarHBondContact O-N 3.39Å; L197-M201 WeakPolarHBondContact O-CG 3.49Å; L197-M201 PolarHBondContact O-N 2.94Å; L197-L224 HydrophobicContact CD1-CD1 3.71Å |
| 198 | I | 65.4 | Low | 62.9 | Low | 27 Ų | 27 | 38.2 Ų | 38.2 | 14% | 0.138 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61 | -48.7 | -178.3 | -67.6 | 177.7 | 0 | 0 | 0 | 111.5 | V193 C194 L200 M201 A202 I225 L267 | V193-I198 HydrophobicContact CG1-CG1 4.45Å; V193-I198 PolarHBondContact O-N 3.48Å; C194-I198 HydrophobicContact CB-CD1 4.37Å; I198-L200 VanDerWaalsContact C-N 3.3Å; I198-L200 PolarHBondContact O-N 3.27Å; I198-M201 PolarHBondContact O-N 3.49Å; I198-A202 WeakPolarHBondContact O-CB 3.34Å; I198-A202 PolarHBondContact O-N 3.26Å; I198-I225 HydrophobicContact CD1-CD1 4.22Å; I198-I225 HydrophobicContact CG1-CD1 4.41Å; I198-L267 HydrophobicContact CD1-CD2 3.86Å; I198-L267 HydrophobicContact CG2-CD2 4.21Å |
| 199 | P | 66.2 | Low | 62.5 | Low | 24 Ų | 24 | 36.2 Ų | 36.2 | 16% | 0.156 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -59 | -38.3 | 176.8 | -27.3 | 36.6 | 0 | 0 | 0 | 113.6 | C194 K203 F270 | C194-P199 WeakPolarHBondContact O-CD 3.21Å; P199-K203 PolarHBondContact O-N 3.16Å; P199-F270 HydrophobicContact CG-CE1 4.16Å; P199-F270 HydrophobicContact CG-CZ 4.07Å |
| 200 | L | 69.7 | Low | 62.2 | Low | 27 Ų | 27 | 41.7 Ų | 41.7 | 14% | 0.141 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -66.3 | -46.6 | 176.2 | -74.8 | 170.7 | 0 | 0 | 0 | 111.6 | E146 L153 H196 L197 I198 A202 K203 S204 | E146-L200 HydrophobicContact CG-CD1 3.71Å; L153-L200 HydrophobicContact CD1-CB 4Å; L153-L200 HydrophobicContact CD1-CD2 3.87Å; L153-L200 VanDerWaalsContact CD1-O 3.31Å; L153-L200 WeakPolarHBondContact CD1-O 3.4Å; H196-L200 WeakPolarHBondContact O-CD1 3.41Å; H196-L200 VanDerWaalsContact O-CG 3.31Å; H196-L200 WeakPolarHBondContact O-CG 3.26Å; H196-L200 PolarHBondContact O-N 2.72Å; L197-L200 PolarHBondContact O-N 3.39Å; I198-L200 VanDerWaalsContact C-N 3.3Å; I198-L200 PolarHBondContact O-N 3.27Å; L200-A202 PolarHBondContact O-N 3.15Å; L200-K203 WeakPolarHBondContact O-CB 3.49Å; L200-K203 PolarHBondContact O-N 3.38Å; L200-S204 PolarHBondContact O-N 3.46Å |
| 201 | M | 69.9 | Low | 61.8 | Low | 3 Ų | 3 | 42.2 Ų | 42.2 | 2% | 0.015 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -67 | -36.5 | 178.5 | -69.8 | -58.6 | -56.5 | 0 | 0 | 113 | L149 W152 L197 I198 K203 S204 C205 V213 L218 I221 L284 | L149-M201 HydrophobicContact CD2-SD 3.83Å; W152-M201 HydrophobicContact CZ3-CE 4.27Å; W152-M201 HydrophobicContact CZ3-SD 4.37Å; L197-M201 WeakPolarHBondContact O-CG 3.49Å; L197-M201 PolarHBondContact O-N 2.94Å; I198-M201 PolarHBondContact O-N 3.49Å; M201-K203 PolarHBondContact O-N 3.37Å; M201-S204 WeakPolarHBondContact O-CB 3.24Å; M201-S204 PolarHBondContact O-N 3.12Å; M201-S204 PolarHBondContact O-OG 2.94Å; M201-C205 PolarHBondContact O-N 3.4Å; M201-V213 HydrophobicContact CE-CG1 3.58Å; M201-L218 HydrophobicContact CE-CD2 3.99Å; M201-I221 HydrophobicContact CE-CD1 4.25Å; M201-I221 HydrophobicContact CG-CD1 3.65Å; M201-I221 HydrophobicContact SD-CD1 3.71Å; M201-L284 HydrophobicContact CB-CD1 4.29Å; M201-L284 HydrophobicContact CB-CD2 3.6Å |
| 202 | A | 64.4 | Low | 61.3 | Low | 3 Ų | 3 | 41.4 Ų | 41.4 | 3% | 0.025 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -58.7 | -37.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | I198 L200 S204 C205 G280 A281 | I198-A202 WeakPolarHBondContact O-CB 3.34Å; I198-A202 PolarHBondContact O-N 3.26Å; L200-A202 PolarHBondContact O-N 3.15Å; A202-S204 VanDerWaalsContact C-N 3.35Å; A202-S204 PolarHBondContact O-N 3.36Å; A202-C205 PolarHBondContact O-N 2.94Å; A202-G280 VanDerWaalsContact O-CA 3.26Å; A202-G280 WeakPolarHBondContact O-CA 3.41Å; A202-A281 HydrophobicContact CB-CB 4.3Å |
| 203 | K | 66.2 | Low | 60.7 | Low | 102 Ų | 102 | 41 Ų | 41 | 44% | 0.443 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -63.8 | -34.9 | 173 | -69.3 | 178.7 | 178.2 | -176.3 | 0 | 112.9 | P199 L200 M201 C205 L206 I207 | P199-K203 PolarHBondContact O-N 3.16Å; L200-K203 WeakPolarHBondContact O-CB 3.49Å; L200-K203 PolarHBondContact O-N 3.38Å; M201-K203 PolarHBondContact O-N 3.37Å; K203-C205 VanDerWaalsContact C-N 3.25Å; K203-C205 PolarHBondContact O-N 3.46Å; K203-L206 WeakPolarHBondContact O-CB 3.35Å; K203-L206 PolarHBondContact O-N 2.87Å; K203-L206 VanDerWaalsContact O-N 3.14Å; K203-I207 WeakPolarHBondContact O-CD1 3.39Å; K203-I207 WeakPolarHBondContact O-CG1 3.42Å |
| 204 | S | 66.1 | Low | 60.4 | Low | 3 Ų | 3 | 41.3 Ų | 41.3 | 2% | 0.021 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -59.9 | -38.4 | 177.4 | 77.4 | 0 | 0 | 0 | 0 | 112 | L200 M201 A202 L206 I207 | L200-S204 PolarHBondContact O-N 3.46Å; M201-S204 WeakPolarHBondContact O-CB 3.24Å; M201-S204 PolarHBondContact O-N 3.12Å; M201-S204 PolarHBondContact O-OG 2.94Å; A202-S204 VanDerWaalsContact C-N 3.35Å; A202-S204 PolarHBondContact O-N 3.36Å; S204-L206 PolarHBondContact O-N 3.17Å; S204-I207 PolarHBondContact O-N 3.43Å |
| 205 | C | 61.6 | Low | 60.6 | Low | 7 Ų | 7 | 47 Ų | 47 | 5% | 0.047 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -69.7 | -11.3 | -178.7 | -66.4 | 0 | 0 | 0 | 0 | 114.2 | M201 A202 K203 G280 R283 | M201-C205 PolarHBondContact O-N 3.4Å; A202-C205 PolarHBondContact O-N 2.94Å; K203-C205 VanDerWaalsContact C-N 3.25Å; K203-C205 PolarHBondContact O-N 3.46Å; C205-G280 WeakPolarHBondContact CB-O 3.42Å; C205-R283 HydrophobicContact CB-CB 3.95Å; C205-R283 PolarHBondContact O-NH1 3.27Å |
| 206 | L | 58.2 | Low | 60.7 | Low | 55 Ų | 55 | 50.2 Ų | 50.2 | 29% | 0.288 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -89 | -30.4 | 172.9 | -63.3 | 174.1 | 0 | 0 | 0 | 112.5 | K203 S204 E276 I279 | K203-L206 WeakPolarHBondContact O-CB 3.35Å; K203-L206 PolarHBondContact O-N 2.87Å; K203-L206 VanDerWaalsContact O-N 3.14Å; S204-L206 PolarHBondContact O-N 3.17Å; L206-E276 HydrophobicContact CD1-CB 4.09Å; L206-E276 WeakPolarHBondContact CD1-O 3.18Å; L206-I279 HydrophobicContact CD2-CB 3.96Å; L206-I279 HydrophobicContact CD2-CG2 3.79Å |
| 207 | I | 57.7 | Low | 60.4 | Low | 69 Ų | 69 | 47.2 Ų | 47.2 | 35% | 0.354 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -78.6 | -30.6 | -167 | -70.6 | 166.5 | 0 | 0 | 0 | 112.1 | L153 L156 K203 S204 | L153-I207 HydrophobicContact CD2-CD1 4.35Å; L156-I207 HydrophobicContact CB-CG2 4.41Å; K203-I207 WeakPolarHBondContact O-CD1 3.39Å; K203-I207 WeakPolarHBondContact O-CG1 3.42Å; S204-I207 PolarHBondContact O-N 3.43Å |
| 208 | N | 53.2 | Low | 60.1 | Low | 75 Ų | 75 | 47.4 Ų | 47.4 | 40% | 0.401 | 26% | 0.255 | S | S | . | . | trans | -159.8 | 111.1 | 174.5 | -160.8 | -19 | 0 | 0 | 0 | 111.9 | N210 | N208-N210 PolarHBondContact O-N 3.43Å; N208-N210 PolarHBondContact OD1-N 3.3Å | ||
| 209 | V | 51.2 | Low | 60 | Low | 87 Ų | 87 | 51.4 Ų | 51.4 | 53% | 0.527 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -30.5 | -175.3 | -175.8 | 0 | 0 | 0 | 0 | 112.1 | ||
| 210 | N | 50.8 | Low | 59.9 | Low | 143 Ų | 143 | 50.7 Ų | 50.7 | 77% | 0.765 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.5 | -6.7 | -169.8 | -65.1 | -15.6 | 0 | 0 | 0 | 114.3 | N208 | N208-N210 PolarHBondContact O-N 3.43Å; N208-N210 PolarHBondContact OD1-N 3.3Å |
| 211 | S | 49.3 | Very low | 59.6 | Low | 24 Ų | 24 | 49.6 Ų | 49.6 | 17% | 0.168 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -71.8 | 126.5 | 177.1 | 176.7 | 0 | 0 | 0 | 0 | 109.4 | V213 | S211-V213 PolarHBondContact O-N 2.93Š|
| 212 | P | 48.9 | Very low | 59.3 | Low | 107 Ų | 107 | 49.6 Ų | 49.6 | 70% | 0.695 | 26% | 0.261 | S | S | * | . | trans | -65 | 93.6 | 167.2 | 28.6 | -31.1 | 0 | 0 | 0 | 106.6 | G214 | P212-G214 PolarHBondContact O-N 2.92Š| ||
| 213 | V | 53.4 | Low | 59.3 | Low | 8 Ų | 8 | 51.7 Ų | 51.7 | 5% | 0.048 | 27% | 0.27 | C | S | . | . | trans | -47.5 | 114.9 | 160.7 | 174.6 | 0 | 0 | 0 | 0 | 105.1 | W152 M201 S211 E215 L218 | W152-V213 HydrophobicContact CH2-CB 4.29Å; W152-V213 HydrophobicContact CH2-CG1 3.82Å; W152-V213 HydrophobicContact CH2-CG2 4.29Å; M201-V213 HydrophobicContact CE-CG1 3.58Å; S211-V213 PolarHBondContact O-N 2.93Å; V213-E215 PolarHBondContact O-N 3.11Å; V213-L218 HydrophobicContact CB-CD1 3.88Å; V213-L218 HydrophobicContact CB-CG 4.37Å; V213-L218 HydrophobicContact CG1-CD1 3.61Å; V213-L218 HydrophobicContact CG1-CD2 3.92Å; V213-L218 HydrophobicContact CG1-CG 3.55Å | ||
| 214 | G | 58.2 | Low | 59.2 | Low | 6 Ų | 6 | 46.9 Ų | 46.9 | 6% | 0.062 | 25% | 0.249 | C | C | . | . | trans | -41.5 | 108.4 | -170 | 0 | 0 | 0 | 0 | 0 | 110.5 | E166 P212 Q216 I217 L218 | E166-G214 WeakPolarHBondContact OE1-CA 3.21Å; P212-G214 PolarHBondContact O-N 2.92Å; G214-Q216 PolarHBondContact O-N 2.88Å; G214-I217 WeakPolarHBondContact O-CA 3.37Å; G214-I217 WeakPolarHBondContact O-CB 3.35Å; G214-I217 PolarHBondContact O-N 3.29Å; G214-L218 PolarHBondContact O-N 2.9Å; G214-L218 VanDerWaalsContact O-N 3.12Å | ||
| 215 | E | 61.7 | Low | 58.8 | Low | 121 Ų | 121 | 47.1 Ų | 47.1 | 57% | 0.565 | 25% | 0.25 | S | S | * | . | H | α-helix | trans | -55.1 | -29.1 | -172.8 | -76.4 | -166.9 | 155.8 | 0 | 0 | 110.7 | V213 L218 K219 H291 | V213-E215 PolarHBondContact O-N 3.11Å; E215-L218 PolarHBondContact O-N 3.26Å; E215-K219 WeakPolarHBondContact O-CB 3.39Å; E215-K219 PolarHBondContact O-N 3.47Å; E215-H291 PolarHBondContact O-CE1 3.06Å |
| 216 | Q | 63 | Low | 58.6 | Low | 99 Ų | 99 | 47.9 Ų | 47.9 | 46% | 0.463 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -66 | -42.1 | 175.4 | -156.4 | 169.4 | 17.2 | 0 | 0 | 112.5 | T170 G214 K219 L220 | T170-Q216 HydrophobicContact CG2-CG 4.2Å; G214-Q216 PolarHBondContact O-N 2.88Å; Q216-K219 PolarHBondContact O-N 2.87Å; Q216-L220 HydrophobicContact CG-CD1 4.29Å; Q216-L220 WeakPolarHBondContact O-CB 3.47Å; Q216-L220 WeakPolarHBondContact O-CD1 3.18Å; Q216-L220 WeakPolarHBondContact O-CG 3.46Å; Q216-L220 PolarHBondContact O-N 3.41Å |
| 217 | I | 62.7 | Low | 58.6 | Low | 2 Ų | 2 | 48.5 Ų | 48.5 | 1% | 0.01 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -64.7 | -47.2 | 174.7 | -63.8 | 170.8 | 0 | 0 | 0 | 110 | L149 E166 L169 G214 K219 L220 I221 | L149-I217 HydrophobicContact CD2-CG2 4.4Å; E166-I217 HydrophobicContact CG-CD1 4.02Å; E166-I217 HydrophobicContact CG-CG1 4.37Å; L169-I217 HydrophobicContact CB-CD1 4.09Å; L169-I217 HydrophobicContact CB-CG1 4.35Å; L169-I217 HydrophobicContact CD1-CD1 3.8Å; G214-I217 WeakPolarHBondContact O-CA 3.37Å; G214-I217 WeakPolarHBondContact O-CB 3.35Å; G214-I217 PolarHBondContact O-N 3.29Å; I217-K219 VanDerWaalsContact C-N 3.33Å; I217-K219 PolarHBondContact O-N 2.9Å; I217-L220 PolarHBondContact O-N 3.37Å; I217-I221 HydrophobicContact CG2-CD1 3.67Å; I217-I221 HydrophobicContact CG2-CG1 4.23Å; I217-I221 WeakPolarHBondContact O-CB 3.48Å; I217-I221 VanDerWaalsContact O-CG1 3.3Å; I217-I221 WeakPolarHBondContact O-CG1 3.31Å; I217-I221 PolarHBondContact O-N 3.27Å |
| 218 | L | 63.5 | Low | 58.4 | Low | 3 Ų | 3 | 48.1 Ų | 48.1 | 2% | 0.016 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -60.6 | -42.8 | 177.9 | -75.7 | 170.2 | 0 | 0 | 0 | 112 | M201 V213 G214 E215 I221 A222 L284 K287 L288 | M201-L218 HydrophobicContact CE-CD2 3.99Å; V213-L218 HydrophobicContact CB-CD1 3.88Å; V213-L218 HydrophobicContact CB-CG 4.37Å; V213-L218 HydrophobicContact CG1-CD1 3.61Å; V213-L218 HydrophobicContact CG1-CD2 3.92Å; V213-L218 HydrophobicContact CG1-CG 3.55Å; G214-L218 PolarHBondContact O-N 2.9Å; G214-L218 VanDerWaalsContact O-N 3.12Å; E215-L218 PolarHBondContact O-N 3.26Å; L218-I221 PolarHBondContact O-N 2.93Å; L218-A222 WeakPolarHBondContact O-CB 3.39Å; L218-A222 PolarHBondContact O-N 2.82Å; L218-L284 HydrophobicContact CD2-CD1 3.53Å; L218-K287 HydrophobicContact CD1-CB 4.05Å; L218-K287 HydrophobicContact CD1-CD 4.19Å; L218-L288 HydrophobicContact CD2-CD2 3.96Å; L218-L288 HydrophobicContact CD2-CG 4.48Å |
| 219 | K | 64 | Low | 58.4 | Low | 111 Ų | 111 | 46.8 Ų | 46.8 | 48% | 0.483 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -58.7 | -47.5 | 174.2 | -178.2 | -178.3 | 177.3 | -179.3 | 0 | 111.7 | E215 Q216 I217 A222 E223 | E215-K219 WeakPolarHBondContact O-CB 3.39Å; E215-K219 PolarHBondContact O-N 3.47Å; Q216-K219 PolarHBondContact O-N 2.87Å; I217-K219 VanDerWaalsContact C-N 3.33Å; I217-K219 PolarHBondContact O-N 2.9Å; K219-A222 PolarHBondContact O-N 3.47Å; K219-E223 PolarHBondContact O-N 3.01Å |
| 220 | L | 64.9 | Low | 58.7 | Low | 10 Ų | 10 | 44 Ų | 44 | 5% | 0.052 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -68.1 | -36.9 | -179.7 | -73 | 168.5 | 0 | 0 | 0 | 112.3 | T170 V173 Q174 L177 Q216 I217 E223 L224 | T170-L220 HydrophobicContact CG2-CD1 3.85Å; V173-L220 HydrophobicContact CB-CB 4.18Å; V173-L220 HydrophobicContact CB-CD1 4.33Å; V173-L220 HydrophobicContact CG1-CB 3.59Å; V173-L220 HydrophobicContact CG1-CD2 4.47Å; V173-L220 HydrophobicContact CG1-CG 4.42Å; Q174-L220 HydrophobicContact CG-CD1 4.18Å; Q174-L220 HydrophobicContact CG-CD2 3.8Å; L177-L220 HydrophobicContact CD1-CD2 3.69Å; Q216-L220 HydrophobicContact CG-CD1 4.29Å; Q216-L220 WeakPolarHBondContact O-CB 3.47Å; Q216-L220 WeakPolarHBondContact O-CD1 3.18Å; Q216-L220 WeakPolarHBondContact O-CG 3.46Å; Q216-L220 PolarHBondContact O-N 3.41Å; I217-L220 PolarHBondContact O-N 3.37Å; L220-E223 WeakPolarHBondContact O-CB 3.42Å; L220-E223 PolarHBondContact O-N 3.41Å; L220-L224 WeakPolarHBondContact O-CG 2.99Å; L220-L224 PolarHBondContact O-N 2.93Å |
| 221 | I | 63 | Low | 58.8 | Low | 4 Ų | 4 | 37.5 Ų | 37.5 | 2% | 0.021 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -66 | -43.4 | 172.3 | -68.7 | 174.1 | 0 | 0 | 0 | 110.7 | M201 I217 L218 E223 L224 I225 L288 | M201-I221 HydrophobicContact CE-CD1 4.25Å; M201-I221 HydrophobicContact CG-CD1 3.65Å; M201-I221 HydrophobicContact SD-CD1 3.71Å; I217-I221 HydrophobicContact CG2-CD1 3.67Å; I217-I221 HydrophobicContact CG2-CG1 4.23Å; I217-I221 WeakPolarHBondContact O-CB 3.48Å; I217-I221 VanDerWaalsContact O-CG1 3.3Å; I217-I221 WeakPolarHBondContact O-CG1 3.31Å; I217-I221 PolarHBondContact O-N 3.27Å; L218-I221 PolarHBondContact O-N 2.93Å; I221-E223 PolarHBondContact O-N 3.46Å; I221-L224 WeakPolarHBondContact O-CA 3.05Å; I221-L224 VanDerWaalsContact O-CB 3.31Å; I221-L224 WeakPolarHBondContact O-CB 3.48Å; I221-L224 PolarHBondContact O-N 3.46Å; I221-I225 HydrophobicContact CG2-CD1 3.88Å; I221-I225 HydrophobicContact CG2-CG1 4.33Å; I221-I225 WeakPolarHBondContact O-CG1 3.49Å; I221-I225 PolarHBondContact O-N 3.46Å; I221-L288 HydrophobicContact CG2-CD2 4.22Å |
| 222 | A | 64 | Low | 59.1 | Low | 3 Ų | 3 | 41 Ų | 41 | 3% | 0.025 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -58.7 | -36.2 | 173 | 0 | 0 | 0 | 0 | 0 | 111.2 | L218 K219 I225 F226 H291 | L218-A222 WeakPolarHBondContact O-CB 3.39Å; L218-A222 PolarHBondContact O-N 2.82Å; K219-A222 PolarHBondContact O-N 3.47Å; A222-I225 PolarHBondContact O-N 3.26Å; A222-F226 PolarHBondContact O-N 3.33Å; A222-H291 HydrophobicContact CB-CB 4.05Å |
| 223 | E | 64.8 | Low | 59.7 | Low | 46 Ų | 46 | 37 Ų | 37 | 22% | 0.215 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -65.8 | -33.8 | 171.9 | -76.7 | -174.5 | -153.8 | 0 | 0 | 113.9 | L177 R189 K219 L220 I221 K295 | L177-E223 HydrophobicContact CD1-CB 3.95Å; L177-E223 WeakPolarHBondContact CD1-OE2 3.35Å; L177-E223 HydrophobicContact CD2-CB 4.15Å; R189-E223 PolarHBondContact NH2-O 2.89Å; K219-E223 PolarHBondContact O-N 3.01Å; L220-E223 WeakPolarHBondContact O-CB 3.42Å; L220-E223 PolarHBondContact O-N 3.41Å; I221-E223 PolarHBondContact O-N 3.46Å; E223-K295 HydrophobicContact CG-CD 3.95Å |
| 224 | L | 63 | Low | 59.8 | Low | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.005 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -67.8 | -41.5 | 174 | -70.8 | 176.5 | 0 | 0 | 0 | 113.2 | V173 Y176 L177 R189 V193 L197 L220 I221 | V173-L224 HydrophobicContact CG1-CD1 3.67Å; V173-L224 HydrophobicContact CG1-CD2 4.3Å; V173-L224 HydrophobicContact CG1-CG 3.9Å; Y176-L224 HydrophobicContact CD1-CD2 3.21Å; Y176-L224 HydrophobicContact CE1-CD2 3.45Å; Y176-L224 VanDerWaalsContact CE1-CD2 3.45Å; Y176-L224 HydrophobicContact CG-CD2 4.31Å; L177-L224 HydrophobicContact CD2-CD2 3.64Å; L177-L224 HydrophobicContact CD2-CG 4.24Å; L177-L224 HydrophobicContact CG-CD2 3.94Å; R189-L224 PolarHBondContact NE-O 3.31Å; R189-L224 VanDerWaalsContact NE-O 3.14Å; R189-L224 VanDerWaalsContact NH2-CA 3.35Å; V193-L224 HydrophobicContact CG2-CB 3.79Å; L197-L224 HydrophobicContact CD1-CD1 3.71Å; L220-L224 WeakPolarHBondContact O-CG 2.99Å; L220-L224 PolarHBondContact O-N 2.93Å; I221-L224 WeakPolarHBondContact O-CA 3.05Å; I221-L224 VanDerWaalsContact O-CB 3.31Å; I221-L224 WeakPolarHBondContact O-CB 3.48Å; I221-L224 PolarHBondContact O-N 3.46Å |
| 225 | I | 57.8 | Low | 59.8 | Low | 9 Ų | 9 | 38.6 Ų | 38.6 | 5% | 0.046 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -70.8 | -54 | -176.9 | -58.5 | 163.9 | 0 | 0 | 0 | 110.2 | F190 V193 I198 I221 A222 L288 | F190-I225 WeakPolarHBondContact CD2-O 3.12Å; F190-I225 HydrophobicContact CE1-CG2 4.3Å; F190-I225 HydrophobicContact CE2-CG2 3.91Å; F190-I225 WeakPolarHBondContact CE2-O 3.25Å; F190-I225 HydrophobicContact CZ-CG2 3.59Å; V193-I225 HydrophobicContact CB-CG1 4.5Å; V193-I225 HydrophobicContact CG1-CB 4.43Å; V193-I225 HydrophobicContact CG1-CD1 4.18Å; V193-I225 HydrophobicContact CG1-CG1 3.31Å; I198-I225 HydrophobicContact CD1-CD1 4.22Å; I198-I225 HydrophobicContact CG1-CD1 4.41Å; I221-I225 HydrophobicContact CG2-CD1 3.88Å; I221-I225 HydrophobicContact CG2-CG1 4.33Å; I221-I225 WeakPolarHBondContact O-CG1 3.49Å; I221-I225 PolarHBondContact O-N 3.46Å; A222-I225 PolarHBondContact O-N 3.26Å; I225-L288 HydrophobicContact CD1-CD1 4.28Å; I225-L288 HydrophobicContact CD1-CD2 4.49Å |
| 226 | F | 58.2 | Low | 59.9 | Low | 23 Ų | 23 | 34.2 Ų | 34.2 | 10% | 0.101 | 18% | 0.183 | C | C | . | . | trans | -111.1 | 123.9 | -164.4 | -71.9 | -75.4 | 0 | 0 | 0 | 116.3 | A222 F292 K295 F296 F310 | A222-F226 PolarHBondContact O-N 3.33Å; F226-F292 HydrophobicContact CB-CD2 3.71Å; F226-F292 HydrophobicContact CB-CE2 3.29Å; F226-F292 HydrophobicContact CB-CZ 4.26Å; F226-F292 HydrophobicContact CD1-CE2 4.04Å; F226-F292 HydrophobicContact CD1-CZ 4.24Å; F226-F292 AromaticContact CD2-CD2 3.75Å; F226-F292 HydrophobicContact CD2-CD2 3.75Å; F226-F292 AromaticContact CD2-CE2 3.79Å; F226-F292 HydrophobicContact CD2-CE2 3.79Å; F226-F292 HydrophobicContact CD2-CG 4.35Å; F226-F292 HydrophobicContact CD2-CZ 4.38Å; F226-F292 AromaticContact CG-CD2 3.85Å; F226-F292 HydrophobicContact CG-CD2 3.85Å; F226-F292 AromaticContact CG-CE2 3.43Å; F226-F292 HydrophobicContact CG-CE2 3.43Å; F226-F292 VanDerWaalsContact CG-CE2 3.43Å; F226-F292 HydrophobicContact CG-CZ 4.03Å; F226-K295 PolarHBondContact O-NZ 3.33Å; F226-F296 HydrophobicContact CB-CE2 4.23Å; F226-F310 HydrophobicContact CE1-CD2 4.08Å; F226-F310 HydrophobicContact CE1-CE2 4.39Å; F226-F310 AromaticContact CE2-CD2 3.71Å; F226-F310 HydrophobicContact CE2-CD2 3.71Å; F226-F310 HydrophobicContact CE2-CE1 4.34Å; F226-F310 AromaticContact CE2-CE2 3.37Å; F226-F310 HydrophobicContact CE2-CE2 3.37Å; F226-F310 HydrophobicContact CE2-CG 4.35Å; F226-F310 AromaticContact CE2-CZ 3.69Å; F226-F310 HydrophobicContact CE2-CZ 3.69Å; F226-F310 AromaticContact CZ-CD2 3.22Å; F226-F310 HydrophobicContact CZ-CD2 3.22Å; F226-F310 AromaticContact CZ-CE2 3.19Å; F226-F310 HydrophobicContact CZ-CE2 3.19Å; F226-F310 HydrophobicContact CZ-CG 4.12Å; F226-F310 HydrophobicContact CZ-CZ 4.02Å | ||
| 227 | D | 56.7 | Low | 60 | Low | 67 Ų | 67 | 29.6 Ų | 29.6 | 36% | 0.358 | 16% | 0.161 | S | C | . | . | trans | -115.8 | 146.6 | 163.6 | -172.3 | 4.3 | 0 | 0 | 0 | 108.6 | K186 A229 Y230 | K186-D227 IonicContact NZ-OD2 3.91Å; D227-A229 PolarHBondContact O-N 2.65Å; D227-Y230 HydrophobicContact CB-CD2 4.28Å; D227-Y230 HydrophobicContact CB-CE2 3.97Å; D227-Y230 WeakPolarHBondContact O-CD2 3.35Å; D227-Y230 PolarHBondContact O-N 3.19Å | ||
| 228 | V | 53.7 | Low | 59.9 | Low | 62 Ų | 62 | 31 Ų | 31 | 38% | 0.376 | 17% | 0.168 | S | C | . | . | G | 310 helix | trans | -54.5 | -26 | -172.5 | 178.1 | 0 | 0 | 0 | 0 | 112.3 | Y230 A231 F296 | V228-Y230 PolarHBondContact O-N 2.92Å; V228-Y230 VanDerWaalsContact O-N 3.13Å; V228-A231 PolarHBondContact O-N 3.07Å; V228-F296 HydrophobicContact CG2-CD1 4.48Å; V228-F296 HydrophobicContact CG2-CE1 3.59Å; V228-F296 HydrophobicContact CG2-CZ 4.34Å |
| 229 | A | 54.6 | Low | 60 | Low | 46 Ų | 46 | 34.7 Ų | 34.7 | 38% | 0.38 | 19% | 0.194 | S | C | . | . | G | 310 helix | trans | -60.1 | -20.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | D227 A231 | D227-A229 PolarHBondContact O-N 2.65Å; A229-A231 PolarHBondContact O-N 3.45Å |
| 230 | Y | 56.3 | Low | 60.2 | Low | 30 Ų | 30 | 29.8 Ų | 29.8 | 12% | 0.118 | 17% | 0.174 | C | C | . | . | G | 310 helix | trans | -80.8 | -10 | -175.2 | -62.7 | -66.4 | 0 | 0 | 0 | 114.9 | K186 F190 D227 V228 N232 D233 Y234 A260 | K186-Y230 PolarHBondContact O-OH 3.41Å; F190-Y230 HydrophobicContact CD2-CD1 4.48Å; F190-Y230 HydrophobicContact CD2-CD2 4.14Å; F190-Y230 AromaticContact CD2-CE1 3.88Å; F190-Y230 HydrophobicContact CD2-CE1 3.88Å; F190-Y230 AromaticContact CD2-CE2 3.52Å; F190-Y230 HydrophobicContact CD2-CE2 3.52Å; F190-Y230 AromaticContact CD2-CZ 3.36Å; F190-Y230 WeakPolarHBondContact CD2-OH 3.4Å; F190-Y230 HydrophobicContact CE2-CD1 4.46Å; F190-Y230 AromaticContact CE2-CD2 3.89Å; F190-Y230 HydrophobicContact CE2-CD2 3.89Å; F190-Y230 HydrophobicContact CE2-CE1 4.3Å; F190-Y230 AromaticContact CE2-CE2 3.74Å; F190-Y230 HydrophobicContact CE2-CE2 3.74Å; F190-Y230 HydrophobicContact CE2-CG 4.26Å; F190-Y230 AromaticContact CE2-CZ 3.95Å; D227-Y230 HydrophobicContact CB-CD2 4.28Å; D227-Y230 HydrophobicContact CB-CE2 3.97Å; D227-Y230 WeakPolarHBondContact O-CD2 3.35Å; D227-Y230 PolarHBondContact O-N 3.19Å; V228-Y230 PolarHBondContact O-N 2.92Å; V228-Y230 VanDerWaalsContact O-N 3.13Å; Y230-N232 PolarHBondContact O-N 3.29Å; Y230-D233 PolarHBondContact O-N 3.49Å; Y230-Y234 PolarHBondContact O-N 3.03Å; Y230-A260 HydrophobicContact CD1-CB 3.99Å |
| 231 | A | 52.8 | Low | 60.3 | Low | 5 Ų | 5 | 32.1 Ų | 32.1 | 4% | 0.041 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -56.4 | -52.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | V228 A229 D233 Y234 C306 | V228-A231 PolarHBondContact O-N 3.07Å; A229-A231 PolarHBondContact O-N 3.45Å; A231-D233 PolarHBondContact O-N 3.07Å; A231-Y234 PolarHBondContact O-N 3.27Å; A231-Y234 VanDerWaalsContact O-N 3.1Å; A231-C306 HydrophobicContact CB-CB 4.38Å; A231-C306 WeakPolarHBondContact CB-SG 3.44Å |
| 232 | N | 55.5 | Low | 60.4 | Low | 98 Ų | 98 | 40.5 Ų | 40.5 | 52% | 0.524 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -64.2 | -31.6 | -174.8 | -66.9 | -10.2 | 0 | 0 | 0 | 111.8 | Y230 Y234 M302 | Y230-N232 PolarHBondContact O-N 3.29Å; N232-Y234 VanDerWaalsContact C-N 3.34Å; N232-M302 WeakPolarHBondContact OD1-CE 3.48Å |
| 233 | D | 61.2 | Low | 60.7 | Low | 23 Ų | 23 | 47.9 Ų | 47.9 | 12% | 0.123 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -68.3 | -33.3 | 177.8 | -87.1 | 13.7 | 0 | 0 | 0 | 111.6 | Y230 A231 Y237 H258 A260 W261 | Y230-D233 PolarHBondContact O-N 3.49Å; A231-D233 PolarHBondContact O-N 3.07Å; D233-Y237 WeakPolarHBondContact O-CB 3.28Å; D233-Y237 PolarHBondContact O-N 3.14Å; D233-H258 IonicContact OD1-CE1 3.72Å; D233-H258 IonicContact OD1-CG 3.64Å; D233-H258 IonicContact OD1-ND1 2.89Å; D233-H258 PolarHBondContact OD1-ND1 3.43Å; D233-H258 VanDerWaalsContact OD2-CA 3.31Å; D233-H258 WeakPolarHBondContact OD2-CA 3.22Å; D233-A260 HydrophobicContact CB-CB 3.82Å; D233-A260 WeakPolarHBondContact OD2-CB 3.46Å; D233-A260 PolarHBondContact OD2-N 2.94Å; D233-W261 VanDerWaalsContact O-CD1 3.3Å; D233-W261 PolarHBondContact O-NE1 2.99Å |
| 234 | Y | 56.5 | Low | 61.1 | Low | 8 Ų | 8 | 46.3 Ų | 46.3 | 3% | 0.031 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -74.3 | -40.6 | -174.9 | -178.1 | -84.3 | 0 | 0 | 0 | 113.1 | Y230 A231 N232 A236 Y237 L238 F264 L309 Y313 | Y230-Y234 PolarHBondContact O-N 3.03Å; A231-Y234 PolarHBondContact O-N 3.27Å; A231-Y234 VanDerWaalsContact O-N 3.1Å; N232-Y234 VanDerWaalsContact C-N 3.34Å; Y234-A236 VanDerWaalsContact C-N 3.31Å; Y234-A236 PolarHBondContact O-N 2.83Å; Y234-Y237 WeakPolarHBondContact O-CA 3.27Å; Y234-Y237 VanDerWaalsContact O-CB 3.26Å; Y234-Y237 WeakPolarHBondContact O-CB 3.23Å; Y234-Y237 PolarHBondContact O-N 3.4Å; Y234-Y237 VanDerWaalsContact O-N 3.09Å; Y234-L238 HydrophobicContact CD1-CD1 3.96Å; Y234-L238 HydrophobicContact CD1-CG 3.98Å; Y234-L238 HydrophobicContact CE1-CD1 3.34Å; Y234-L238 HydrophobicContact CE1-CD2 4.04Å; Y234-L238 HydrophobicContact CE1-CG 3.58Å; Y234-L238 PolarHBondContact O-N 3.18Å; Y234-F264 HydrophobicContact CD2-CD1 4.08Å; Y234-F264 AromaticContact CD2-CD2 3.95Å; Y234-F264 HydrophobicContact CD2-CD2 3.95Å; Y234-F264 AromaticContact CD2-CE1 3.71Å; Y234-F264 HydrophobicContact CD2-CE1 3.71Å; Y234-F264 AromaticContact CD2-CE2 3.57Å; Y234-F264 HydrophobicContact CD2-CE2 3.57Å; Y234-F264 HydrophobicContact CD2-CG 4.23Å; Y234-F264 AromaticContact CD2-CZ 3.46Å; Y234-F264 HydrophobicContact CD2-CZ 3.46Å; Y234-F264 VanDerWaalsContact CD2-CZ 3.46Å; Y234-F264 HydrophobicContact CE2-CD1 4.43Å; Y234-F264 HydrophobicContact CE2-CE1 4.36Å; Y234-F264 HydrophobicContact CG-CE2 4.12Å; Y234-F264 HydrophobicContact CG-CZ 4.12Å; Y234-L309 HydrophobicContact CD1-CB 3.42Å; Y234-L309 VanDerWaalsContact CD1-CB 3.42Å; Y234-L309 HydrophobicContact CD1-CD1 3.73Å; Y234-L309 HydrophobicContact CD1-CD2 3.42Å; Y234-L309 VanDerWaalsContact CD1-CD2 3.42Å; Y234-L309 HydrophobicContact CD1-CG 3.63Å; Y234-L309 HydrophobicContact CE1-CB 3.58Å; Y234-L309 HydrophobicContact CE1-CD2 3.45Å; Y234-L309 VanDerWaalsContact CE1-CD2 3.45Å; Y234-L309 HydrophobicContact CE1-CG 3.95Å; Y234-L309 HydrophobicContact CG-CB 4Å; Y234-L309 HydrophobicContact CG-CD1 4.34Å; Y234-L309 HydrophobicContact CG-CG 4.5Å; Y234-L309 VanDerWaalsContact CZ-O 3.23Å; Y234-L309 PolarHBondContact OH-O 2.88Å; Y234-Y313 AromaticContact CE2-CD2 3.82Å; Y234-Y313 HydrophobicContact CE2-CD2 3.82Å; Y234-Y313 HydrophobicContact CE2-CG 4.12Å; Y234-Y313 PolarHBondContact OH-N 3.07Å |
| 235 | D | 57 | Low | 61.7 | Low | 40 Ų | 40 | 51.3 Ų | 51.3 | 21% | 0.214 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -59.2 | -47.1 | 174.5 | -77.3 | -28 | 0 | 0 | 0 | 110.8 | Y237 L238 C239 R305 L309 | D235-Y237 PolarHBondContact O-N 3.4Å; D235-L238 PolarHBondContact O-N 3.43Å; D235-C239 PolarHBondContact O-N 2.88Å; D235-R305 IonicContact OD1-NH2 2.67Å; D235-R305 IonicContact OD2-CZ 2.56Å; D235-R305 IonicContact OD2-NE 3.46Å; D235-R305 PolarHBondContact OD2-NE 3.45Å; D235-R305 IonicContact OD2-NH2 3.91Å; D235-R305 PolarHBondContact OD2-NH2 2.88Å; D235-L309 WeakPolarHBondContact OD1-CD1 3.27Å; D235-L309 VanDerWaalsContact OD1-CD2 3.25Å; D235-L309 WeakPolarHBondContact OD1-CD2 3.42Å |
| 236 | A | 64.5 | Low | 62.3 | Low | 29 Ų | 29 | 54.3 Ų | 54.3 | 24% | 0.24 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -63 | -33.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y234 A240 W261 | Y234-A236 VanDerWaalsContact C-N 3.31Å; Y234-A236 PolarHBondContact O-N 2.83Å; A236-A240 WeakPolarHBondContact O-CB 3.35Å; A236-A240 PolarHBondContact O-N 3.28Å; A236-A240 VanDerWaalsContact O-N 3.12Å; A236-W261 HydrophobicContact CB-CZ2 3.56Å; A236-W261 WeakPolarHBondContact O-CZ2 3.41Å |
| 237 | Y | 64.8 | Low | 63.1 | Low | 1 Ų | 1 | 60.8 Ų | 60.8 | 0% | 0.004 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -63.7 | -46.5 | 174.6 | 175.3 | -106.9 | 0 | 0 | 0 | 112.1 | D233 Y234 D235 C239 A240 R241 R249 W261 F264 D265 E268 | D233-Y237 WeakPolarHBondContact O-CB 3.28Å; D233-Y237 PolarHBondContact O-N 3.14Å; Y234-Y237 WeakPolarHBondContact O-CA 3.27Å; Y234-Y237 VanDerWaalsContact O-CB 3.26Å; Y234-Y237 WeakPolarHBondContact O-CB 3.23Å; Y234-Y237 PolarHBondContact O-N 3.4Å; Y234-Y237 VanDerWaalsContact O-N 3.09Å; D235-Y237 PolarHBondContact O-N 3.4Å; Y237-C239 VanDerWaalsContact C-N 3.33Å; Y237-C239 PolarHBondContact O-N 3.43Å; Y237-A240 PolarHBondContact O-N 3.45Å; Y237-R241 VanDerWaalsContact O-CB 3.3Å; Y237-R241 WeakPolarHBondContact O-CB 3.34Å; Y237-R241 PolarHBondContact O-N 3.07Å; Y237-R249 PolarHBondContact OH-NH1 3.47Å; Y237-R249 VanDerWaalsContact OH-NH1 3.07Å; Y237-W261 VanDerWaalsContact CA-CE2 3.46Å; Y237-W261 VanDerWaalsContact CA-NE1 3.34Å; Y237-W261 VanDerWaalsContact CB-CD1 3.42Å; Y237-W261 HydrophobicContact CD2-CB 3.54Å; Y237-W261 AromaticContact CD2-CD1 3.86Å; Y237-W261 HydrophobicContact CD2-CD2 4.07Å; Y237-W261 AromaticContact CD2-CG 3.54Å; Y237-W261 HydrophobicContact CD2-CG 3.54Å; Y237-W261 HydrophobicContact CE2-CB 4.1Å; Y237-W261 WeakPolarHBondContact CE2-O 3.47Å; Y237-W261 HydrophobicContact CG-CG 4.21Å; Y237-W261 VanDerWaalsContact N-NE1 3.16Å; Y237-F264 HydrophobicContact CD1-CB 3.78Å; Y237-F264 AromaticContact CD1-CD2 3.6Å; Y237-F264 HydrophobicContact CD1-CD2 3.6Å; Y237-F264 AromaticContact CD1-CG 3.97Å; Y237-F264 HydrophobicContact CD1-CG 3.97Å; Y237-F264 HydrophobicContact CD2-CB 4.12Å; Y237-F264 AromaticContact CD2-CD2 3.93Å; Y237-F264 HydrophobicContact CD2-CD2 3.93Å; Y237-F264 HydrophobicContact CE1-CB 3.34Å; Y237-F264 HydrophobicContact CE1-CD2 4.1Å; Y237-F264 HydrophobicContact CE1-CG 4.02Å; Y237-F264 HydrophobicContact CE2-CB 3.66Å; Y237-F264 HydrophobicContact CE2-CD2 4.35Å; Y237-F264 HydrophobicContact CG-CB 4.15Å; Y237-F264 AromaticContact CG-CD2 3.5Å; Y237-F264 HydrophobicContact CG-CD2 3.5Å; Y237-F264 HydrophobicContact CG-CE2 4.37Å; Y237-F264 HydrophobicContact CG-CG 4.24Å; Y237-D265 WeakPolarHBondContact CE2-OD1 3.12Å; Y237-D265 VanDerWaalsContact CZ-OD1 3.3Å; Y237-D265 PolarHBondContact OH-N 2.93Å; Y237-D265 PolarHBondContact OH-OD1 3.39Å; Y237-E268 PolarHBondContact OH-OE2 2.81Å |
| 238 | L | 61.7 | Low | 64 | Low | 31 Ų | 31 | 63.3 Ų | 63.3 | 16% | 0.162 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -60.4 | -43.1 | -179.1 | -74.4 | -173.8 | 0 | 0 | 0 | 111.7 | Y234 D235 R241 K242 R316 | Y234-L238 HydrophobicContact CD1-CD1 3.96Å; Y234-L238 HydrophobicContact CD1-CG 3.98Å; Y234-L238 HydrophobicContact CE1-CD1 3.34Å; Y234-L238 HydrophobicContact CE1-CD2 4.04Å; Y234-L238 HydrophobicContact CE1-CG 3.58Å; Y234-L238 PolarHBondContact O-N 3.18Å; D235-L238 PolarHBondContact O-N 3.43Å; L238-R241 PolarHBondContact O-N 2.68Å; L238-K242 PolarHBondContact O-N 3.38Å; L238-R316 VanDerWaalsContact CD2-NH1 3.27Å |
| 239 | C | 65.3 | Low | 65.3 | Low | 81 Ų | 81 | 61.2 Ų | 61.2 | 55% | 0.547 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -60.7 | -52.2 | 174.6 | -62.5 | 0 | 0 | 0 | 0 | 111.1 | D235 Y237 R241 K242 | D235-C239 PolarHBondContact O-N 2.88Å; Y237-C239 VanDerWaalsContact C-N 3.33Å; Y237-C239 PolarHBondContact O-N 3.43Å; C239-R241 PolarHBondContact O-N 2.82Å; C239-K242 PolarHBondContact O-N 3.1Å |
| 240 | A | 67.1 | Low | 66 | Low | 8 Ų | 8 | 60.1 Ų | 60.1 | 7% | 0.066 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -67.4 | -22 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | A236 Y237 V244 R249 W261 | A236-A240 WeakPolarHBondContact O-CB 3.35Å; A236-A240 PolarHBondContact O-N 3.28Å; A236-A240 VanDerWaalsContact O-N 3.12Å; Y237-A240 PolarHBondContact O-N 3.45Å; A240-V244 VanDerWaalsContact O-CB 3.27Å; A240-V244 WeakPolarHBondContact O-CB 3.46Å; A240-V244 WeakPolarHBondContact O-CG2 3.38Å; A240-V244 PolarHBondContact O-N 3.19Å; A240-R249 HydrophobicContact CB-CG 4.29Å; A240-W261 HydrophobicContact CB-CE3 4Å; A240-W261 HydrophobicContact CB-CH2 3.27Å; A240-W261 HydrophobicContact CB-CZ2 4.1Å; A240-W261 HydrophobicContact CB-CZ3 3.19Å |
| 241 | R | 67 | Low | 66.9 | Low | 60 Ų | 60 | 66.2 Ų | 66.2 | 23% | 0.226 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -67.5 | -41.5 | 176.5 | 167.3 | 169.6 | 172.1 | 173.9 | -2.6 | 112.6 | Y237 L238 C239 E243 R249 E268 | Y237-R241 VanDerWaalsContact O-CB 3.3Å; Y237-R241 WeakPolarHBondContact O-CB 3.34Å; Y237-R241 PolarHBondContact O-N 3.07Å; L238-R241 PolarHBondContact O-N 2.68Å; C239-R241 PolarHBondContact O-N 2.82Å; R241-E243 VanDerWaalsContact C-N 3.3Å; R241-E243 PolarHBondContact O-N 3.37Å; R241-R249 VanDerWaalsContact CB-CZ 3.47Å; R241-R249 PolarHBondContact O-NH2 2.91Å; R241-E268 IonicContact CZ-OE1 3.32Å; R241-E268 IonicContact CZ-OE2 2.83Å; R241-E268 IonicContact NE-OE1 3.22Å; R241-E268 IonicContact NE-OE2 2.7Å; R241-E268 IonicContact NH1-OE1 3.74Å; R241-E268 PolarHBondContact NH1-OE1 3.49Å; R241-E268 IonicContact NH1-OE2 3.66Å; R241-E268 PolarHBondContact NH1-OE2 3.18Å; R241-E268 IonicContact NH2-OE1 3.54Å; R241-E268 PolarHBondContact NH2-OE1 3.37Å; R241-E268 IonicContact NH2-OE2 2.68Å |
| 242 | K | 65.3 | Low | 68 | Low | 180 Ų | 180 | 68.4 Ų | 68.4 | 78% | 0.783 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -67.2 | -32.3 | 178.6 | -69.7 | -175.1 | 177.5 | -179.6 | 0 | 111.9 | L238 C239 | L238-K242 PolarHBondContact O-N 3.38Å; C239-K242 PolarHBondContact O-N 3.1Å |
| 243 | E | 71.3 | Confident | 68.7 | Low | 158 Ų | 158 | 63.8 Ų | 63.8 | 74% | 0.738 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -94.6 | -20 | -172.8 | -64.6 | 177.7 | 179.9 | 0 | 0 | 114.4 | R241 | R241-E243 VanDerWaalsContact C-N 3.3Å; R241-E243 PolarHBondContact O-N 3.37Å |
| 244 | V | 73.5 | Confident | 69.1 | Low | 13 Ų | 13 | 68.4 Ų | 68.4 | 8% | 0.079 | 33% | 0.334 | C | S | . | . | S | Bend | trans | -142.2 | 132.6 | -161.8 | -146.5 | 0 | 0 | 0 | 0 | 113 | A240 K248 R249 I252 | A240-V244 VanDerWaalsContact O-CB 3.27Å; A240-V244 WeakPolarHBondContact O-CB 3.46Å; A240-V244 WeakPolarHBondContact O-CG2 3.38Å; A240-V244 PolarHBondContact O-N 3.19Å; V244-K248 HydrophobicContact CG1-CB 3.44Å; V244-K248 VanDerWaalsContact CG1-CB 3.44Å; V244-K248 HydrophobicContact CG1-CD 3.33Å; V244-K248 HydrophobicContact CG1-CG 3.27Å; V244-R249 HydrophobicContact CB-CB 4.48Å; V244-R249 PolarHBondContact O-NE 2.92Å; V244-R249 PolarHBondContact O-NH2 3.22Å; V244-I252 HydrophobicContact CB-CD1 4.37Å; V244-I252 HydrophobicContact CG1-CD1 3.92Å; V244-I252 HydrophobicContact CG2-CD1 3.83Å |
| 245 | N | 75.8 | Confident | 69.9 | Low | 106 Ų | 106 | 78.5 Ų | 78.5 | 57% | 0.567 | 37% | 0.372 | S | S | * | . | trans | -62.6 | 158.6 | 173.2 | 71.2 | 25.3 | 0 | 0 | 0 | 112.5 | K247 K248 R249 | N245-K247 VanDerWaalsContact C-N 3.3Å; N245-K247 PolarHBondContact O-N 2.89Å; N245-K247 PolarHBondContact OD1-N 3.09Å; N245-K248 PolarHBondContact O-N 2.92Å; N245-K248 VanDerWaalsContact O-N 3.07Å; N245-K248 VanDerWaalsContact OD1-CB 3.25Å; N245-K248 WeakPolarHBondContact OD1-CB 3.43Å; N245-K248 PolarHBondContact OD1-N 2.99Å; N245-R249 VanDerWaalsContact O-CB 3.32Å; N245-R249 WeakPolarHBondContact O-CB 3.42Å; N245-R249 PolarHBondContact O-N 3.04Å | ||
| 246 | S | 69.8 | Low | 70.6 | Confident | 71 Ų | 71 | 80.2 Ų | 80.2 | 50% | 0.497 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -52.2 | -43 | -175.8 | 59.5 | 0 | 0 | 0 | 0 | 113.4 | K248 R249 A250 | S246-K248 PolarHBondContact O-N 3.22Å; S246-R249 PolarHBondContact O-N 3.36Å; S246-A250 VanDerWaalsContact O-CB 3.32Å; S246-A250 WeakPolarHBondContact O-CB 3.38Å; S246-A250 PolarHBondContact O-N 2.94Å |
| 247 | K | 74 | Confident | 70.5 | Confident | 159 Ų | 159 | 80.7 Ų | 80.7 | 69% | 0.691 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -62.1 | -45.2 | 177.8 | -76.4 | -175.1 | -179.3 | 175.4 | 0 | 112.7 | N245 R251 | N245-K247 VanDerWaalsContact C-N 3.3Å; N245-K247 PolarHBondContact O-N 2.89Å; N245-K247 PolarHBondContact OD1-N 3.09Å; K247-R251 WeakPolarHBondContact O-CG 3.48Å; K247-R251 PolarHBondContact O-N 3.31Å |
| 248 | K | 76.8 | Confident | 70.8 | Confident | 120 Ų | 120 | 83 Ų | 83 | 52% | 0.522 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -79 | -31.7 | -178 | -178.3 | -174.3 | 165.2 | -168 | 0 | 110.7 | V244 N245 S246 R251 I252 | V244-K248 HydrophobicContact CG1-CB 3.44Å; V244-K248 VanDerWaalsContact CG1-CB 3.44Å; V244-K248 HydrophobicContact CG1-CD 3.33Å; V244-K248 HydrophobicContact CG1-CG 3.27Å; N245-K248 PolarHBondContact O-N 2.92Å; N245-K248 VanDerWaalsContact O-N 3.07Å; N245-K248 VanDerWaalsContact OD1-CB 3.25Å; N245-K248 WeakPolarHBondContact OD1-CB 3.43Å; N245-K248 PolarHBondContact OD1-N 2.99Å; S246-K248 PolarHBondContact O-N 3.22Å; K248-R251 WeakPolarHBondContact O-CB 3.19Å; K248-R251 PolarHBondContact O-N 2.84Å; K248-I252 HydrophobicContact CG-CD1 4.44Å; K248-I252 VanDerWaalsContact O-CG1 3.31Å; K248-I252 WeakPolarHBondContact O-CG1 3.1Å; K248-I252 PolarHBondContact O-N 2.91Å |
| 249 | R | 79.9 | Confident | 70.7 | Confident | 19 Ų | 19 | 85.2 Ų | 85.2 | 7% | 0.072 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -61.5 | -45.9 | 169.4 | -164.3 | -173.7 | -46 | 165.2 | 1.9 | 112.2 | Y237 A240 R241 V244 N245 S246 R251 I252 A253 W261 D265 | Y237-R249 PolarHBondContact OH-NH1 3.47Å; Y237-R249 VanDerWaalsContact OH-NH1 3.07Å; A240-R249 HydrophobicContact CB-CG 4.29Å; R241-R249 VanDerWaalsContact CB-CZ 3.47Å; R241-R249 PolarHBondContact O-NH2 2.91Å; V244-R249 HydrophobicContact CB-CB 4.48Å; V244-R249 PolarHBondContact O-NE 2.92Å; V244-R249 PolarHBondContact O-NH2 3.22Å; N245-R249 VanDerWaalsContact O-CB 3.32Å; N245-R249 WeakPolarHBondContact O-CB 3.42Å; N245-R249 PolarHBondContact O-N 3.04Å; S246-R249 PolarHBondContact O-N 3.36Å; R249-R251 VanDerWaalsContact C-N 3.28Å; R249-R251 PolarHBondContact O-N 3.3Å; R249-I252 PolarHBondContact O-N 3.24Å; R249-I252 VanDerWaalsContact O-N 3.15Å; R249-A253 VanDerWaalsContact O-CB 3.29Å; R249-A253 WeakPolarHBondContact O-CB 3.25Å; R249-A253 PolarHBondContact O-N 3.38Å; R249-W261 HydrophobicContact CG-CE3 3.65Å; R249-W261 HydrophobicContact CG-CZ3 4.15Å; R249-D265 IonicContact CZ-OD1 3.55Å; R249-D265 IonicContact NE-OD1 3.93Å; R249-D265 IonicContact NH1-OD1 2.68Å; R249-D265 PolarHBondContact NH1-OD1 3.36Å |
| 250 | A | 69.8 | Low | 70.5 | Confident | 22 Ų | 22 | 81.5 Ų | 81.5 | 18% | 0.182 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -61.4 | -34.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | S246 K254 M262 | S246-A250 VanDerWaalsContact O-CB 3.32Å; S246-A250 WeakPolarHBondContact O-CB 3.38Å; S246-A250 PolarHBondContact O-N 2.94Å; A250-K254 WeakPolarHBondContact O-CG 3.07Å; A250-K254 PolarHBondContact O-N 3.17Å; A250-K254 VanDerWaalsContact O-N 3.16Å; A250-M262 HydrophobicContact CB-CG 4.04Å |
| 251 | R | 74.8 | Confident | 70.6 | Confident | 159 Ų | 159 | 81.6 Ų | 81.6 | 60% | 0.6 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -69.3 | -42.6 | 172.9 | -69 | 177 | -159.6 | 174.5 | 3.7 | 111.9 | K247 K248 R249 K254 R255 | K247-R251 WeakPolarHBondContact O-CG 3.48Å; K247-R251 PolarHBondContact O-N 3.31Å; K248-R251 WeakPolarHBondContact O-CB 3.19Å; K248-R251 PolarHBondContact O-N 2.84Å; R249-R251 VanDerWaalsContact C-N 3.28Å; R249-R251 PolarHBondContact O-N 3.3Å; R251-K254 PolarHBondContact O-N 2.88Å; R251-R255 WeakPolarHBondContact O-CG 3.36Å; R251-R255 PolarHBondContact O-N 3.09Å; R251-R255 VanDerWaalsContact O-N 3.13Å |
| 252 | I | 76.1 | Confident | 70.4 | Confident | 51 Ų | 51 | 81.9 Ų | 81.9 | 26% | 0.262 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -62.5 | -51.8 | 176.9 | -67 | 164.1 | 0 | 0 | 0 | 109.5 | V244 K248 R249 K254 R255 T256 W261 | V244-I252 HydrophobicContact CB-CD1 4.37Å; V244-I252 HydrophobicContact CG1-CD1 3.92Å; V244-I252 HydrophobicContact CG2-CD1 3.83Å; K248-I252 HydrophobicContact CG-CD1 4.44Å; K248-I252 VanDerWaalsContact O-CG1 3.31Å; K248-I252 WeakPolarHBondContact O-CG1 3.1Å; K248-I252 PolarHBondContact O-N 2.91Å; R249-I252 PolarHBondContact O-N 3.24Å; R249-I252 VanDerWaalsContact O-N 3.15Å; I252-K254 VanDerWaalsContact C-N 3.27Å; I252-K254 PolarHBondContact O-N 3.41Å; I252-R255 CarbonylContact O-C 3.56Å; I252-R255 WeakPolarHBondContact O-CA 3.24Å; I252-R255 WeakPolarHBondContact O-CB 3.18Å; I252-R255 PolarHBondContact O-N 2.81Å; I252-T256 HydrophobicContact CG2-CG2 4.01Å; I252-T256 PolarHBondContact O-N 2.69Å; I252-T256 PolarHBondContact O-OG1 3.08Å; I252-W261 HydrophobicContact CB-CZ3 4.03Å; I252-W261 HydrophobicContact CG2-CH2 3.95Å; I252-W261 HydrophobicContact CG2-CZ3 3.53Å |
| 253 | A | 70.3 | Confident | 70 | Confident | 0 Ų | 0 | 74 Ų | 74 | 0% | 0 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -48.6 | -46.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113 | R249 R255 G257 H258 W261 M262 | R249-A253 VanDerWaalsContact O-CB 3.29Å; R249-A253 WeakPolarHBondContact O-CB 3.25Å; R249-A253 PolarHBondContact O-N 3.38Å; A253-R255 VanDerWaalsContact C-N 3.34Å; A253-R255 PolarHBondContact O-N 3.4Å; A253-G257 CarbonylContact O-C 3.52Å; A253-G257 WeakPolarHBondContact O-CA 3.27Å; A253-G257 PolarHBondContact O-N 2.86Å; A253-H258 WeakPolarHBondContact CB-O 3.43Å; A253-H258 PolarHBondContact O-N 3.02Å; A253-W261 HydrophobicContact CB-CB 3.67Å; A253-W261 HydrophobicContact CB-CD2 4.05Å; A253-W261 HydrophobicContact CB-CE3 3.8Å; A253-W261 HydrophobicContact CB-CG 4.04Å; A253-M262 HydrophobicContact CB-CG 4.48Å |
| 254 | K | 70.4 | Confident | 69.7 | Low | 121 Ų | 121 | 67 Ų | 67 | 53% | 0.526 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -64.3 | -36.8 | 176.5 | -76.5 | -178.5 | -179.2 | -174.5 | 0 | 112.9 | A250 R251 I252 Y259 M262 | A250-K254 WeakPolarHBondContact O-CG 3.07Å; A250-K254 PolarHBondContact O-N 3.17Å; A250-K254 VanDerWaalsContact O-N 3.16Å; R251-K254 PolarHBondContact O-N 2.88Å; I252-K254 VanDerWaalsContact C-N 3.27Å; I252-K254 PolarHBondContact O-N 3.41Å; K254-Y259 HydrophobicContact CB-CE1 4.46Å; K254-Y259 HydrophobicContact CG-CE1 3.97Å; K254-Y259 PolarHBondContact O-OH 2.93Å; K254-M262 HydrophobicContact CD-SD 4.41Å; K254-M262 VanDerWaalsContact CE-SD 3.54Å; K254-M262 HydrophobicContact CG-SD 4.07Å |
| 255 | R | 72.7 | Confident | 69.3 | Low | 220 Ų | 220 | 67.1 Ų | 67.1 | 83% | 0.83 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -75.2 | -41 | -179.9 | -74.4 | 177.5 | 178.8 | -172.4 | -2.1 | 112.8 | R251 I252 A253 | R251-R255 WeakPolarHBondContact O-CG 3.36Å; R251-R255 PolarHBondContact O-N 3.09Å; R251-R255 VanDerWaalsContact O-N 3.13Å; I252-R255 CarbonylContact O-C 3.56Å; I252-R255 WeakPolarHBondContact O-CA 3.24Å; I252-R255 WeakPolarHBondContact O-CB 3.18Å; I252-R255 PolarHBondContact O-N 2.81Å; A253-R255 VanDerWaalsContact C-N 3.34Å; A253-R255 PolarHBondContact O-N 3.4Å |
| 256 | T | 71 | Confident | 68.6 | Low | 76 Ų | 76 | 65.7 Ų | 65.7 | 47% | 0.466 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -87.9 | -13.8 | -176.9 | 52.9 | 0 | 0 | 0 | 0 | 113.2 | I252 H258 | I252-T256 HydrophobicContact CG2-CG2 4.01Å; I252-T256 PolarHBondContact O-N 2.69Å; I252-T256 PolarHBondContact O-OG1 3.08Å; T256-H258 PolarHBondContact OG1-CD2 3.38Å |
| 257 | G | 64.1 | Low | 68 | Low | 39 Ų | 39 | 63.3 Ų | 63.3 | 40% | 0.402 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 89.2 | 6.1 | -179 | 0 | 0 | 0 | 0 | 0 | 114.5 | A253 Y259 | A253-G257 CarbonylContact O-C 3.52Å; A253-G257 WeakPolarHBondContact O-CA 3.27Å; A253-G257 PolarHBondContact O-N 2.86Å; G257-Y259 VanDerWaalsContact C-N 3.33Å; G257-Y259 WeakPolarHBondContact O-CD2 3.48Å; G257-Y259 PolarHBondContact O-N 2.84Å; G257-Y259 VanDerWaalsContact O-N 3.1Å |
| 258 | H | 69.4 | Low | 67.4 | Low | 50 Ų | 50 | 58.3 Ų | 58.3 | 23% | 0.231 | 27% | 0.271 | C | S | . | . | trans | -85.3 | 63.9 | 179.1 | -58.9 | -57.3 | 0 | 0 | 0 | 112.8 | D233 A253 T256 A260 W261 | D233-H258 IonicContact OD1-CE1 3.72Å; D233-H258 IonicContact OD1-CG 3.64Å; D233-H258 IonicContact OD1-ND1 2.89Å; D233-H258 PolarHBondContact OD1-ND1 3.43Å; D233-H258 VanDerWaalsContact OD2-CA 3.31Å; D233-H258 WeakPolarHBondContact OD2-CA 3.22Å; A253-H258 WeakPolarHBondContact CB-O 3.43Å; A253-H258 PolarHBondContact O-N 3.02Å; T256-H258 PolarHBondContact OG1-CD2 3.38Å; H258-A260 PolarHBondContact O-N 2.51Å; H258-W261 HydrophobicContact CB-CD2 3.91Å; H258-W261 VanDerWaalsContact CB-CE2 3.5Å; H258-W261 HydrophobicContact CB-CG 3.96Å; H258-W261 HydrophobicContact CB-CZ2 4.03Å; H258-W261 VanDerWaalsContact CB-NE1 3.32Å; H258-W261 AromaticContact CD2-CE2 3.98Å; H258-W261 AromaticContact CD2-CZ2 3.58Å; H258-W261 AromaticContact CG-CE2 3.94Å; H258-W261 AromaticContact CG-NE1 3.87Å; H258-W261 WeakPolarHBondContact O-CB 3.29Å; H258-W261 VanDerWaalsContact O-CG 3.24Å; H258-W261 PolarHBondContact O-N 2.97Å; H258-W261 VanDerWaalsContact O-N 3.14Å | ||
| 259 | Y | 61.2 | Low | 66.7 | Low | 76 Ų | 76 | 56.2 Ų | 56.2 | 30% | 0.298 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -19.4 | -172.1 | -69.6 | -91 | 0 | 0 | 0 | 114.3 | K187 K254 G257 W261 M262 | K187-Y259 HydrophobicContact CD-CD1 3.75Å; K187-Y259 HydrophobicContact CD-CD2 3.77Å; K187-Y259 HydrophobicContact CD-CE1 3.88Å; K187-Y259 HydrophobicContact CD-CE2 3.97Å; K187-Y259 HydrophobicContact CD-CG 3.68Å; K187-Y259 VanDerWaalsContact CE-CZ 3.5Å; K187-Y259 HydrophobicContact CG-CD1 4.4Å; K187-Y259 HydrophobicContact CG-CD2 4.18Å; K187-Y259 HydrophobicContact CG-CG 3.98Å; K187-Y259 PolarHBondContact NZ-OH 3.17Å; K254-Y259 HydrophobicContact CB-CE1 4.46Å; K254-Y259 HydrophobicContact CG-CE1 3.97Å; K254-Y259 PolarHBondContact O-OH 2.93Å; G257-Y259 VanDerWaalsContact C-N 3.33Å; G257-Y259 WeakPolarHBondContact O-CD2 3.48Å; G257-Y259 PolarHBondContact O-N 2.84Å; G257-Y259 VanDerWaalsContact O-N 3.1Å; Y259-W261 PolarHBondContact O-N 3.19Å; Y259-W261 VanDerWaalsContact O-N 3.15Å; Y259-M262 PolarHBondContact O-N 3.17Å |
| 260 | A | 60.8 | Low | 65.6 | Low | 4 Ų | 4 | 58.6 Ų | 58.6 | 3% | 0.033 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -62.7 | -17.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y230 D233 H258 L263 F264 | Y230-A260 HydrophobicContact CD1-CB 3.99Å; D233-A260 HydrophobicContact CB-CB 3.82Å; D233-A260 WeakPolarHBondContact OD2-CB 3.46Å; D233-A260 PolarHBondContact OD2-N 2.94Å; H258-A260 PolarHBondContact O-N 2.51Å; A260-L263 HydrophobicContact CB-CD2 4.32Å; A260-L263 VanDerWaalsContact O-CB 3.23Å; A260-L263 WeakPolarHBondContact O-CB 3.42Å; A260-L263 PolarHBondContact O-N 3.05Å; A260-F264 HydrophobicContact CB-CE2 3.82Å; A260-F264 HydrophobicContact CB-CZ 4.05Å; A260-F264 WeakPolarHBondContact O-CD2 3.42Å; A260-F264 WeakPolarHBondContact O-CG 3.48Å; A260-F264 PolarHBondContact O-N 2.74Å |
| 261 | W | 68.1 | Low | 64.8 | Low | 10 Ų | 10 | 58.2 Ų | 58.2 | 4% | 0.038 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -64.1 | -43.7 | 176.4 | -67.2 | 16.5 | 0 | 0 | 0 | 113.2 | D233 A236 Y237 A240 R249 I252 A253 H258 Y259 L263 F264 D265 | D233-W261 VanDerWaalsContact O-CD1 3.3Å; D233-W261 PolarHBondContact O-NE1 2.99Å; A236-W261 HydrophobicContact CB-CZ2 3.56Å; A236-W261 WeakPolarHBondContact O-CZ2 3.41Å; Y237-W261 VanDerWaalsContact CA-CE2 3.46Å; Y237-W261 VanDerWaalsContact CA-NE1 3.34Å; Y237-W261 VanDerWaalsContact CB-CD1 3.42Å; Y237-W261 HydrophobicContact CD2-CB 3.54Å; Y237-W261 AromaticContact CD2-CD1 3.86Å; Y237-W261 HydrophobicContact CD2-CD2 4.07Å; Y237-W261 AromaticContact CD2-CG 3.54Å; Y237-W261 HydrophobicContact CD2-CG 3.54Å; Y237-W261 HydrophobicContact CE2-CB 4.1Å; Y237-W261 WeakPolarHBondContact CE2-O 3.47Å; Y237-W261 HydrophobicContact CG-CG 4.21Å; Y237-W261 VanDerWaalsContact N-NE1 3.16Å; A240-W261 HydrophobicContact CB-CE3 4Å; A240-W261 HydrophobicContact CB-CH2 3.27Å; A240-W261 HydrophobicContact CB-CZ2 4.1Å; A240-W261 HydrophobicContact CB-CZ3 3.19Å; R249-W261 HydrophobicContact CG-CE3 3.65Å; R249-W261 HydrophobicContact CG-CZ3 4.15Å; I252-W261 HydrophobicContact CB-CZ3 4.03Å; I252-W261 HydrophobicContact CG2-CH2 3.95Å; I252-W261 HydrophobicContact CG2-CZ3 3.53Å; A253-W261 HydrophobicContact CB-CB 3.67Å; A253-W261 HydrophobicContact CB-CD2 4.05Å; A253-W261 HydrophobicContact CB-CE3 3.8Å; A253-W261 HydrophobicContact CB-CG 4.04Å; H258-W261 HydrophobicContact CB-CD2 3.91Å; H258-W261 VanDerWaalsContact CB-CE2 3.5Å; H258-W261 HydrophobicContact CB-CG 3.96Å; H258-W261 HydrophobicContact CB-CZ2 4.03Å; H258-W261 VanDerWaalsContact CB-NE1 3.32Å; H258-W261 AromaticContact CD2-CE2 3.98Å; H258-W261 AromaticContact CD2-CZ2 3.58Å; H258-W261 AromaticContact CG-CE2 3.94Å; H258-W261 AromaticContact CG-NE1 3.87Å; H258-W261 WeakPolarHBondContact O-CB 3.29Å; H258-W261 VanDerWaalsContact O-CG 3.24Å; H258-W261 PolarHBondContact O-N 2.97Å; H258-W261 VanDerWaalsContact O-N 3.14Å; Y259-W261 PolarHBondContact O-N 3.19Å; Y259-W261 VanDerWaalsContact O-N 3.15Å; W261-L263 PolarHBondContact O-N 3.32Å; W261-F264 PolarHBondContact O-N 3.13Å; W261-D265 PolarHBondContact O-N 3.02Å |
| 262 | M | 62.9 | Low | 64 | Low | 66 Ų | 66 | 54.4 Ų | 54.4 | 33% | 0.325 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -62.2 | -26.5 | 178 | -69.8 | -175.9 | 59.9 | 0 | 0 | 111.8 | A250 A253 K254 Y259 K266 | A250-M262 HydrophobicContact CB-CG 4.04Å; A253-M262 HydrophobicContact CB-CG 4.48Å; K254-M262 HydrophobicContact CD-SD 4.41Å; K254-M262 VanDerWaalsContact CE-SD 3.54Å; K254-M262 HydrophobicContact CG-SD 4.07Å; Y259-M262 PolarHBondContact O-N 3.17Å; M262-K266 WeakPolarHBondContact O-CG 3.49Å; M262-K266 PolarHBondContact O-N 3.23Å |
| 263 | L | 57 | Low | 63.1 | Low | 14 Ų | 14 | 57.1 Ų | 57.1 | 7% | 0.073 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -77.7 | -47.5 | 176.4 | 153.9 | 83.5 | 0 | 0 | 0 | 111.2 | F190 C194 A260 W261 D265 K266 L267 | F190-L263 HydrophobicContact CD1-CB 4.44Å; F190-L263 HydrophobicContact CD1-CD1 3.61Å; F190-L263 HydrophobicContact CD1-CD2 3.45Å; F190-L263 VanDerWaalsContact CD1-CD2 3.45Å; F190-L263 HydrophobicContact CD1-CG 3.9Å; F190-L263 HydrophobicContact CE1-CB 4.45Å; F190-L263 HydrophobicContact CE1-CD1 3.29Å; F190-L263 HydrophobicContact CE1-CD2 2.84Å; F190-L263 HydrophobicContact CE1-CG 3.47Å; F190-L263 VanDerWaalsContact CE1-CG 3.47Å; F190-L263 HydrophobicContact CE2-CD2 4.27Å; F190-L263 HydrophobicContact CG-CD2 4.42Å; F190-L263 HydrophobicContact CZ-CD1 4.44Å; F190-L263 HydrophobicContact CZ-CD2 3.3Å; F190-L263 HydrophobicContact CZ-CG 4.33Å; C194-L263 HydrophobicContact CB-CD1 3.42Å; C194-L263 VanDerWaalsContact CB-CD1 3.42Å; C194-L263 WeakPolarHBondContact SG-CD1 3.32Å; A260-L263 HydrophobicContact CB-CD2 4.32Å; A260-L263 VanDerWaalsContact O-CB 3.23Å; A260-L263 WeakPolarHBondContact O-CB 3.42Å; A260-L263 PolarHBondContact O-N 3.05Å; W261-L263 PolarHBondContact O-N 3.32Å; L263-D265 PolarHBondContact O-N 3.14Å; L263-K266 CarbonylContact O-C 3.48Å; L263-K266 WeakPolarHBondContact O-CA 3.47Å; L263-K266 WeakPolarHBondContact O-CB 3.13Å; L263-K266 PolarHBondContact O-N 3.42Å; L263-L267 HydrophobicContact CD1-CD1 4.05Å; L263-L267 HydrophobicContact CD1-CG 4.26Å; L263-L267 HydrophobicContact CG-CD1 4.4Å; L263-L267 PolarHBondContact O-N 3.49Å |
| 264 | F | 64.7 | Low | 62.5 | Low | 11 Ų | 11 | 59.8 Ų | 59.8 | 5% | 0.048 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -59.7 | -36.9 | 178.8 | -63.4 | -45.5 | 0 | 0 | 0 | 110.5 | Y234 Y237 A260 W261 K266 E268 Y313 | Y234-F264 HydrophobicContact CD2-CD1 4.08Å; Y234-F264 AromaticContact CD2-CD2 3.95Å; Y234-F264 HydrophobicContact CD2-CD2 3.95Å; Y234-F264 AromaticContact CD2-CE1 3.71Å; Y234-F264 HydrophobicContact CD2-CE1 3.71Å; Y234-F264 AromaticContact CD2-CE2 3.57Å; Y234-F264 HydrophobicContact CD2-CE2 3.57Å; Y234-F264 HydrophobicContact CD2-CG 4.23Å; Y234-F264 AromaticContact CD2-CZ 3.46Å; Y234-F264 HydrophobicContact CD2-CZ 3.46Å; Y234-F264 VanDerWaalsContact CD2-CZ 3.46Å; Y234-F264 HydrophobicContact CE2-CD1 4.43Å; Y234-F264 HydrophobicContact CE2-CE1 4.36Å; Y234-F264 HydrophobicContact CG-CE2 4.12Å; Y234-F264 HydrophobicContact CG-CZ 4.12Å; Y237-F264 HydrophobicContact CD1-CB 3.78Å; Y237-F264 AromaticContact CD1-CD2 3.6Å; Y237-F264 HydrophobicContact CD1-CD2 3.6Å; Y237-F264 AromaticContact CD1-CG 3.97Å; Y237-F264 HydrophobicContact CD1-CG 3.97Å; Y237-F264 HydrophobicContact CD2-CB 4.12Å; Y237-F264 AromaticContact CD2-CD2 3.93Å; Y237-F264 HydrophobicContact CD2-CD2 3.93Å; Y237-F264 HydrophobicContact CE1-CB 3.34Å; Y237-F264 HydrophobicContact CE1-CD2 4.1Å; Y237-F264 HydrophobicContact CE1-CG 4.02Å; Y237-F264 HydrophobicContact CE2-CB 3.66Å; Y237-F264 HydrophobicContact CE2-CD2 4.35Å; Y237-F264 HydrophobicContact CG-CB 4.15Å; Y237-F264 AromaticContact CG-CD2 3.5Å; Y237-F264 HydrophobicContact CG-CD2 3.5Å; Y237-F264 HydrophobicContact CG-CE2 4.37Å; Y237-F264 HydrophobicContact CG-CG 4.24Å; A260-F264 HydrophobicContact CB-CE2 3.82Å; A260-F264 HydrophobicContact CB-CZ 4.05Å; A260-F264 WeakPolarHBondContact O-CD2 3.42Å; A260-F264 WeakPolarHBondContact O-CG 3.48Å; A260-F264 PolarHBondContact O-N 2.74Å; W261-F264 PolarHBondContact O-N 3.13Å; F264-K266 VanDerWaalsContact C-N 3.32Å; F264-K266 PolarHBondContact O-N 3.07Å; F264-E268 VanDerWaalsContact O-CB 3.26Å; F264-E268 WeakPolarHBondContact O-CB 3.31Å; F264-E268 PolarHBondContact O-N 3.26Å; F264-Y313 VanDerWaalsContact CA-OH 3.28Å; F264-Y313 WeakPolarHBondContact CA-OH 3.36Å; F264-Y313 HydrophobicContact CB-CE2 3.85Å; F264-Y313 HydrophobicContact CD1-CD2 4.09Å; F264-Y313 HydrophobicContact CD1-CE1 4.37Å; F264-Y313 AromaticContact CD1-CE2 3.81Å; F264-Y313 HydrophobicContact CD1-CE2 3.81Å; F264-Y313 HydrophobicContact CD1-CG 4.49Å; F264-Y313 AromaticContact CD1-CZ 3.94Å; F264-Y313 HydrophobicContact CG-CE2 4.2Å; F264-Y313 PolarHBondContact O-OH 3.13Å |
| 265 | D | 65.6 | Low | 62.1 | Low | 16 Ų | 16 | 57.9 Ų | 57.9 | 9% | 0.086 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -61.2 | -39 | 169.6 | -72.4 | -8.9 | 0 | 0 | 0 | 112 | Y237 R249 W261 L263 T269 | Y237-D265 WeakPolarHBondContact CE2-OD1 3.12Å; Y237-D265 VanDerWaalsContact CZ-OD1 3.3Å; Y237-D265 PolarHBondContact OH-N 2.93Å; Y237-D265 PolarHBondContact OH-OD1 3.39Å; R249-D265 IonicContact CZ-OD1 3.55Å; R249-D265 IonicContact NE-OD1 3.93Å; R249-D265 IonicContact NH1-OD1 2.68Å; R249-D265 PolarHBondContact NH1-OD1 3.36Å; W261-D265 PolarHBondContact O-N 3.02Å; L263-D265 PolarHBondContact O-N 3.14Å; D265-T269 PolarHBondContact O-N 2.88Å; D265-T269 PolarHBondContact O-OG1 3.09Å |
| 266 | K | 61 | Low | 61.6 | Low | 75 Ų | 75 | 53.6 Ų | 53.6 | 33% | 0.326 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -70.8 | -48.4 | -179 | -90.3 | -172.9 | 168.8 | -164.3 | 0 | 113.7 | N195 M262 L263 F264 E268 T269 F270 | N195-K266 VanDerWaalsContact CG-NZ 3.3Å; N195-K266 PolarHBondContact ND2-NZ 3.4Å; N195-K266 VanDerWaalsContact ND2-NZ 3.18Å; N195-K266 WeakPolarHBondContact OD1-CD 3.41Å; N195-K266 PolarHBondContact OD1-NZ 2.86Å; M262-K266 WeakPolarHBondContact O-CG 3.49Å; M262-K266 PolarHBondContact O-N 3.23Å; L263-K266 CarbonylContact O-C 3.48Å; L263-K266 WeakPolarHBondContact O-CA 3.47Å; L263-K266 WeakPolarHBondContact O-CB 3.13Å; L263-K266 PolarHBondContact O-N 3.42Å; F264-K266 VanDerWaalsContact C-N 3.32Å; F264-K266 PolarHBondContact O-N 3.07Å; K266-E268 PolarHBondContact O-N 2.83Å; K266-T269 CarbonylContact O-C 3.6Å; K266-T269 WeakPolarHBondContact O-CA 3.12Å; K266-T269 WeakPolarHBondContact O-CB 3.43Å; K266-T269 PolarHBondContact O-N 3.41Å; K266-F270 WeakPolarHBondContact O-CD2 3.21Å; K266-F270 PolarHBondContact O-N 2.98Å |
| 267 | L | 58.6 | Low | 61.2 | Low | 22 Ų | 22 | 52.2 Ų | 52.2 | 12% | 0.115 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -67.8 | -30.2 | 178 | -37.8 | 145.7 | 0 | 0 | 0 | 110.4 | I198 L263 T269 F270 C271 Y313 L317 | I198-L267 HydrophobicContact CD1-CD2 3.86Å; I198-L267 HydrophobicContact CG2-CD2 4.21Å; L263-L267 HydrophobicContact CD1-CD1 4.05Å; L263-L267 HydrophobicContact CD1-CG 4.26Å; L263-L267 HydrophobicContact CG-CD1 4.4Å; L263-L267 PolarHBondContact O-N 3.49Å; L267-T269 VanDerWaalsContact C-N 3.31Å; L267-T269 PolarHBondContact O-N 3.34Å; L267-F270 PolarHBondContact O-N 3.43Å; L267-C271 WeakPolarHBondContact O-CB 3.19Å; L267-C271 PolarHBondContact O-N 2.91Å; L267-C271 PolarHBondContact O-SG 3.29Å; L267-Y313 HydrophobicContact CB-CE1 4Å; L267-Y313 WeakPolarHBondContact CB-OH 3.07Å; L267-Y313 HydrophobicContact CD1-CE1 3.44Å; L267-Y313 VanDerWaalsContact CD1-CE1 3.44Å; L267-Y313 WeakPolarHBondContact CD1-OH 3.46Å; L267-Y313 HydrophobicContact CG-CE1 4.29Å; L267-L317 VanDerWaalsContact C-CD2 3.46Å; L267-L317 HydrophobicContact CB-CD1 4.2Å; L267-L317 HydrophobicContact CB-CD2 4.26Å; L267-L317 WeakPolarHBondContact O-CD2 3.4Å |
| 268 | E | 60.8 | Low | 61 | Low | 54 Ų | 54 | 51.7 Ų | 51.7 | 25% | 0.252 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -61.7 | -38.7 | 168.7 | -177.7 | 171.3 | -165.4 | 0 | 0 | 111.9 | Y237 R241 F264 K266 S272 Y313 L317 | Y237-E268 PolarHBondContact OH-OE2 2.81Å; R241-E268 IonicContact CZ-OE1 3.32Å; R241-E268 IonicContact CZ-OE2 2.83Å; R241-E268 IonicContact NE-OE1 3.22Å; R241-E268 IonicContact NE-OE2 2.7Å; R241-E268 IonicContact NH1-OE1 3.74Å; R241-E268 PolarHBondContact NH1-OE1 3.49Å; R241-E268 IonicContact NH1-OE2 3.66Å; R241-E268 PolarHBondContact NH1-OE2 3.18Å; R241-E268 IonicContact NH2-OE1 3.54Å; R241-E268 PolarHBondContact NH2-OE1 3.37Å; R241-E268 IonicContact NH2-OE2 2.68Å; F264-E268 VanDerWaalsContact O-CB 3.26Å; F264-E268 WeakPolarHBondContact O-CB 3.31Å; F264-E268 PolarHBondContact O-N 3.26Å; K266-E268 PolarHBondContact O-N 2.83Å; E268-S272 WeakPolarHBondContact O-CB 3.3Å; E268-S272 PolarHBondContact O-N 3.35Å; E268-S272 VanDerWaalsContact O-N 3.17Å; E268-S272 PolarHBondContact O-OG 3.06Å; E268-Y313 PolarHBondContact N-OH 2.68Å; E268-L317 HydrophobicContact CB-CD2 4.25Å |
| 269 | T | 61.3 | Low | 60.6 | Low | 75 Ų | 75 | 52.6 Ų | 52.6 | 46% | 0.46 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -67.8 | -46.3 | 174.3 | -43.9 | 0 | 0 | 0 | 0 | 111.3 | D265 K266 L267 C271 S272 T273 | D265-T269 PolarHBondContact O-N 2.88Å; D265-T269 PolarHBondContact O-OG1 3.09Å; K266-T269 CarbonylContact O-C 3.6Å; K266-T269 WeakPolarHBondContact O-CA 3.12Å; K266-T269 WeakPolarHBondContact O-CB 3.43Å; K266-T269 PolarHBondContact O-N 3.41Å; L267-T269 VanDerWaalsContact C-N 3.31Å; L267-T269 PolarHBondContact O-N 3.34Å; T269-C271 VanDerWaalsContact C-N 3.29Å; T269-C271 PolarHBondContact O-N 3.04Å; T269-S272 WeakPolarHBondContact CA-OG 3.26Å; T269-S272 PolarHBondContact O-N 3.15Å; T269-S272 PolarHBondContact O-OG 3.45Å; T269-T273 HydrophobicContact CG2-CG2 4.39Å; T269-T273 PolarHBondContact O-N 2.82Å; T269-T273 PolarHBondContact O-OG1 3.33Å |
| 270 | F | 56.3 | Low | 60.7 | Low | 69 Ų | 69 | 49 Ų | 49 | 30% | 0.303 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -57.2 | -44.1 | 176.8 | -82 | -69.6 | 0 | 0 | 0 | 111.5 | P199 K266 L267 S272 | P199-F270 HydrophobicContact CG-CE1 4.16Å; P199-F270 HydrophobicContact CG-CZ 4.07Å; K266-F270 WeakPolarHBondContact O-CD2 3.21Å; K266-F270 PolarHBondContact O-N 2.98Å; L267-F270 PolarHBondContact O-N 3.43Å; F270-S272 VanDerWaalsContact C-N 3.26Å; F270-S272 PolarHBondContact O-N 3.25Å |
| 271 | C | 53.8 | Low | 60.8 | Low | 15 Ų | 15 | 50 Ų | 50 | 10% | 0.101 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -75.8 | -5.9 | 178.7 | -66.8 | 0 | 0 | 0 | 0 | 114.1 | L267 T269 Q278 L317 | L267-C271 WeakPolarHBondContact O-CB 3.19Å; L267-C271 PolarHBondContact O-N 2.91Å; L267-C271 PolarHBondContact O-SG 3.29Å; T269-C271 VanDerWaalsContact C-N 3.29Å; T269-C271 PolarHBondContact O-N 3.04Å; C271-Q278 WeakPolarHBondContact O-CG 3.46Å; C271-Q278 PolarHBondContact O-NE2 2.91Å; C271-L317 HydrophobicContact CB-CB 4.16Å; C271-L317 HydrophobicContact CB-CD2 3.88Å; C271-L317 WeakPolarHBondContact CB-O 3.42Å |
| 272 | S | 57.1 | Low | 60.5 | Low | 79 Ų | 79 | 50.9 Ų | 50.9 | 55% | 0.552 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -104.8 | -13.1 | 177.8 | 48.4 | 0 | 0 | 0 | 0 | 114.5 | E268 T269 F270 | E268-S272 WeakPolarHBondContact O-CB 3.3Å; E268-S272 PolarHBondContact O-N 3.35Å; E268-S272 VanDerWaalsContact O-N 3.17Å; E268-S272 PolarHBondContact O-OG 3.06Å; T269-S272 WeakPolarHBondContact CA-OG 3.26Å; T269-S272 PolarHBondContact O-N 3.15Å; T269-S272 PolarHBondContact O-OG 3.45Å; F270-S272 VanDerWaalsContact C-N 3.26Å; F270-S272 PolarHBondContact O-N 3.25Å |
| 273 | T | 57.6 | Low | 60.6 | Low | 107 Ų | 107 | 52.5 Ų | 52.5 | 66% | 0.656 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -110.3 | -20.5 | -169.2 | 54.9 | 0 | 0 | 0 | 0 | 117 | T269 | T269-T273 HydrophobicContact CG2-CG2 4.39Å; T269-T273 PolarHBondContact O-N 2.82Å; T269-T273 PolarHBondContact O-OG1 3.33Å |
| 274 | D | 57.9 | Low | 61 | Low | 57 Ų | 57 | 52 Ų | 52 | 31% | 0.305 | 28% | 0.279 | S | S | . | . | trans | -139.6 | 113.9 | -171 | -173.7 | -13 | 0 | 0 | 0 | 111.8 | E276 Q277 Q278 | D274-E276 PolarHBondContact O-N 3.2Å; D274-E276 PolarHBondContact OD1-N 3.43Å; D274-Q277 HydrophobicContact CB-CB 4.13Å; D274-Q277 HydrophobicContact CB-CG 4.29Å; D274-Q277 PolarHBondContact O-N 2.92Å; D274-Q277 WeakPolarHBondContact OD2-CG 3.48Å; D274-Q277 PolarHBondContact OD2-NE2 2.98Å; D274-Q278 VanDerWaalsContact O-CB 3.25Å; D274-Q278 WeakPolarHBondContact O-CB 3.43Å; D274-Q278 VanDerWaalsContact O-CG 3.28Å; D274-Q278 WeakPolarHBondContact O-CG 3.37Å; D274-Q278 PolarHBondContact O-N 3.45Å | ||
| 275 | S | 61.6 | Low | 61.1 | Low | 80 Ų | 80 | 52.4 Ų | 52.4 | 56% | 0.559 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -68 | -30.9 | -170.1 | 59.6 | 0 | 0 | 0 | 0 | 114.4 | Q278 I279 | S275-Q278 WeakPolarHBondContact O-CB 3.27Å; S275-I279 WeakPolarHBondContact O-CG1 3.33Å; S275-I279 PolarHBondContact O-N 3.27Å |
| 276 | E | 63.8 | Low | 61 | Low | 131 Ų | 131 | 52.4 Ų | 52.4 | 61% | 0.612 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -77.7 | -44.4 | 177.4 | -73.3 | -171.3 | 170.8 | 0 | 0 | 110.9 | L206 D274 Q278 I279 G280 | L206-E276 HydrophobicContact CD1-CB 4.09Å; L206-E276 WeakPolarHBondContact CD1-O 3.18Å; D274-E276 PolarHBondContact O-N 3.2Å; D274-E276 PolarHBondContact OD1-N 3.43Å; E276-Q278 PolarHBondContact O-N 2.92Å; E276-I279 PolarHBondContact O-N 3.23Å; E276-I279 VanDerWaalsContact O-N 3.14Å; E276-G280 PolarHBondContact O-N 3.16Å |
| 277 | Q | 61.2 | Low | 61.3 | Low | 47 Ų | 47 | 52.7 Ų | 52.7 | 22% | 0.22 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -61.8 | -35.2 | 175.4 | -69 | -176 | 28 | 0 | 0 | 111.8 | D274 G280 A281 | D274-Q277 HydrophobicContact CB-CB 4.13Å; D274-Q277 HydrophobicContact CB-CG 4.29Å; D274-Q277 PolarHBondContact O-N 2.92Å; D274-Q277 WeakPolarHBondContact OD2-CG 3.48Å; D274-Q277 PolarHBondContact OD2-NE2 2.98Å; Q277-G280 PolarHBondContact O-N 3.42Å; Q277-A281 WeakPolarHBondContact O-CB 3.31Å; Q277-A281 PolarHBondContact O-N 3.38Å |
| 278 | Q | 60.9 | Low | 61.6 | Low | 27 Ų | 27 | 52.3 Ų | 52.3 | 13% | 0.126 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -51.7 | -56.7 | 169.2 | -95 | 177.1 | 8 | 0 | 0 | 111.7 | C271 D274 S275 E276 G280 A281 T282 L321 | C271-Q278 WeakPolarHBondContact O-CG 3.46Å; C271-Q278 PolarHBondContact O-NE2 2.91Å; D274-Q278 VanDerWaalsContact O-CB 3.25Å; D274-Q278 WeakPolarHBondContact O-CB 3.43Å; D274-Q278 VanDerWaalsContact O-CG 3.28Å; D274-Q278 WeakPolarHBondContact O-CG 3.37Å; D274-Q278 PolarHBondContact O-N 3.45Å; S275-Q278 WeakPolarHBondContact O-CB 3.27Å; E276-Q278 PolarHBondContact O-N 2.92Å; Q278-G280 VanDerWaalsContact C-N 3.33Å; Q278-G280 PolarHBondContact O-N 3.3Å; Q278-A281 PolarHBondContact O-N 3.07Å; Q278-T282 PolarHBondContact O-N 2.88Å; Q278-T282 PolarHBondContact O-OG1 3.24Å; Q278-L321 HydrophobicContact CB-CD1 3.54Å; Q278-L321 HydrophobicContact CB-CD2 4.24Å; Q278-L321 HydrophobicContact CB-CG 4.3Å; Q278-L321 HydrophobicContact CG-CD1 3.97Å |
| 279 | I | 61.2 | Low | 61.9 | Low | 69 Ų | 69 | 49.7 Ų | 49.7 | 35% | 0.354 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -59.3 | -44.8 | 179.3 | -65 | 165.5 | 0 | 0 | 0 | 111 | L206 S275 E276 T282 R283 L321 | L206-I279 HydrophobicContact CD2-CB 3.96Å; L206-I279 HydrophobicContact CD2-CG2 3.79Å; S275-I279 WeakPolarHBondContact O-CG1 3.33Å; S275-I279 PolarHBondContact O-N 3.27Å; E276-I279 PolarHBondContact O-N 3.23Å; E276-I279 VanDerWaalsContact O-N 3.14Å; I279-T282 PolarHBondContact O-N 2.9Å; I279-R283 WeakPolarHBondContact O-CG 3.12Å; I279-R283 PolarHBondContact O-N 3.44Å; I279-R283 VanDerWaalsContact O-N 3.16Å; I279-L321 HydrophobicContact CG1-CD2 3.99Å |
| 280 | G | 63.6 | Low | 62.2 | Low | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63.1 | -44.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | A202 C205 E276 Q277 Q278 R283 L284 | A202-G280 VanDerWaalsContact O-CA 3.26Å; A202-G280 WeakPolarHBondContact O-CA 3.41Å; C205-G280 WeakPolarHBondContact CB-O 3.42Å; E276-G280 PolarHBondContact O-N 3.16Å; Q277-G280 PolarHBondContact O-N 3.42Å; Q278-G280 VanDerWaalsContact C-N 3.33Å; Q278-G280 PolarHBondContact O-N 3.3Å; G280-R283 PolarHBondContact O-N 3.38Å; G280-L284 WeakPolarHBondContact O-CB 3.04Å; G280-L284 PolarHBondContact O-N 2.84Å |
| 281 | A | 62.9 | Low | 62.7 | Low | 25 Ų | 25 | 48.8 Ų | 48.8 | 21% | 0.207 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -65.6 | -41.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | A202 Q277 Q278 R283 L284 Y285 | A202-A281 HydrophobicContact CB-CB 4.3Å; Q277-A281 WeakPolarHBondContact O-CB 3.31Å; Q277-A281 PolarHBondContact O-N 3.38Å; Q278-A281 PolarHBondContact O-N 3.07Å; A281-R283 VanDerWaalsContact C-N 3.33Å; A281-R283 PolarHBondContact O-N 3.31Å; A281-L284 PolarHBondContact O-N 3.22Å; A281-Y285 WeakPolarHBondContact O-CB 3.29Å; A281-Y285 PolarHBondContact O-N 2.99Å |
| 282 | T | 61.4 | Low | 63.2 | Low | 29 Ų | 29 | 48.2 Ų | 48.2 | 18% | 0.178 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -60.6 | -41.4 | 176.8 | -60 | 0 | 0 | 0 | 0 | 111.8 | Q278 I279 Y285 L321 L326 | Q278-T282 PolarHBondContact O-N 2.88Å; Q278-T282 PolarHBondContact O-OG1 3.24Å; I279-T282 PolarHBondContact O-N 2.9Å; T282-Y285 PolarHBondContact O-N 2.89Å; T282-L321 WeakPolarHBondContact OG1-CD1 3.45Å; T282-L326 HydrophobicContact CG2-CB 4.3Å; T282-L326 HydrophobicContact CG2-CD2 4.49Å |
| 283 | R | 64 | Low | 63.5 | Low | 100 Ų | 100 | 44.5 Ų | 44.5 | 38% | 0.377 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -68.5 | -38 | 175.7 | -71.6 | 176.4 | 177.9 | 173.2 | 1.4 | 113.1 | C205 I279 G280 A281 Y285 | C205-R283 HydrophobicContact CB-CB 3.95Å; C205-R283 PolarHBondContact O-NH1 3.27Å; I279-R283 WeakPolarHBondContact O-CG 3.12Å; I279-R283 PolarHBondContact O-N 3.44Å; I279-R283 VanDerWaalsContact O-N 3.16Å; G280-R283 PolarHBondContact O-N 3.38Å; A281-R283 VanDerWaalsContact C-N 3.33Å; A281-R283 PolarHBondContact O-N 3.31Å; R283-Y285 VanDerWaalsContact C-N 3.31Å |
| 284 | L | 66.5 | Low | 63.7 | Low | 4 Ų | 4 | 44 Ų | 44 | 2% | 0.021 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -68 | -34.2 | 177.6 | -178.2 | 63.6 | 0 | 0 | 0 | 111.7 | M201 L218 G280 A281 A286 K287 L288 | M201-L284 HydrophobicContact CB-CD1 4.29Å; M201-L284 HydrophobicContact CB-CD2 3.6Å; L218-L284 HydrophobicContact CD2-CD1 3.53Å; G280-L284 WeakPolarHBondContact O-CB 3.04Å; G280-L284 PolarHBondContact O-N 2.84Å; A281-L284 PolarHBondContact O-N 3.22Å; L284-A286 PolarHBondContact O-N 2.86Å; L284-K287 PolarHBondContact O-N 3.22Å; L284-L288 HydrophobicContact CD1-CD1 4.26Å; L284-L288 HydrophobicContact CD1-CG 4.07Å; L284-L288 HydrophobicContact CD2-CD1 3.86Å; L284-L288 HydrophobicContact CG-CD1 3.66Å; L284-L288 HydrophobicContact CG-CG 3.93Å; L284-L288 PolarHBondContact O-N 3.04Å |
| 285 | Y | 65.5 | Low | 63.9 | Low | 20 Ų | 20 | 44.9 Ų | 44.9 | 8% | 0.078 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -59.2 | -50 | -168.4 | -164.7 | -88.9 | 0 | 0 | 0 | 113.4 | A281 T282 R283 K287 L288 F289 F310 G314 L326 L330 | A281-Y285 WeakPolarHBondContact O-CB 3.29Å; A281-Y285 PolarHBondContact O-N 2.99Å; T282-Y285 PolarHBondContact O-N 2.89Å; R283-Y285 VanDerWaalsContact C-N 3.31Å; Y285-K287 VanDerWaalsContact C-N 3.31Å; Y285-K287 PolarHBondContact O-N 3.41Å; Y285-L288 PolarHBondContact O-N 3.31Å; Y285-F289 WeakPolarHBondContact O-CB 3.44Å; Y285-F289 PolarHBondContact O-N 3.3Å; Y285-F310 HydrophobicContact CD2-CZ 4.34Å; Y285-F310 HydrophobicContact CE1-CD1 4.26Å; Y285-F310 AromaticContact CE1-CE1 3.94Å; Y285-F310 HydrophobicContact CE1-CE1 3.94Å; Y285-F310 HydrophobicContact CE1-CZ 4.44Å; Y285-F310 AromaticContact CE2-CE1 3.8Å; Y285-F310 HydrophobicContact CE2-CE1 3.8Å; Y285-F310 AromaticContact CE2-CE2 3.89Å; Y285-F310 HydrophobicContact CE2-CE2 3.89Å; Y285-F310 AromaticContact CE2-CZ 3.44Å; Y285-F310 HydrophobicContact CE2-CZ 3.44Å; Y285-F310 VanDerWaalsContact CE2-CZ 3.44Å; Y285-F310 AromaticContact CZ-CD1 3.75Å; Y285-F310 AromaticContact CZ-CE1 3.37Å; Y285-F310 AromaticContact CZ-CE2 3.95Å; Y285-F310 AromaticContact CZ-CZ 3.49Å; Y285-F310 VanDerWaalsContact CZ-CZ 3.49Å; Y285-F310 WeakPolarHBondContact OH-CD1 3.3Å; Y285-F310 WeakPolarHBondContact OH-CD2 3.46Å; Y285-F310 WeakPolarHBondContact OH-CE1 3.27Å; Y285-F310 WeakPolarHBondContact OH-CE2 3.49Å; Y285-F310 WeakPolarHBondContact OH-CG 3.37Å; Y285-F310 VanDerWaalsContact OH-CZ 3.28Å; Y285-F310 WeakPolarHBondContact OH-CZ 3.31Å; Y285-F310 PolarHBondContact OH-O 3.46Å; Y285-G314 WeakPolarHBondContact OH-CA 3.31Å; Y285-G314 PolarHBondContact OH-N 3.25Å; Y285-G314 VanDerWaalsContact OH-N 3.12Å; Y285-L326 HydrophobicContact CD1-CD1 4.05Å; Y285-L330 HydrophobicContact CD1-CD2 4.14Å; Y285-L330 HydrophobicContact CE1-CD2 3.93Å |
| 286 | A | 63.8 | Low | 63.7 | Low | 16 Ų | 16 | 42 Ų | 42 | 13% | 0.132 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -61.9 | -39.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | L284 F289 R290 H329 | L284-A286 PolarHBondContact O-N 2.86Å; A286-F289 PolarHBondContact O-N 2.92Å; A286-R290 PolarHBondContact O-N 3.29Å; A286-H329 HydrophobicContact CB-CB 3.8Å |
| 287 | K | 68 | Low | 63.4 | Low | 81 Ų | 81 | 38.5 Ų | 38.5 | 35% | 0.352 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -65 | -44.9 | 177.3 | -62 | -173.7 | 179.5 | -175.3 | 0 | 111.5 | L218 L284 Y285 F289 R290 H291 | L218-K287 HydrophobicContact CD1-CB 4.05Å; L218-K287 HydrophobicContact CD1-CD 4.19Å; L284-K287 PolarHBondContact O-N 3.22Å; Y285-K287 VanDerWaalsContact C-N 3.31Å; Y285-K287 PolarHBondContact O-N 3.41Å; K287-F289 VanDerWaalsContact C-N 3.33Å; K287-F289 PolarHBondContact O-N 3.31Å; K287-R290 PolarHBondContact O-N 3.27Å; K287-H291 PolarHBondContact O-CD2 3.07Å; K287-H291 PolarHBondContact O-N 2.69Å |
| 288 | L | 65.2 | Low | 63 | Low | 13 Ų | 13 | 40.1 Ų | 40.1 | 7% | 0.068 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -62.4 | -41.1 | 173.9 | -73.8 | 177.1 | 0 | 0 | 0 | 111.7 | L218 I221 I225 L284 Y285 H291 F292 | L218-L288 HydrophobicContact CD2-CD2 3.96Å; L218-L288 HydrophobicContact CD2-CG 4.48Å; I221-L288 HydrophobicContact CG2-CD2 4.22Å; I225-L288 HydrophobicContact CD1-CD1 4.28Å; I225-L288 HydrophobicContact CD1-CD2 4.49Å; L284-L288 HydrophobicContact CD1-CD1 4.26Å; L284-L288 HydrophobicContact CD1-CG 4.07Å; L284-L288 HydrophobicContact CD2-CD1 3.86Å; L284-L288 HydrophobicContact CG-CD1 3.66Å; L284-L288 HydrophobicContact CG-CG 3.93Å; L284-L288 PolarHBondContact O-N 3.04Å; Y285-L288 PolarHBondContact O-N 3.31Å; L288-H291 PolarHBondContact O-N 3.42Å; L288-F292 VanDerWaalsContact O-CB 3.3Å; L288-F292 WeakPolarHBondContact O-CB 3.4Å; L288-F292 PolarHBondContact O-N 2.89Å |
| 289 | F | 66.5 | Low | 62.6 | Low | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -61.8 | -43.9 | 178 | -176.6 | -127 | 0 | 0 | 0 | 112 | Y285 A286 K287 H291 F292 L293 L307 F310 L330 C333 L334 | Y285-F289 WeakPolarHBondContact O-CB 3.44Å; Y285-F289 PolarHBondContact O-N 3.3Å; A286-F289 PolarHBondContact O-N 2.92Å; K287-F289 VanDerWaalsContact C-N 3.33Å; K287-F289 PolarHBondContact O-N 3.31Å; F289-H291 PolarHBondContact O-N 3.09Å; F289-F292 HydrophobicContact CD2-CD1 4.17Å; F289-F292 HydrophobicContact CE2-CD1 4.44Å; F289-F292 WeakPolarHBondContact O-CB 3.4Å; F289-F292 PolarHBondContact O-N 3.38Å; F289-L293 HydrophobicContact CD1-CD1 3.59Å; F289-L293 HydrophobicContact CD2-CD1 4.23Å; F289-L293 HydrophobicContact CD2-CG 4.32Å; F289-L293 HydrophobicContact CE1-CD1 3.38Å; F289-L293 HydrophobicContact CE1-CG 4.27Å; F289-L293 HydrophobicContact CE2-CD1 4.07Å; F289-L293 HydrophobicContact CE2-CD2 4.44Å; F289-L293 HydrophobicContact CE2-CG 4.09Å; F289-L293 HydrophobicContact CG-CD1 4.06Å; F289-L293 HydrophobicContact CZ-CD1 3.65Å; F289-L293 HydrophobicContact CZ-CD2 4.23Å; F289-L293 HydrophobicContact CZ-CG 4.07Å; F289-L293 WeakPolarHBondContact O-CB 3.21Å; F289-L293 WeakPolarHBondContact O-CG 3.13Å; F289-L293 PolarHBondContact O-N 3.5Å; F289-L307 HydrophobicContact CE2-CB 4.48Å; F289-L307 HydrophobicContact CE2-CD2 4.35Å; F289-L307 VanDerWaalsContact CE2-O 3.31Å; F289-L307 WeakPolarHBondContact CE2-O 3.3Å; F289-F310 HydrophobicContact CB-CE1 4.27Å; F289-F310 AromaticContact CD2-CD1 3.61Å; F289-F310 HydrophobicContact CD2-CD1 3.61Å; F289-F310 HydrophobicContact CD2-CE1 4.18Å; F289-F310 HydrophobicContact CE2-CD1 4.25Å; F289-F310 HydrophobicContact CG-CD1 4.46Å; F289-L330 HydrophobicContact CB-CD2 4.36Å; F289-L330 HydrophobicContact CD1-CD2 3.46Å; F289-L330 VanDerWaalsContact CD1-CD2 3.46Å; F289-L330 HydrophobicContact CE1-CD2 3.8Å; F289-L330 HydrophobicContact CG-CD2 3.96Å; F289-C333 HydrophobicContact CD1-CB 3.48Å; F289-C333 VanDerWaalsContact CD1-CB 3.48Å; F289-C333 HydrophobicContact CE1-CB 3.43Å; F289-C333 VanDerWaalsContact CE1-CB 3.43Å; F289-L334 HydrophobicContact CE1-CD2 4.4Å; F289-L334 HydrophobicContact CZ-CD2 3.97Å |
| 290 | R | 67.1 | Low | 62.4 | Low | 106 Ų | 106 | 39.6 Ų | 39.6 | 40% | 0.4 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -59.8 | -46.4 | 176.4 | -171.9 | -178.7 | -177.7 | -153.6 | -1.1 | 112.5 | A286 K287 F292 L293 L294 | A286-R290 PolarHBondContact O-N 3.29Å; K287-R290 PolarHBondContact O-N 3.27Å; R290-F292 VanDerWaalsContact C-N 3.31Å; R290-F292 PolarHBondContact O-N 3.14Å; R290-L293 WeakPolarHBondContact O-CB 3.15Å; R290-L293 PolarHBondContact O-N 3.41Å; R290-L294 WeakPolarHBondContact O-CG 3.49Å; R290-L294 PolarHBondContact O-N 2.91Å |
| 291 | H | 66.2 | Low | 62 | Low | 18 Ų | 18 | 43.5 Ų | 43.5 | 8% | 0.083 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -67.9 | -32.9 | 177 | -71.8 | -63.9 | 0 | 0 | 0 | 113 | E215 A222 K287 L288 F289 L294 K295 | E215-H291 PolarHBondContact O-CE1 3.06Å; A222-H291 HydrophobicContact CB-CB 4.05Å; K287-H291 PolarHBondContact O-CD2 3.07Å; K287-H291 PolarHBondContact O-N 2.69Å; L288-H291 PolarHBondContact O-N 3.42Å; F289-H291 PolarHBondContact O-N 3.09Å; H291-L294 PolarHBondContact O-N 3.44Å; H291-K295 PolarHBondContact O-N 2.97Å; H291-K295 VanDerWaalsContact O-N 3.15Å |
| 292 | F | 64.6 | Low | 61.5 | Low | 4 Ų | 4 | 46 Ų | 46 | 2% | 0.018 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -63.7 | -46.4 | 172.1 | 178.3 | -122.2 | 0 | 0 | 0 | 110.8 | F226 L288 F289 R290 L294 K295 F296 C306 L307 F310 | F226-F292 HydrophobicContact CB-CD2 3.71Å; F226-F292 HydrophobicContact CB-CE2 3.29Å; F226-F292 HydrophobicContact CB-CZ 4.26Å; F226-F292 HydrophobicContact CD1-CE2 4.04Å; F226-F292 HydrophobicContact CD1-CZ 4.24Å; F226-F292 AromaticContact CD2-CD2 3.75Å; F226-F292 HydrophobicContact CD2-CD2 3.75Å; F226-F292 AromaticContact CD2-CE2 3.79Å; F226-F292 HydrophobicContact CD2-CE2 3.79Å; F226-F292 HydrophobicContact CD2-CG 4.35Å; F226-F292 HydrophobicContact CD2-CZ 4.38Å; F226-F292 AromaticContact CG-CD2 3.85Å; F226-F292 HydrophobicContact CG-CD2 3.85Å; F226-F292 AromaticContact CG-CE2 3.43Å; F226-F292 HydrophobicContact CG-CE2 3.43Å; F226-F292 VanDerWaalsContact CG-CE2 3.43Å; F226-F292 HydrophobicContact CG-CZ 4.03Å; L288-F292 VanDerWaalsContact O-CB 3.3Å; L288-F292 WeakPolarHBondContact O-CB 3.4Å; L288-F292 PolarHBondContact O-N 2.89Å; F289-F292 HydrophobicContact CD2-CD1 4.17Å; F289-F292 HydrophobicContact CE2-CD1 4.44Å; F289-F292 WeakPolarHBondContact O-CB 3.4Å; F289-F292 PolarHBondContact O-N 3.38Å; R290-F292 VanDerWaalsContact C-N 3.31Å; R290-F292 PolarHBondContact O-N 3.14Å; F292-L294 PolarHBondContact O-N 3.24Å; F292-K295 WeakPolarHBondContact O-CB 3.46Å; F292-K295 PolarHBondContact O-N 3.5Å; F292-K295 VanDerWaalsContact O-N 3.14Å; F292-F296 AromaticContact CD2-CD2 3.27Å; F292-F296 HydrophobicContact CD2-CD2 3.27Å; F292-F296 AromaticContact CD2-CE2 3.3Å; F292-F296 HydrophobicContact CD2-CE2 3.3Å; F292-F296 AromaticContact CE2-CD2 3.13Å; F292-F296 HydrophobicContact CE2-CD2 3.13Å; F292-F296 AromaticContact CE2-CE2 3Å; F292-F296 HydrophobicContact CE2-CE2 3Å; F292-F296 HydrophobicContact CE2-CG 4.26Å; F292-F296 HydrophobicContact CE2-CZ 4.01Å; F292-F296 HydrophobicContact CG-CD2 4.08Å; F292-F296 HydrophobicContact CG-CE2 4.47Å; F292-F296 AromaticContact CZ-CD2 3.86Å; F292-F296 HydrophobicContact CZ-CD2 3.86Å; F292-F296 HydrophobicContact CZ-CE2 4.03Å; F292-F296 WeakPolarHBondContact O-CB 3.19Å; F292-F296 VanDerWaalsContact O-CD2 3.27Å; F292-F296 WeakPolarHBondContact O-CD2 3.37Å; F292-F296 PolarHBondContact O-N 3.37Å; F292-F296 VanDerWaalsContact O-N 3.14Å; F292-C306 HydrophobicContact CZ-CB 4.19Å; F292-L307 HydrophobicContact CD1-CD2 3.11Å; F292-L307 HydrophobicContact CD1-CG 4.31Å; F292-L307 HydrophobicContact CE1-CB 4.39Å; F292-L307 HydrophobicContact CE1-CD2 3.15Å; F292-L307 HydrophobicContact CE1-CG 3.9Å; F292-L307 HydrophobicContact CG-CD2 3.89Å; F292-L307 HydrophobicContact CZ-CD2 3.91Å; F292-L307 HydrophobicContact CZ-CG 4.44Å; F292-F310 HydrophobicContact CD1-CD1 4.08Å; F292-F310 HydrophobicContact CD1-CG 4.47Å; F292-F310 HydrophobicContact CE1-CB 3.99Å; F292-F310 HydrophobicContact CE1-CD1 4.35Å; F292-F310 HydrophobicContact CE1-CG 4.29Å |
| 293 | L | 63.1 | Low | 61.3 | Low | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -56.2 | -48 | 173.1 | -77.9 | 162.6 | 0 | 0 | 0 | 112.9 | F289 R290 K295 F296 A297 L307 C333 F337 I339 | F289-L293 HydrophobicContact CD1-CD1 3.59Å; F289-L293 HydrophobicContact CD2-CD1 4.23Å; F289-L293 HydrophobicContact CD2-CG 4.32Å; F289-L293 HydrophobicContact CE1-CD1 3.38Å; F289-L293 HydrophobicContact CE1-CG 4.27Å; F289-L293 HydrophobicContact CE2-CD1 4.07Å; F289-L293 HydrophobicContact CE2-CD2 4.44Å; F289-L293 HydrophobicContact CE2-CG 4.09Å; F289-L293 HydrophobicContact CG-CD1 4.06Å; F289-L293 HydrophobicContact CZ-CD1 3.65Å; F289-L293 HydrophobicContact CZ-CD2 4.23Å; F289-L293 HydrophobicContact CZ-CG 4.07Å; F289-L293 WeakPolarHBondContact O-CB 3.21Å; F289-L293 WeakPolarHBondContact O-CG 3.13Å; F289-L293 PolarHBondContact O-N 3.5Å; R290-L293 WeakPolarHBondContact O-CB 3.15Å; R290-L293 PolarHBondContact O-N 3.41Å; L293-K295 PolarHBondContact O-N 2.86Å; L293-F296 CarbonylContact O-C 3.58Å; L293-F296 PolarHBondContact O-N 3.4Å; L293-A297 WeakPolarHBondContact O-CB 3.17Å; L293-A297 PolarHBondContact O-N 2.82Å; L293-L307 HydrophobicContact CB-CD2 4.45Å; L293-L307 HydrophobicContact CD2-CB 4.22Å; L293-L307 HydrophobicContact CD2-CD1 3.77Å; L293-L307 HydrophobicContact CD2-CD2 3.57Å; L293-L307 HydrophobicContact CD2-CG 4.06Å; L293-L307 HydrophobicContact CG-CD2 3.84Å; L293-C333 HydrophobicContact CD1-CB 3.47Å; L293-C333 VanDerWaalsContact CD1-CB 3.47Å; L293-F337 HydrophobicContact CB-CD1 3.89Å; L293-F337 HydrophobicContact CB-CD2 3.57Å; L293-F337 HydrophobicContact CB-CE1 3.84Å; L293-F337 HydrophobicContact CB-CE2 3.49Å; L293-F337 VanDerWaalsContact CB-CE2 3.49Å; L293-F337 HydrophobicContact CB-CG 3.75Å; L293-F337 HydrophobicContact CB-CZ 3.64Å; L293-F337 HydrophobicContact CD1-CD2 3.61Å; L293-F337 HydrophobicContact CD1-CE2 3.88Å; L293-F337 HydrophobicContact CD1-CG 4.31Å; L293-F337 HydrophobicContact CD2-CB 3.84Å; L293-F337 HydrophobicContact CD2-CD1 4.49Å; L293-F337 HydrophobicContact CD2-CD2 3.96Å; L293-F337 HydrophobicContact CD2-CG 3.82Å; L293-F337 HydrophobicContact CG-CD2 3.93Å; L293-F337 HydrophobicContact CG-CE2 4.22Å; L293-F337 HydrophobicContact CG-CG 4.2Å; L293-I339 HydrophobicContact CD2-CD1 3.12Å; L293-I339 HydrophobicContact CD2-CG1 4.02Å; L293-I339 HydrophobicContact CG-CD1 4.5Å |
| 294 | L | 63.4 | Low | 61 | Low | 97 Ų | 97 | 41.3 Ų | 41.3 | 51% | 0.508 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -57.4 | -36.9 | 176.7 | -73 | 167.3 | 0 | 0 | 0 | 112.9 | R290 H291 F292 F296 F337 | R290-L294 WeakPolarHBondContact O-CG 3.49Å; R290-L294 PolarHBondContact O-N 2.91Å; H291-L294 PolarHBondContact O-N 3.44Å; F292-L294 PolarHBondContact O-N 3.24Å; L294-F296 VanDerWaalsContact C-N 3.33Å; L294-F337 HydrophobicContact CD2-CE1 3.8Å; L294-F337 HydrophobicContact CD2-CZ 3.67Å; L294-F337 HydrophobicContact CG-CE1 4.09Å; L294-F337 HydrophobicContact CG-CZ 3.73Å |
| 295 | K | 60.6 | Low | 60.5 | Low | 75 Ų | 75 | 46.6 Ų | 46.6 | 33% | 0.326 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -69.7 | -32.9 | 178 | -179.5 | 179.8 | 176.8 | -175.2 | 0 | 112.6 | E223 F226 H291 F292 L293 | E223-K295 HydrophobicContact CG-CD 3.95Å; F226-K295 PolarHBondContact O-NZ 3.33Å; H291-K295 PolarHBondContact O-N 2.97Å; H291-K295 VanDerWaalsContact O-N 3.15Å; F292-K295 WeakPolarHBondContact O-CB 3.46Å; F292-K295 PolarHBondContact O-N 3.5Å; F292-K295 VanDerWaalsContact O-N 3.14Å; L293-K295 PolarHBondContact O-N 2.86Å |
| 296 | F | 57.6 | Low | 60.1 | Low | 20 Ų | 20 | 46.4 Ų | 46.4 | 9% | 0.088 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -109.8 | -5.1 | -167.3 | -80.4 | -59.7 | 0 | 0 | 0 | 113.7 | F226 V228 F292 L293 L294 G298 G299 T303 L307 | F226-F296 HydrophobicContact CB-CE2 4.23Å; V228-F296 HydrophobicContact CG2-CD1 4.48Å; V228-F296 HydrophobicContact CG2-CE1 3.59Å; V228-F296 HydrophobicContact CG2-CZ 4.34Å; F292-F296 AromaticContact CD2-CD2 3.27Å; F292-F296 HydrophobicContact CD2-CD2 3.27Å; F292-F296 AromaticContact CD2-CE2 3.3Å; F292-F296 HydrophobicContact CD2-CE2 3.3Å; F292-F296 AromaticContact CE2-CD2 3.13Å; F292-F296 HydrophobicContact CE2-CD2 3.13Å; F292-F296 AromaticContact CE2-CE2 3Å; F292-F296 HydrophobicContact CE2-CE2 3Å; F292-F296 HydrophobicContact CE2-CG 4.26Å; F292-F296 HydrophobicContact CE2-CZ 4.01Å; F292-F296 HydrophobicContact CG-CD2 4.08Å; F292-F296 HydrophobicContact CG-CE2 4.47Å; F292-F296 AromaticContact CZ-CD2 3.86Å; F292-F296 HydrophobicContact CZ-CD2 3.86Å; F292-F296 HydrophobicContact CZ-CE2 4.03Å; F292-F296 WeakPolarHBondContact O-CB 3.19Å; F292-F296 VanDerWaalsContact O-CD2 3.27Å; F292-F296 WeakPolarHBondContact O-CD2 3.37Å; F292-F296 PolarHBondContact O-N 3.37Å; F292-F296 VanDerWaalsContact O-N 3.14Å; L293-F296 CarbonylContact O-C 3.58Å; L293-F296 PolarHBondContact O-N 3.4Å; L294-F296 VanDerWaalsContact C-N 3.33Å; F296-G298 PolarHBondContact O-N 2.97Å; F296-G298 VanDerWaalsContact O-N 3.15Å; F296-G299 PolarHBondContact O-N 3.21Å; F296-T303 HydrophobicContact CB-CG2 3.26Å; F296-T303 HydrophobicContact CD1-CG2 3.33Å; F296-T303 HydrophobicContact CE1-CG2 4.44Å; F296-T303 HydrophobicContact CG-CG2 3.57Å; F296-T303 VanDerWaalsContact O-CG2 3.25Å; F296-T303 WeakPolarHBondContact O-CG2 3.34Å; F296-L307 HydrophobicContact CB-CD1 3.88Å; F296-L307 HydrophobicContact CB-CD2 4.2Å; F296-L307 HydrophobicContact CB-CG 4.31Å |
| 297 | A | 57.4 | Low | 59.9 | Low | 57 Ų | 57 | 45.7 Ų | 45.7 | 47% | 0.471 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.3 | 118.3 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | L293 F337 | L293-A297 WeakPolarHBondContact O-CB 3.17Å; L293-A297 PolarHBondContact O-N 2.82Å; A297-F337 HydrophobicContact CB-CD1 3.82Å; A297-F337 HydrophobicContact CB-CE1 4.12Å |
| 298 | G | 53.7 | Low | 59.5 | Low | 82 Ų | 82 | 41.9 Ų | 41.9 | 85% | 0.845 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.9 | 6.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | F296 G300 | F296-G298 PolarHBondContact O-N 2.97Å; F296-G298 VanDerWaalsContact O-N 3.15Å; G298-G300 PolarHBondContact O-N 3.13Å |
| 299 | G | 53.1 | Low | 59.1 | Low | 47 Ų | 47 | 41.5 Ų | 41.5 | 49% | 0.485 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -72.2 | -2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | F296 T303 | F296-G299 PolarHBondContact O-N 3.21Å; G299-T303 PolarHBondContact O-OG1 2.75Å |
| 300 | G | 55.8 | Low | 58.8 | Low | 38 Ų | 38 | 42.5 Ų | 42.5 | 39% | 0.392 | 26% | 0.257 | S | S | . | . | trans | 90.7 | -174.8 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114 | G298 M302 T303 N304 | G298-G300 PolarHBondContact O-N 3.13Å; G300-M302 PolarHBondContact O-N 2.63Å; G300-T303 PolarHBondContact O-N 3.21Å; G300-N304 PolarHBondContact O-N 3.41Å; G300-N304 VanDerWaalsContact O-N 3.1Å | ||
| 301 | S | 55.9 | Low | 58.6 | Low | 81 Ų | 81 | 37.5 Ų | 37.5 | 57% | 0.566 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -61.6 | -44.5 | -170.9 | 56.1 | 0 | 0 | 0 | 0 | 114 | T303 N304 R305 | S301-T303 VanDerWaalsContact C-N 3.31Å; S301-T303 PolarHBondContact O-N 3.23Å; S301-N304 PolarHBondContact O-N 3.45Å; S301-R305 PolarHBondContact O-N 3.47Å |
| 302 | M | 52.2 | Low | 58.2 | Low | 79 Ų | 79 | 37.3 Ų | 37.3 | 39% | 0.389 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -59 | -44 | 178.1 | -82.4 | -72.9 | -80.3 | 0 | 0 | 112 | N232 G300 R305 C306 | N232-M302 WeakPolarHBondContact OD1-CE 3.48Å; G300-M302 PolarHBondContact O-N 2.63Å; M302-R305 WeakPolarHBondContact O-CB 3.4Å; M302-R305 PolarHBondContact O-N 3.2Å; M302-C306 PolarHBondContact O-N 3.1Å; M302-C306 PolarHBondContact O-SG 3.47Å |
| 303 | T | 56.7 | Low | 58 | Low | 9 Ų | 9 | 37.4 Ų | 37.4 | 6% | 0.055 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -64.8 | -42 | 178.8 | -66.2 | 0 | 0 | 0 | 0 | 111.9 | F296 G299 G300 S301 R305 C306 L307 | F296-T303 HydrophobicContact CB-CG2 3.26Å; F296-T303 HydrophobicContact CD1-CG2 3.33Å; F296-T303 HydrophobicContact CE1-CG2 4.44Å; F296-T303 HydrophobicContact CG-CG2 3.57Å; F296-T303 VanDerWaalsContact O-CG2 3.25Å; F296-T303 WeakPolarHBondContact O-CG2 3.34Å; G299-T303 PolarHBondContact O-OG1 2.75Å; G300-T303 PolarHBondContact O-N 3.21Å; S301-T303 VanDerWaalsContact C-N 3.31Å; S301-T303 PolarHBondContact O-N 3.23Å; T303-R305 VanDerWaalsContact C-N 3.33Å; T303-R305 PolarHBondContact O-N 2.8Å; T303-C306 VanDerWaalsContact O-CB 3.28Å; T303-C306 WeakPolarHBondContact O-CB 3.49Å; T303-C306 PolarHBondContact O-N 2.87Å; T303-L307 HydrophobicContact CG2-CD1 4.26Å; T303-L307 WeakPolarHBondContact O-CG 3.17Å; T303-L307 PolarHBondContact O-N 3.13Å |
| 304 | N | 58.2 | Low | 58 | Low | 20 Ų | 20 | 37.5 Ų | 37.5 | 11% | 0.107 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -64.1 | -37.9 | 174.8 | -76.6 | 4.2 | 0 | 0 | 0 | 112.5 | G300 S301 L307 L308 I339 T342 | G300-N304 PolarHBondContact O-N 3.41Å; G300-N304 VanDerWaalsContact O-N 3.1Å; S301-N304 PolarHBondContact O-N 3.45Å; N304-L307 WeakPolarHBondContact O-CB 3.48Å; N304-L307 PolarHBondContact O-N 3.45Å; N304-L308 PolarHBondContact O-N 2.93Å; N304-I339 HydrophobicContact CB-CG2 3.68Å; N304-T342 HydrophobicContact CB-CG2 4.27Å; N304-T342 WeakPolarHBondContact CB-OG1 3.46Å; N304-T342 WeakPolarHBondContact ND2-CG2 3.08Å; N304-T342 PolarHBondContact ND2-OG1 3.29Å |
| 305 | R | 56 | Low | 57.8 | Low | 116 Ų | 116 | 33.4 Ų | 33.4 | 44% | 0.438 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -60.3 | -44.3 | 170.8 | -169.6 | 176.8 | 179.3 | 142.2 | 8.2 | 111.3 | D235 S301 M302 T303 L307 L308 L309 W349 | D235-R305 IonicContact OD1-NH2 2.67Å; D235-R305 IonicContact OD2-CZ 2.56Å; D235-R305 IonicContact OD2-NE 3.46Å; D235-R305 PolarHBondContact OD2-NE 3.45Å; D235-R305 IonicContact OD2-NH2 3.91Å; D235-R305 PolarHBondContact OD2-NH2 2.88Å; S301-R305 PolarHBondContact O-N 3.47Å; M302-R305 WeakPolarHBondContact O-CB 3.4Å; M302-R305 PolarHBondContact O-N 3.2Å; T303-R305 VanDerWaalsContact C-N 3.33Å; T303-R305 PolarHBondContact O-N 2.8Å; R305-L307 VanDerWaalsContact C-N 3.29Å; R305-L307 PolarHBondContact O-N 2.98Å; R305-L308 PolarHBondContact O-N 3.42Å; R305-L309 HydrophobicContact CG-CD1 4.13Å; R305-L309 HydrophobicContact CG-CG 4.44Å; R305-L309 WeakPolarHBondContact O-CB 3.42Å; R305-L309 VanDerWaalsContact O-CG 3.26Å; R305-L309 WeakPolarHBondContact O-CG 3.41Å; R305-L309 PolarHBondContact O-N 3.27Å; R305-W349 HydrophobicContact CG-CZ2 4.33Å |
| 306 | C | 56.4 | Low | 57.7 | Low | 15 Ų | 15 | 34.3 Ų | 34.3 | 10% | 0.101 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -55.9 | -45.2 | 173.7 | -54.3 | 0 | 0 | 0 | 0 | 112.3 | A231 F292 M302 T303 L308 L309 F310 | A231-C306 HydrophobicContact CB-CB 4.38Å; A231-C306 WeakPolarHBondContact CB-SG 3.44Å; F292-C306 HydrophobicContact CZ-CB 4.19Å; M302-C306 PolarHBondContact O-N 3.1Å; M302-C306 PolarHBondContact O-SG 3.47Å; T303-C306 VanDerWaalsContact O-CB 3.28Å; T303-C306 WeakPolarHBondContact O-CB 3.49Å; T303-C306 PolarHBondContact O-N 2.87Å; C306-L308 VanDerWaalsContact C-N 3.29Å; C306-L308 PolarHBondContact O-N 2.91Å; C306-L309 PolarHBondContact O-N 3.47Å; C306-F310 WeakPolarHBondContact O-CB 3.23Å; C306-F310 PolarHBondContact O-N 2.86Å |
| 307 | L | 60.4 | Low | 57.8 | Low | 1 Ų | 1 | 34.4 Ų | 34.4 | 1% | 0.005 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -61 | -42.3 | -178.9 | -69 | 162.2 | 0 | 0 | 0 | 110.7 | F289 F292 L293 F296 T303 N304 R305 F310 S311 I339 | F289-L307 HydrophobicContact CE2-CB 4.48Å; F289-L307 HydrophobicContact CE2-CD2 4.35Å; F289-L307 VanDerWaalsContact CE2-O 3.31Å; F289-L307 WeakPolarHBondContact CE2-O 3.3Å; F292-L307 HydrophobicContact CD1-CD2 3.11Å; F292-L307 HydrophobicContact CD1-CG 4.31Å; F292-L307 HydrophobicContact CE1-CB 4.39Å; F292-L307 HydrophobicContact CE1-CD2 3.15Å; F292-L307 HydrophobicContact CE1-CG 3.9Å; F292-L307 HydrophobicContact CG-CD2 3.89Å; F292-L307 HydrophobicContact CZ-CD2 3.91Å; F292-L307 HydrophobicContact CZ-CG 4.44Å; L293-L307 HydrophobicContact CB-CD2 4.45Å; L293-L307 HydrophobicContact CD2-CB 4.22Å; L293-L307 HydrophobicContact CD2-CD1 3.77Å; L293-L307 HydrophobicContact CD2-CD2 3.57Å; L293-L307 HydrophobicContact CD2-CG 4.06Å; L293-L307 HydrophobicContact CG-CD2 3.84Å; F296-L307 HydrophobicContact CB-CD1 3.88Å; F296-L307 HydrophobicContact CB-CD2 4.2Å; F296-L307 HydrophobicContact CB-CG 4.31Å; T303-L307 HydrophobicContact CG2-CD1 4.26Å; T303-L307 WeakPolarHBondContact O-CG 3.17Å; T303-L307 PolarHBondContact O-N 3.13Å; N304-L307 WeakPolarHBondContact O-CB 3.48Å; N304-L307 PolarHBondContact O-N 3.45Å; R305-L307 VanDerWaalsContact C-N 3.29Å; R305-L307 PolarHBondContact O-N 2.98Å; L307-F310 PolarHBondContact O-N 3.32Å; L307-S311 PolarHBondContact O-N 3.39Å; L307-S311 PolarHBondContact O-OG 2.97Å; L307-I339 HydrophobicContact CB-CD1 3.79Å; L307-I339 HydrophobicContact CD1-CD1 4.11Å; L307-I339 HydrophobicContact CD1-CG1 4.5Å; L307-I339 HydrophobicContact CG-CD1 4.49Å |
| 308 | L | 59.1 | Low | 57.7 | Low | 2 Ų | 2 | 31.7 Ų | 31.7 | 1% | 0.01 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -68.1 | -47.6 | 177.3 | -135.7 | 88.7 | 0 | 0 | 0 | 113.5 | N304 R305 C306 F310 S311 L312 L334 I339 Y343 W349 | N304-L308 PolarHBondContact O-N 2.93Å; R305-L308 PolarHBondContact O-N 3.42Å; C306-L308 VanDerWaalsContact C-N 3.29Å; C306-L308 PolarHBondContact O-N 2.91Å; L308-F310 PolarHBondContact O-N 2.88Å; L308-S311 WeakPolarHBondContact CA-OG 2.98Å; L308-S311 PolarHBondContact O-N 3.43Å; L308-S311 PolarHBondContact O-OG 3.27Å; L308-L312 PolarHBondContact O-N 3.43Å; L308-L334 HydrophobicContact CD1-CD2 3.75Å; L308-I339 HydrophobicContact CD1-CG2 4.06Å; L308-Y343 HydrophobicContact CD1-CE1 3.8Å; L308-Y343 WeakPolarHBondContact CD1-OH 3.2Å; L308-Y343 HydrophobicContact CD2-CE1 3.57Å; L308-Y343 HydrophobicContact CG-CE1 4.26Å; L308-W349 HydrophobicContact CB-CH2 4.11Å; L308-W349 HydrophobicContact CB-CZ3 3.99Å; L308-W349 HydrophobicContact CD2-CD2 3.56Å; L308-W349 HydrophobicContact CD2-CE3 3.08Å; L308-W349 HydrophobicContact CD2-CG 4.2Å; L308-W349 HydrophobicContact CD2-CH2 3.89Å; L308-W349 HydrophobicContact CD2-CZ2 4.4Å; L308-W349 HydrophobicContact CD2-CZ3 3.23Å; L308-W349 HydrophobicContact CG-CE3 4.33Å; L308-W349 HydrophobicContact CG-CZ3 4.08Å |
| 309 | L | 56.8 | Low | 57.7 | Low | 4 Ų | 4 | 33.7 Ų | 33.7 | 2% | 0.021 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -58.5 | -35.5 | 177.5 | -68.9 | 175.4 | 0 | 0 | 0 | 111.3 | Y234 D235 R305 C306 L312 Y313 W349 | Y234-L309 HydrophobicContact CD1-CB 3.42Å; Y234-L309 VanDerWaalsContact CD1-CB 3.42Å; Y234-L309 HydrophobicContact CD1-CD1 3.73Å; Y234-L309 HydrophobicContact CD1-CD2 3.42Å; Y234-L309 VanDerWaalsContact CD1-CD2 3.42Å; Y234-L309 HydrophobicContact CD1-CG 3.63Å; Y234-L309 HydrophobicContact CE1-CB 3.58Å; Y234-L309 HydrophobicContact CE1-CD2 3.45Å; Y234-L309 VanDerWaalsContact CE1-CD2 3.45Å; Y234-L309 HydrophobicContact CE1-CG 3.95Å; Y234-L309 HydrophobicContact CG-CB 4Å; Y234-L309 HydrophobicContact CG-CD1 4.34Å; Y234-L309 HydrophobicContact CG-CG 4.5Å; Y234-L309 VanDerWaalsContact CZ-O 3.23Å; Y234-L309 PolarHBondContact OH-O 2.88Å; D235-L309 WeakPolarHBondContact OD1-CD1 3.27Å; D235-L309 VanDerWaalsContact OD1-CD2 3.25Å; D235-L309 WeakPolarHBondContact OD1-CD2 3.42Å; R305-L309 HydrophobicContact CG-CD1 4.13Å; R305-L309 HydrophobicContact CG-CG 4.44Å; R305-L309 WeakPolarHBondContact O-CB 3.42Å; R305-L309 VanDerWaalsContact O-CG 3.26Å; R305-L309 WeakPolarHBondContact O-CG 3.41Å; R305-L309 PolarHBondContact O-N 3.27Å; C306-L309 PolarHBondContact O-N 3.47Å; L309-L312 HydrophobicContact CD2-CD1 4.3Å; L309-Y313 PolarHBondContact O-N 3.47Å; L309-W349 HydrophobicContact CD2-CH2 3.32Å; L309-W349 HydrophobicContact CD2-CZ2 4.36Å; L309-W349 HydrophobicContact CD2-CZ3 3.82Å; L309-W349 HydrophobicContact CG-CH2 3.94Å |
| 310 | F | 60.6 | Low | 57.6 | Low | 22 Ų | 22 | 35 Ų | 35 | 10% | 0.096 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -66.2 | -53.2 | 171.7 | -167.2 | -110.6 | 0 | 0 | 0 | 110.6 | F226 Y285 F289 F292 C306 L307 L308 L312 Y313 G314 | F226-F310 HydrophobicContact CE1-CD2 4.08Å; F226-F310 HydrophobicContact CE1-CE2 4.39Å; F226-F310 AromaticContact CE2-CD2 3.71Å; F226-F310 HydrophobicContact CE2-CD2 3.71Å; F226-F310 HydrophobicContact CE2-CE1 4.34Å; F226-F310 AromaticContact CE2-CE2 3.37Å; F226-F310 HydrophobicContact CE2-CE2 3.37Å; F226-F310 HydrophobicContact CE2-CG 4.35Å; F226-F310 AromaticContact CE2-CZ 3.69Å; F226-F310 HydrophobicContact CE2-CZ 3.69Å; F226-F310 AromaticContact CZ-CD2 3.22Å; F226-F310 HydrophobicContact CZ-CD2 3.22Å; F226-F310 AromaticContact CZ-CE2 3.19Å; F226-F310 HydrophobicContact CZ-CE2 3.19Å; F226-F310 HydrophobicContact CZ-CG 4.12Å; F226-F310 HydrophobicContact CZ-CZ 4.02Å; Y285-F310 HydrophobicContact CD2-CZ 4.34Å; Y285-F310 HydrophobicContact CE1-CD1 4.26Å; Y285-F310 AromaticContact CE1-CE1 3.94Å; Y285-F310 HydrophobicContact CE1-CE1 3.94Å; Y285-F310 HydrophobicContact CE1-CZ 4.44Å; Y285-F310 AromaticContact CE2-CE1 3.8Å; Y285-F310 HydrophobicContact CE2-CE1 3.8Å; Y285-F310 AromaticContact CE2-CE2 3.89Å; Y285-F310 HydrophobicContact CE2-CE2 3.89Å; Y285-F310 AromaticContact CE2-CZ 3.44Å; Y285-F310 HydrophobicContact CE2-CZ 3.44Å; Y285-F310 VanDerWaalsContact CE2-CZ 3.44Å; Y285-F310 AromaticContact CZ-CD1 3.75Å; Y285-F310 AromaticContact CZ-CE1 3.37Å; Y285-F310 AromaticContact CZ-CE2 3.95Å; Y285-F310 AromaticContact CZ-CZ 3.49Å; Y285-F310 VanDerWaalsContact CZ-CZ 3.49Å; Y285-F310 WeakPolarHBondContact OH-CD1 3.3Å; Y285-F310 WeakPolarHBondContact OH-CD2 3.46Å; Y285-F310 WeakPolarHBondContact OH-CE1 3.27Å; Y285-F310 WeakPolarHBondContact OH-CE2 3.49Å; Y285-F310 WeakPolarHBondContact OH-CG 3.37Å; Y285-F310 VanDerWaalsContact OH-CZ 3.28Å; Y285-F310 WeakPolarHBondContact OH-CZ 3.31Å; Y285-F310 PolarHBondContact OH-O 3.46Å; F289-F310 HydrophobicContact CB-CE1 4.27Å; F289-F310 AromaticContact CD2-CD1 3.61Å; F289-F310 HydrophobicContact CD2-CD1 3.61Å; F289-F310 HydrophobicContact CD2-CE1 4.18Å; F289-F310 HydrophobicContact CE2-CD1 4.25Å; F289-F310 HydrophobicContact CG-CD1 4.46Å; F292-F310 HydrophobicContact CD1-CD1 4.08Å; F292-F310 HydrophobicContact CD1-CG 4.47Å; F292-F310 HydrophobicContact CE1-CB 3.99Å; F292-F310 HydrophobicContact CE1-CD1 4.35Å; F292-F310 HydrophobicContact CE1-CG 4.29Å; C306-F310 WeakPolarHBondContact O-CB 3.23Å; C306-F310 PolarHBondContact O-N 2.86Å; L307-F310 PolarHBondContact O-N 3.32Å; L308-F310 PolarHBondContact O-N 2.88Å; F310-L312 PolarHBondContact O-N 3.03Å; F310-L312 VanDerWaalsContact O-N 3.11Å; F310-Y313 WeakPolarHBondContact O-CA 3.4Å; F310-Y313 VanDerWaalsContact O-CB 3.24Å; F310-Y313 WeakPolarHBondContact O-CB 3.38Å; F310-Y313 PolarHBondContact O-N 3.45Å; F310-G314 PolarHBondContact O-N 2.93Å |
| 311 | S | 62.3 | Low | 57.6 | Low | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -52.4 | -38.6 | 176.2 | 55.8 | 0 | 0 | 0 | 0 | 113.9 | L307 L308 Y313 G314 Y315 | L307-S311 PolarHBondContact O-N 3.39Å; L307-S311 PolarHBondContact O-OG 2.97Å; L308-S311 WeakPolarHBondContact CA-OG 2.98Å; L308-S311 PolarHBondContact O-N 3.43Å; L308-S311 PolarHBondContact O-OG 3.27Å; S311-Y313 PolarHBondContact O-N 3.18Å; S311-G314 PolarHBondContact O-N 3.01Å; S311-Y315 WeakPolarHBondContact O-CB 3.46Å; S311-Y315 PolarHBondContact O-N 3.09Å |
| 312 | L | 58.2 | Low | 57.6 | Low | 14 Ų | 14 | 36.2 Ų | 36.2 | 7% | 0.073 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -60.8 | -43.5 | 172.9 | -73.9 | -174.5 | 0 | 0 | 0 | 112.5 | L308 L309 F310 Y315 R316 W349 W352 | L308-L312 PolarHBondContact O-N 3.43Å; L309-L312 HydrophobicContact CD2-CD1 4.3Å; F310-L312 PolarHBondContact O-N 3.03Å; F310-L312 VanDerWaalsContact O-N 3.11Å; L312-Y315 PolarHBondContact O-N 3.5Å; L312-R316 WeakPolarHBondContact O-CG 3.49Å; L312-R316 PolarHBondContact O-N 2.98Å; L312-W349 HydrophobicContact CD1-CE3 3.97Å; L312-W349 HydrophobicContact CD1-CH2 4.48Å; L312-W349 HydrophobicContact CD1-CZ3 3.44Å; L312-W349 VanDerWaalsContact CD1-CZ3 3.44Å; L312-W349 HydrophobicContact CG-CZ3 4.19Å; L312-W352 HydrophobicContact CD2-CB 3.79Å; L312-W352 VanDerWaalsContact CD2-CD1 3.42Å; L312-W352 HydrophobicContact CD2-CD2 3.36Å; L312-W352 HydrophobicContact CD2-CE3 4.04Å; L312-W352 HydrophobicContact CD2-CG 3.22Å; L312-W352 HydrophobicContact CD2-CZ2 4.33Å |
| 313 | Y | 60.3 | Low | 57.9 | Low | 7 Ų | 7 | 34.9 Ų | 34.9 | 3% | 0.027 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -61.7 | -48.2 | 177.4 | -171.8 | -110 | 0 | 0 | 0 | 111.4 | Y234 F264 L267 E268 L309 F310 S311 Y315 R316 L317 | Y234-Y313 AromaticContact CE2-CD2 3.82Å; Y234-Y313 HydrophobicContact CE2-CD2 3.82Å; Y234-Y313 HydrophobicContact CE2-CG 4.12Å; Y234-Y313 PolarHBondContact OH-N 3.07Å; F264-Y313 VanDerWaalsContact CA-OH 3.28Å; F264-Y313 WeakPolarHBondContact CA-OH 3.36Å; F264-Y313 HydrophobicContact CB-CE2 3.85Å; F264-Y313 HydrophobicContact CD1-CD2 4.09Å; F264-Y313 HydrophobicContact CD1-CE1 4.37Å; F264-Y313 AromaticContact CD1-CE2 3.81Å; F264-Y313 HydrophobicContact CD1-CE2 3.81Å; F264-Y313 HydrophobicContact CD1-CG 4.49Å; F264-Y313 AromaticContact CD1-CZ 3.94Å; F264-Y313 HydrophobicContact CG-CE2 4.2Å; F264-Y313 PolarHBondContact O-OH 3.13Å; L267-Y313 HydrophobicContact CB-CE1 4Å; L267-Y313 WeakPolarHBondContact CB-OH 3.07Å; L267-Y313 HydrophobicContact CD1-CE1 3.44Å; L267-Y313 VanDerWaalsContact CD1-CE1 3.44Å; L267-Y313 WeakPolarHBondContact CD1-OH 3.46Å; L267-Y313 HydrophobicContact CG-CE1 4.29Å; E268-Y313 PolarHBondContact N-OH 2.68Å; L309-Y313 PolarHBondContact O-N 3.47Å; F310-Y313 WeakPolarHBondContact O-CA 3.4Å; F310-Y313 VanDerWaalsContact O-CB 3.24Å; F310-Y313 WeakPolarHBondContact O-CB 3.38Å; F310-Y313 PolarHBondContact O-N 3.45Å; S311-Y313 PolarHBondContact O-N 3.18Å; Y313-Y315 PolarHBondContact O-N 2.94Å; Y313-R316 PolarHBondContact O-N 3.37Å; Y313-L317 HydrophobicContact CD1-CD1 3.8Å; Y313-L317 HydrophobicContact CD1-CG 4.17Å; Y313-L317 HydrophobicContact CE1-CD1 3.42Å; Y313-L317 VanDerWaalsContact CE1-CD1 3.42Å; Y313-L317 HydrophobicContact CE1-CD2 4.11Å; Y313-L317 HydrophobicContact CE1-CG 3.88Å; Y313-L317 HydrophobicContact CE2-CD2 4.3Å; Y313-L317 WeakPolarHBondContact O-CG 3.23Å; Y313-L317 PolarHBondContact O-N 2.82Å |
| 314 | G | 62.3 | Low | 58.1 | Low | 1 Ų | 1 | 35.5 Ų | 35.5 | 1% | 0.01 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -56.8 | -47.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y285 F310 S311 R316 L317 A318 L326 | Y285-G314 WeakPolarHBondContact OH-CA 3.31Å; Y285-G314 PolarHBondContact OH-N 3.25Å; Y285-G314 VanDerWaalsContact OH-N 3.12Å; F310-G314 PolarHBondContact O-N 2.93Å; S311-G314 PolarHBondContact O-N 3.01Å; G314-R316 VanDerWaalsContact C-N 3.33Å; G314-R316 PolarHBondContact O-N 2.89Å; G314-L317 PolarHBondContact O-N 2.95Å; G314-A318 PolarHBondContact O-N 3.29Å; G314-L326 VanDerWaalsContact O-CD2 3.3Å; G314-L326 WeakPolarHBondContact O-CD2 3.37Å |
| 315 | Y | 60 | Low | 58.2 | Low | 12 Ų | 12 | 38.8 Ų | 38.8 | 5% | 0.047 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -57 | -45.2 | 176.4 | -178.3 | -99.5 | 0 | 0 | 0 | 112.2 | S311 L312 Y313 A318 S327 W352 I356 E359 | S311-Y315 WeakPolarHBondContact O-CB 3.46Å; S311-Y315 PolarHBondContact O-N 3.09Å; L312-Y315 PolarHBondContact O-N 3.5Å; Y313-Y315 PolarHBondContact O-N 2.94Å; Y315-A318 PolarHBondContact O-N 3.08Å; Y315-S327 WeakPolarHBondContact CD2-OG 3.33Å; Y315-S327 VanDerWaalsContact CE2-OG 3.24Å; Y315-S327 WeakPolarHBondContact CE2-OG 3.43Å; Y315-W352 AromaticContact CD1-CD1 3.95Å; Y315-W352 AromaticContact CD1-NE1 3.32Å; Y315-W352 VanDerWaalsContact CD1-NE1 3.32Å; Y315-W352 AromaticContact CE1-NE1 3.8Å; Y315-W352 HydrophobicContact CG-CZ2 4.42Å; Y315-W352 AromaticContact CG-NE1 3.45Å; Y315-I356 HydrophobicContact CD2-CD1 4.43Å; Y315-I356 HydrophobicContact CD2-CG1 4.03Å; Y315-I356 HydrophobicContact CE1-CG1 4.45Å; Y315-I356 HydrophobicContact CE2-CB 4.46Å; Y315-I356 HydrophobicContact CE2-CD1 4.37Å; Y315-I356 HydrophobicContact CE2-CG1 3.51Å; Y315-E359 PolarHBondContact OH-OE1 3.31Å; Y315-E359 PolarHBondContact OH-OE2 3.43Å; Y315-E359 VanDerWaalsContact OH-OE2 3.05Å |
| 316 | R | 59.4 | Low | 58.5 | Low | 94 Ų | 94 | 33.5 Ų | 33.5 | 36% | 0.355 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -68.4 | -32.6 | 177.9 | -73.4 | -173.9 | -179.2 | -175.3 | 5 | 113.6 | L238 L312 Y313 G314 A318 E319 | L238-R316 VanDerWaalsContact CD2-NH1 3.27Å; L312-R316 WeakPolarHBondContact O-CG 3.49Å; L312-R316 PolarHBondContact O-N 2.98Å; Y313-R316 PolarHBondContact O-N 3.37Å; G314-R316 VanDerWaalsContact C-N 3.33Å; G314-R316 PolarHBondContact O-N 2.89Å; R316-A318 PolarHBondContact O-N 2.95Å; R316-E319 PolarHBondContact O-N 3.32Å |
| 317 | L | 58 | Low | 58.9 | Low | 21 Ų | 21 | 32.9 Ų | 32.9 | 11% | 0.11 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -64.9 | -24.3 | 175.7 | -72.5 | -177.7 | 0 | 0 | 0 | 112.9 | L267 E268 C271 Y313 G314 E319 | L267-L317 VanDerWaalsContact C-CD2 3.46Å; L267-L317 HydrophobicContact CB-CD1 4.2Å; L267-L317 HydrophobicContact CB-CD2 4.26Å; L267-L317 WeakPolarHBondContact O-CD2 3.4Å; E268-L317 HydrophobicContact CB-CD2 4.25Å; C271-L317 HydrophobicContact CB-CB 4.16Å; C271-L317 HydrophobicContact CB-CD2 3.88Å; C271-L317 WeakPolarHBondContact CB-O 3.42Å; Y313-L317 HydrophobicContact CD1-CD1 3.8Å; Y313-L317 HydrophobicContact CD1-CG 4.17Å; Y313-L317 HydrophobicContact CE1-CD1 3.42Å; Y313-L317 VanDerWaalsContact CE1-CD1 3.42Å; Y313-L317 HydrophobicContact CE1-CD2 4.11Å; Y313-L317 HydrophobicContact CE1-CG 3.88Å; Y313-L317 HydrophobicContact CE2-CD2 4.3Å; Y313-L317 WeakPolarHBondContact O-CG 3.23Å; Y313-L317 PolarHBondContact O-N 2.82Å; G314-L317 PolarHBondContact O-N 2.95Å; L317-E319 PolarHBondContact O-N 2.9Å |
| 318 | A | 56.7 | Low | 59 | Low | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.008 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | 14.3 | -180 | 0 | 0 | 0 | 0 | 0 | 114.2 | G314 Y315 R316 G320 L321 R323 L326 | G314-A318 PolarHBondContact O-N 3.29Å; Y315-A318 PolarHBondContact O-N 3.08Å; R316-A318 PolarHBondContact O-N 2.95Å; A318-G320 PolarHBondContact O-N 2.93Å; A318-L321 PolarHBondContact O-N 3.34Å; A318-R323 HydrophobicContact CB-CG 4.05Å; A318-R323 WeakPolarHBondContact O-CG 3.45Å; A318-L326 HydrophobicContact CB-CD2 3.53Å |
| 319 | E | 53.5 | Low | 59.3 | Low | 124 Ų | 124 | 36.9 Ų | 36.9 | 58% | 0.579 | 19% | 0.193 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | 107.5 | 170.8 | -167.2 | 148.6 | -118.3 | 0 | 0 | 110.8 | R316 L317 R323 | R316-E319 PolarHBondContact O-N 3.32Å; L317-E319 PolarHBondContact O-N 2.9Å; E319-R323 VanDerWaalsContact CA-NH2 3.33Å; E319-R323 VanDerWaalsContact CD-NH2 3.34Å; E319-R323 IonicContact OE1-NH2 2.73Å; E319-R323 PolarHBondContact OE1-NH2 3.2Å |
| 320 | G | 51.5 | Low | 59.8 | Low | 73 Ų | 73 | 36.7 Ų | 36.7 | 75% | 0.753 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 108.9 | -3.6 | -175.6 | 0 | 0 | 0 | 0 | 0 | 116 | A318 | A318-G320 PolarHBondContact O-N 2.93Š|
| 321 | L | 53.9 | Low | 60.2 | Low | 44 Ų | 44 | 35.6 Ų | 35.6 | 23% | 0.23 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -122.7 | 176.7 | -179.8 | -65.4 | 161.7 | 0 | 0 | 0 | 111.3 | Q278 I279 T282 A318 R323 | Q278-L321 HydrophobicContact CB-CD1 3.54Å; Q278-L321 HydrophobicContact CB-CD2 4.24Å; Q278-L321 HydrophobicContact CB-CG 4.3Å; Q278-L321 HydrophobicContact CG-CD1 3.97Å; I279-L321 HydrophobicContact CG1-CD2 3.99Å; T282-L321 WeakPolarHBondContact OG1-CD1 3.45Å; A318-L321 PolarHBondContact O-N 3.34Å; L321-R323 PolarHBondContact O-N 3.29Å |
| 322 | N | 56 | Low | 60.4 | Low | 101 Ų | 101 | 37.7 Ų | 37.7 | 54% | 0.54 | 20% | 0.201 | S | C | . | . | trans | -64.9 | 76.1 | -178.9 | -165.7 | 4.1 | 0 | 0 | 0 | 112.2 | V324 E325 | N322-V324 PolarHBondContact O-N 2.9Å; N322-V324 VanDerWaalsContact O-N 3.11Å; N322-E325 PolarHBondContact O-N 3.45Å | ||
| 323 | R | 60.3 | Low | 60.6 | Low | 51 Ų | 51 | 37.6 Ų | 37.6 | 19% | 0.192 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -57.8 | -24.6 | -177.6 | -73.6 | -176.4 | 175.2 | 175.3 | -2.4 | 112.9 | A318 E319 L321 S327 E359 | A318-R323 HydrophobicContact CB-CG 4.05Å; A318-R323 WeakPolarHBondContact O-CG 3.45Å; E319-R323 VanDerWaalsContact CA-NH2 3.33Å; E319-R323 VanDerWaalsContact CD-NH2 3.34Å; E319-R323 IonicContact OE1-NH2 2.73Å; E319-R323 PolarHBondContact OE1-NH2 3.2Å; L321-R323 PolarHBondContact O-N 3.29Å; R323-S327 VanDerWaalsContact O-CB 3.24Å; R323-S327 WeakPolarHBondContact O-CB 3.39Å; R323-S327 PolarHBondContact O-N 3.45Å; R323-S327 PolarHBondContact O-OG 3.31Å; R323-E359 WeakPolarHBondContact CD-OE2 3.46Å; R323-E359 IonicContact CZ-OE2 2.75Å; R323-E359 IonicContact NE-OE2 3.3Å; R323-E359 VanDerWaalsContact NH1-CD 3.29Å; R323-E359 IonicContact NH1-OE1 2.97Å; R323-E359 PolarHBondContact NH1-OE1 3.13Å; R323-E359 IonicContact NH1-OE2 2.88Å; R323-E359 PolarHBondContact NH1-OE2 3.37Å |
| 324 | V | 59.6 | Low | 61 | Low | 22 Ų | 22 | 37.3 Ų | 37.3 | 13% | 0.133 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -56.9 | -58.8 | 175.8 | 176.9 | 0 | 0 | 0 | 0 | 109.7 | N322 L326 S327 C328 L360 A363 | N322-V324 PolarHBondContact O-N 2.9Å; N322-V324 VanDerWaalsContact O-N 3.11Å; V324-L326 PolarHBondContact O-N 3.02Å; V324-S327 WeakPolarHBondContact O-CB 3.15Å; V324-S327 PolarHBondContact O-N 3.39Å; V324-S327 VanDerWaalsContact O-N 3.12Å; V324-C328 PolarHBondContact O-N 3.33Å; V324-C328 PolarHBondContact O-SG 3.17Å; V324-L360 HydrophobicContact CB-CD2 4.07Å; V324-L360 HydrophobicContact CG1-CD2 3.62Å; V324-L360 HydrophobicContact CG2-CD2 4.08Å; V324-A363 HydrophobicContact CG2-CB 3.96Å |
| 325 | E | 60 | Low | 61.2 | Low | 89 Ų | 89 | 38.4 Ų | 38.4 | 42% | 0.416 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -58.8 | -45.2 | -176.4 | -173.5 | -174.4 | 168.4 | 0 | 0 | 111.9 | N322 S327 C328 H329 | N322-E325 PolarHBondContact O-N 3.45Å; E325-S327 PolarHBondContact O-N 2.92Å; E325-C328 PolarHBondContact O-N 2.91Å; E325-H329 PolarHBondContact O-N 2.93Å; E325-H329 VanDerWaalsContact O-N 3.11Å; E325-H329 PolarHBondContact O-ND1 3.24Å; E325-H329 IonicContact OE1-CE1 3.46Å |
| 326 | L | 62.3 | Low | 61.4 | Low | 6 Ų | 6 | 43 Ų | 43 | 3% | 0.031 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -63 | -43.7 | 177.9 | -179 | 64.6 | 0 | 0 | 0 | 111.5 | T282 Y285 G314 A318 V324 C328 H329 L330 | T282-L326 HydrophobicContact CG2-CB 4.3Å; T282-L326 HydrophobicContact CG2-CD2 4.49Å; Y285-L326 HydrophobicContact CD1-CD1 4.05Å; G314-L326 VanDerWaalsContact O-CD2 3.3Å; G314-L326 WeakPolarHBondContact O-CD2 3.37Å; A318-L326 HydrophobicContact CB-CD2 3.53Å; V324-L326 PolarHBondContact O-N 3.02Å; L326-C328 VanDerWaalsContact C-N 3.33Å; L326-C328 PolarHBondContact O-N 3.43Å; L326-H329 PolarHBondContact O-N 3.1Å; L326-L330 HydrophobicContact CD1-CD1 4.2Å; L326-L330 HydrophobicContact CD1-CG 4.19Å; L326-L330 HydrophobicContact CD2-CD1 4.42Å; L326-L330 HydrophobicContact CG-CD1 3.89Å; L326-L330 HydrophobicContact CG-CG 4.29Å; L326-L330 WeakPolarHBondContact O-CB 3.25Å; L326-L330 VanDerWaalsContact O-CG 3.25Å; L326-L330 WeakPolarHBondContact O-CG 3.39Å; L326-L330 PolarHBondContact O-N 3.43Å |
| 327 | S | 65.3 | Low | 61.3 | Low | 2 Ų | 2 | 40.3 Ų | 40.3 | 1% | 0.014 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -61.2 | -43.2 | 179 | -59.9 | 0 | 0 | 0 | 0 | 111.4 | Y315 R323 V324 E325 L330 L331 | Y315-S327 WeakPolarHBondContact CD2-OG 3.33Å; Y315-S327 VanDerWaalsContact CE2-OG 3.24Å; Y315-S327 WeakPolarHBondContact CE2-OG 3.43Å; R323-S327 VanDerWaalsContact O-CB 3.24Å; R323-S327 WeakPolarHBondContact O-CB 3.39Å; R323-S327 PolarHBondContact O-N 3.45Å; R323-S327 PolarHBondContact O-OG 3.31Å; V324-S327 WeakPolarHBondContact O-CB 3.15Å; V324-S327 PolarHBondContact O-N 3.39Å; V324-S327 VanDerWaalsContact O-N 3.12Å; E325-S327 PolarHBondContact O-N 2.92Å; S327-L330 PolarHBondContact O-N 2.95Å; S327-L331 WeakPolarHBondContact O-CB 3.34Å; S327-L331 WeakPolarHBondContact O-CD1 3.46Å; S327-L331 WeakPolarHBondContact O-CG 3.34Å; S327-L331 PolarHBondContact O-N 2.91Å |
| 328 | C | 63.4 | Low | 61.5 | Low | 4 Ų | 4 | 44.3 Ų | 44.3 | 3% | 0.027 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -60.7 | -49.5 | 178.1 | -58.5 | 0 | 0 | 0 | 0 | 111.2 | V324 E325 L326 L330 L331 C332 E369 A373 | V324-C328 PolarHBondContact O-N 3.33Å; V324-C328 PolarHBondContact O-SG 3.17Å; E325-C328 PolarHBondContact O-N 2.91Å; L326-C328 VanDerWaalsContact C-N 3.33Å; L326-C328 PolarHBondContact O-N 3.43Å; C328-L330 VanDerWaalsContact C-N 3.35Å; C328-L330 PolarHBondContact O-N 2.98Å; C328-L331 PolarHBondContact O-N 3.34Å; C328-C332 PolarHBondContact O-N 3.44Å; C328-C332 PolarHBondContact O-SG 3.37Å; C328-E369 HydrophobicContact CB-CB 3.87Å; C328-E369 VanDerWaalsContact SG-C 3.52Å; C328-E369 PolarHBondContact SG-O 3.01Å; C328-A373 HydrophobicContact CB-CB 4.13Å; C328-A373 WeakPolarHBondContact SG-CB 3.37Å |
| 329 | H | 64.7 | Low | 61.4 | Low | 82 Ų | 82 | 44.3 Ų | 44.3 | 38% | 0.38 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -62.4 | -40.3 | 177.8 | -72 | 106.6 | 0 | 0 | 0 | 112.8 | A286 E325 L326 C333 | A286-H329 HydrophobicContact CB-CB 3.8Å; E325-H329 PolarHBondContact O-N 2.93Å; E325-H329 VanDerWaalsContact O-N 3.11Å; E325-H329 PolarHBondContact O-ND1 3.24Å; E325-H329 IonicContact OE1-CE1 3.46Å; L326-H329 PolarHBondContact O-N 3.1Å; H329-C333 WeakPolarHBondContact O-CB 3.47Å; H329-C333 PolarHBondContact O-N 3.5Å; H329-C333 VanDerWaalsContact O-N 3.1Å; H329-C333 PolarHBondContact O-SG 3.3Å |
| 330 | L | 66.5 | Low | 61.6 | Low | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -64.9 | -41.9 | 176.2 | -71.6 | 175.2 | 0 | 0 | 0 | 111.6 | Y285 F289 L326 S327 C328 C333 L334 | Y285-L330 HydrophobicContact CD1-CD2 4.14Å; Y285-L330 HydrophobicContact CE1-CD2 3.93Å; F289-L330 HydrophobicContact CB-CD2 4.36Å; F289-L330 HydrophobicContact CD1-CD2 3.46Å; F289-L330 VanDerWaalsContact CD1-CD2 3.46Å; F289-L330 HydrophobicContact CE1-CD2 3.8Å; F289-L330 HydrophobicContact CG-CD2 3.96Å; L326-L330 HydrophobicContact CD1-CD1 4.2Å; L326-L330 HydrophobicContact CD1-CG 4.19Å; L326-L330 HydrophobicContact CD2-CD1 4.42Å; L326-L330 HydrophobicContact CG-CD1 3.89Å; L326-L330 HydrophobicContact CG-CG 4.29Å; L326-L330 WeakPolarHBondContact O-CB 3.25Å; L326-L330 VanDerWaalsContact O-CG 3.25Å; L326-L330 WeakPolarHBondContact O-CG 3.39Å; L326-L330 PolarHBondContact O-N 3.43Å; S327-L330 PolarHBondContact O-N 2.95Å; C328-L330 VanDerWaalsContact C-N 3.35Å; C328-L330 PolarHBondContact O-N 2.98Å; L330-C333 CarbonylContact O-C 3.52Å; L330-C333 WeakPolarHBondContact O-CB 3.44Å; L330-C333 PolarHBondContact O-N 2.87Å; L330-L334 WeakPolarHBondContact O-CG 3.32Å; L330-L334 PolarHBondContact O-N 3.38Å |
| 331 | L | 69.8 | Low | 61.7 | Low | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -66.2 | -43 | 178.6 | -70.5 | 163 | 0 | 0 | 0 | 112.2 | S327 C328 C333 L334 N335 F353 I356 A373 Q376 F377 I380 | S327-L331 WeakPolarHBondContact O-CB 3.34Å; S327-L331 WeakPolarHBondContact O-CD1 3.46Å; S327-L331 WeakPolarHBondContact O-CG 3.34Å; S327-L331 PolarHBondContact O-N 2.91Å; C328-L331 PolarHBondContact O-N 3.34Å; L331-C333 VanDerWaalsContact C-N 3.25Å; L331-C333 PolarHBondContact O-N 3.4Å; L331-L334 HydrophobicContact CD2-CD1 4.49Å; L331-L334 PolarHBondContact O-N 3Å; L331-L334 VanDerWaalsContact O-N 3.08Å; L331-N335 PolarHBondContact O-N 2.94Å; L331-F353 HydrophobicContact CD2-CE1 4.25Å; L331-I356 HydrophobicContact CD1-CG2 4.46Å; L331-A373 HydrophobicContact CD1-CB 3.8Å; L331-Q376 HydrophobicContact CB-CB 3.83Å; L331-Q376 HydrophobicContact CB-CG 4.2Å; L331-F377 HydrophobicContact CD1-CD1 4.49Å; L331-F377 HydrophobicContact CD1-CD2 3.87Å; L331-F377 HydrophobicContact CD1-CE1 4.01Å; L331-F377 HydrophobicContact CD1-CE2 3.32Å; L331-F377 HydrophobicContact CD1-CG 4.4Å; L331-F377 HydrophobicContact CD1-CZ 3.39Å; L331-F377 HydrophobicContact CD2-CD1 3.84Å; L331-F377 HydrophobicContact CD2-CE1 3.35Å; L331-F377 HydrophobicContact CD2-CE2 4.28Å; L331-F377 HydrophobicContact CD2-CG 4.45Å; L331-F377 HydrophobicContact CD2-CZ 3.59Å; L331-F377 HydrophobicContact CG-CE1 4.31Å; L331-F377 HydrophobicContact CG-CE2 4.43Å; L331-F377 HydrophobicContact CG-CZ 4.08Å; L331-I380 HydrophobicContact CD2-CD1 4.15Å; L331-I380 WeakPolarHBondContact O-CD1 3.35Å |
| 332 | C | 66.5 | Low | 61.7 | Low | 43 Ų | 43 | 43.5 Ų | 43.5 | 29% | 0.291 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -56.6 | -44.4 | 173.2 | -69.3 | 0 | 0 | 0 | 0 | 110.9 | C328 N335 E336 | C328-C332 PolarHBondContact O-N 3.44Å; C328-C332 PolarHBondContact O-SG 3.37Å; C332-N335 PolarHBondContact O-N 3.5Å; C332-E336 WeakPolarHBondContact O-CB 3.48Å; C332-E336 PolarHBondContact O-N 2.84Å |
| 333 | C | 63.2 | Low | 61.5 | Low | 12 Ų | 12 | 41.4 Ų | 41.4 | 8% | 0.081 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -64.3 | -39.3 | 174.9 | -72.4 | 0 | 0 | 0 | 0 | 112.4 | F289 L293 H329 L330 L331 N335 F337 | F289-C333 HydrophobicContact CD1-CB 3.48Å; F289-C333 VanDerWaalsContact CD1-CB 3.48Å; F289-C333 HydrophobicContact CE1-CB 3.43Å; F289-C333 VanDerWaalsContact CE1-CB 3.43Å; L293-C333 HydrophobicContact CD1-CB 3.47Å; L293-C333 VanDerWaalsContact CD1-CB 3.47Å; H329-C333 WeakPolarHBondContact O-CB 3.47Å; H329-C333 PolarHBondContact O-N 3.5Å; H329-C333 VanDerWaalsContact O-N 3.1Å; H329-C333 PolarHBondContact O-SG 3.3Å; L330-C333 CarbonylContact O-C 3.52Å; L330-C333 WeakPolarHBondContact O-CB 3.44Å; L330-C333 PolarHBondContact O-N 2.87Å; L331-C333 VanDerWaalsContact C-N 3.25Å; L331-C333 PolarHBondContact O-N 3.4Å; C333-N335 VanDerWaalsContact C-N 3.35Å; C333-N335 PolarHBondContact O-N 3.34Å; C333-F337 WeakPolarHBondContact O-CD2 3.19Å; C333-F337 PolarHBondContact O-N 3.4Å |
| 334 | L | 66.9 | Low | 60.9 | Low | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.005 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -66 | -37.5 | 177.2 | -71.1 | 176.6 | 0 | 0 | 0 | 112.4 | F289 L308 L330 L331 K338 I339 W352 F353 I380 | F289-L334 HydrophobicContact CE1-CD2 4.4Å; F289-L334 HydrophobicContact CZ-CD2 3.97Å; L308-L334 HydrophobicContact CD1-CD2 3.75Å; L330-L334 WeakPolarHBondContact O-CG 3.32Å; L330-L334 PolarHBondContact O-N 3.38Å; L331-L334 HydrophobicContact CD2-CD1 4.49Å; L331-L334 PolarHBondContact O-N 3Å; L331-L334 VanDerWaalsContact O-N 3.08Å; L334-K338 PolarHBondContact O-N 2.92Å; L334-I339 HydrophobicContact CD2-CB 4.49Å; L334-I339 HydrophobicContact CD2-CD1 3.58Å; L334-I339 PolarHBondContact O-N 3.48Å; L334-W352 HydrophobicContact CD1-CH2 3.92Å; L334-W352 HydrophobicContact CD1-CZ3 3.86Å; L334-F353 HydrophobicContact CD1-CE1 4.16Å; L334-I380 HydrophobicContact CB-CD1 3.87Å |
| 335 | N | 67.1 | Low | 60.1 | Low | 25 Ų | 25 | 54 Ų | 54 | 13% | 0.134 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -73.9 | -46.9 | 179 | -167.6 | 31.4 | 0 | 0 | 0 | 112.5 | L331 C332 C333 F337 K338 Q376 Q379 I380 | L331-N335 PolarHBondContact O-N 2.94Å; C332-N335 PolarHBondContact O-N 3.5Å; C333-N335 VanDerWaalsContact C-N 3.35Å; C333-N335 PolarHBondContact O-N 3.34Å; N335-F337 PolarHBondContact O-N 3.17Å; N335-F337 VanDerWaalsContact O-N 3.09Å; N335-K338 PolarHBondContact O-N 3.2Å; N335-Q376 VanDerWaalsContact CG-OE1 3.24Å; N335-Q376 PolarHBondContact ND2-OE1 3.46Å; N335-Q379 PolarHBondContact ND2-OE1 2.91Å; N335-I380 HydrophobicContact CB-CD1 3.92Å; N335-I380 HydrophobicContact CB-CG1 3.9Å |
| 336 | E | 63.8 | Low | 59.5 | Low | 107 Ų | 107 | 53.1 Ų | 53.1 | 50% | 0.5 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -50.3 | -39.5 | 179.1 | -177.7 | -177.1 | 179.2 | 0 | 0 | 111 | C332 | C332-E336 WeakPolarHBondContact O-CB 3.48Å; C332-E336 PolarHBondContact O-N 2.84Å |
| 337 | F | 58.1 | Low | 59.1 | Low | 39 Ų | 39 | 60 Ų | 60 | 17% | 0.171 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.1 | 2.6 | -176.4 | -68.3 | -86.9 | 0 | 0 | 0 | 114.9 | L293 L294 A297 C333 N335 I339 | L293-F337 HydrophobicContact CB-CD1 3.89Å; L293-F337 HydrophobicContact CB-CD2 3.57Å; L293-F337 HydrophobicContact CB-CE1 3.84Å; L293-F337 HydrophobicContact CB-CE2 3.49Å; L293-F337 VanDerWaalsContact CB-CE2 3.49Å; L293-F337 HydrophobicContact CB-CG 3.75Å; L293-F337 HydrophobicContact CB-CZ 3.64Å; L293-F337 HydrophobicContact CD1-CD2 3.61Å; L293-F337 HydrophobicContact CD1-CE2 3.88Å; L293-F337 HydrophobicContact CD1-CG 4.31Å; L293-F337 HydrophobicContact CD2-CB 3.84Å; L293-F337 HydrophobicContact CD2-CD1 4.49Å; L293-F337 HydrophobicContact CD2-CD2 3.96Å; L293-F337 HydrophobicContact CD2-CG 3.82Å; L293-F337 HydrophobicContact CG-CD2 3.93Å; L293-F337 HydrophobicContact CG-CE2 4.22Å; L293-F337 HydrophobicContact CG-CG 4.2Å; L294-F337 HydrophobicContact CD2-CE1 3.8Å; L294-F337 HydrophobicContact CD2-CZ 3.67Å; L294-F337 HydrophobicContact CG-CE1 4.09Å; L294-F337 HydrophobicContact CG-CZ 3.73Å; A297-F337 HydrophobicContact CB-CD1 3.82Å; A297-F337 HydrophobicContact CB-CE1 4.12Å; C333-F337 WeakPolarHBondContact O-CD2 3.19Å; C333-F337 PolarHBondContact O-N 3.4Å; N335-F337 PolarHBondContact O-N 3.17Å; N335-F337 VanDerWaalsContact O-N 3.09Å; F337-I339 HydrophobicContact CB-CD1 4.38Å; F337-I339 HydrophobicContact CB-CG1 3.97Å; F337-I339 PolarHBondContact O-N 3.39Å; F337-I339 VanDerWaalsContact O-N 3.09Å |
| 338 | K | 61.5 | Low | 58.7 | Low | 104 Ų | 104 | 65.7 Ų | 65.7 | 45% | 0.452 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.7 | 34.9 | 178.7 | -57 | -178.6 | -178.4 | 173.9 | 0 | 115 | L334 N335 Y340 N341 | L334-K338 PolarHBondContact O-N 2.92Å; N335-K338 PolarHBondContact O-N 3.2Å; K338-Y340 VanDerWaalsContact CA-CE1 3.46Å; K338-Y340 HydrophobicContact CB-CD1 4.46Å; K338-Y340 HydrophobicContact CB-CE1 3.86Å; K338-Y340 HydrophobicContact CG-CE1 4Å; K338-Y340 PolarHBondContact O-N 3.04Å; K338-N341 PolarHBondContact O-N 3.22Å |
| 339 | I | 55.9 | Low | 58.6 | Low | 2 Ų | 2 | 67.1 Ų | 67.1 | 1% | 0.01 | 34% | 0.339 | C | S | . | . | G | 310 helix | trans | -59.1 | -26.3 | -177.7 | -57.3 | 174.1 | 0 | 0 | 0 | 110.6 | L293 N304 L307 L308 L334 F337 N341 T342 | L293-I339 HydrophobicContact CD2-CD1 3.12Å; L293-I339 HydrophobicContact CD2-CG1 4.02Å; L293-I339 HydrophobicContact CG-CD1 4.5Å; N304-I339 HydrophobicContact CB-CG2 3.68Å; L307-I339 HydrophobicContact CB-CD1 3.79Å; L307-I339 HydrophobicContact CD1-CD1 4.11Å; L307-I339 HydrophobicContact CD1-CG1 4.5Å; L307-I339 HydrophobicContact CG-CD1 4.49Å; L308-I339 HydrophobicContact CD1-CG2 4.06Å; L334-I339 HydrophobicContact CD2-CB 4.49Å; L334-I339 HydrophobicContact CD2-CD1 3.58Å; L334-I339 PolarHBondContact O-N 3.48Å; F337-I339 HydrophobicContact CB-CD1 4.38Å; F337-I339 HydrophobicContact CB-CG1 3.97Å; F337-I339 PolarHBondContact O-N 3.39Å; F337-I339 VanDerWaalsContact O-N 3.09Å; I339-N341 PolarHBondContact O-N 3.06Å; I339-N341 VanDerWaalsContact O-N 3.13Å; I339-T342 PolarHBondContact O-N 3.01Å; I339-T342 VanDerWaalsContact O-N 3.15Å; I339-T342 PolarHBondContact O-OG1 2.84Å |
| 340 | Y | 57 | Low | 58.6 | Low | 54 Ų | 54 | 64.4 Ų | 64.4 | 21% | 0.212 | 33% | 0.33 | C | S | . | . | G | 310 helix | trans | -61.2 | -23.4 | -175.1 | 62 | -96.9 | 0 | 0 | 0 | 115.8 | K338 T342 Y343 I380 | K338-Y340 VanDerWaalsContact CA-CE1 3.46Å; K338-Y340 HydrophobicContact CB-CD1 4.46Å; K338-Y340 HydrophobicContact CB-CE1 3.86Å; K338-Y340 HydrophobicContact CG-CE1 4Å; K338-Y340 PolarHBondContact O-N 3.04Å; Y340-T342 PolarHBondContact O-N 2.7Å; Y340-T342 VanDerWaalsContact O-N 3.08Å; Y340-Y343 VanDerWaalsContact CB-CE2 3.46Å; Y340-Y343 WeakPolarHBondContact O-CD2 3.17Å; Y340-Y343 PolarHBondContact O-N 2.86Å; Y340-I380 HydrophobicContact CD1-CB 4.49Å; Y340-I380 HydrophobicContact CD1-CG1 4.19Å; Y340-I380 HydrophobicContact CD1-CG2 4.39Å; Y340-I380 HydrophobicContact CG-CG2 4.32Å |
| 341 | N | 54 | Low | 58.6 | Low | 117 Ų | 117 | 70.8 Ų | 70.8 | 63% | 0.626 | 36% | 0.36 | S | S | * | . | G | 310 helix | trans | -71.5 | -1.8 | 177.6 | -71.5 | -31.3 | 0 | 0 | 0 | 114.1 | K338 I339 | K338-N341 PolarHBondContact O-N 3.22Å; I339-N341 PolarHBondContact O-N 3.06Å; I339-N341 VanDerWaalsContact O-N 3.13Å |
| 342 | T | 52.7 | Low | 58.5 | Low | 52 Ų | 52 | 71.7 Ų | 71.7 | 32% | 0.319 | 36% | 0.364 | S | S | . | . | G | 310 helix | trans | -107.3 | 9.4 | -180 | 52.6 | 0 | 0 | 0 | 0 | 114.6 | N304 I339 Y340 E344 | N304-T342 HydrophobicContact CB-CG2 4.27Å; N304-T342 WeakPolarHBondContact CB-OG1 3.46Å; N304-T342 WeakPolarHBondContact ND2-CG2 3.08Å; N304-T342 PolarHBondContact ND2-OG1 3.29Å; I339-T342 PolarHBondContact O-N 3.01Å; I339-T342 VanDerWaalsContact O-N 3.15Å; I339-T342 PolarHBondContact O-OG1 2.84Å; Y340-T342 PolarHBondContact O-N 2.7Å; Y340-T342 VanDerWaalsContact O-N 3.08Å; T342-E344 PolarHBondContact O-N 3.49Å |
| 343 | Y | 52.8 | Low | 59 | Low | 58 Ų | 58 | 69.7 Ų | 69.7 | 23% | 0.227 | 35% | 0.35 | C | S | . | . | trans | -71.6 | 107.3 | 170.9 | -58.9 | -54.3 | 0 | 0 | 0 | 109.7 | L308 Y340 F353 | L308-Y343 HydrophobicContact CD1-CE1 3.8Å; L308-Y343 WeakPolarHBondContact CD1-OH 3.2Å; L308-Y343 HydrophobicContact CD2-CE1 3.57Å; L308-Y343 HydrophobicContact CG-CE1 4.26Å; Y340-Y343 VanDerWaalsContact CB-CE2 3.46Å; Y340-Y343 WeakPolarHBondContact O-CD2 3.17Å; Y340-Y343 PolarHBondContact O-N 2.86Å; Y343-F353 HydrophobicContact CE2-CE2 4.22Å; Y343-F353 HydrophobicContact CE2-CZ 4.43Å | ||
| 344 | E | 47.3 | Very low | 59.8 | Low | 169 Ų | 169 | 71.5 Ų | 71.5 | 79% | 0.79 | 36% | 0.357 | S | S | * | . | trans | -75.2 | 128.7 | 150.4 | -69.7 | 178.8 | 174 | 0 | 0 | 106 | T342 T346 | T342-E344 PolarHBondContact O-N 3.49Å; E344-T346 VanDerWaalsContact C-N 3.31Å; E344-T346 PolarHBondContact O-N 3.35Å | ||
| 345 | D | 44.1 | Very low | 60.2 | Low | 167 Ų | 167 | 73.8 Ų | 73.8 | 89% | 0.893 | 37% | 0.373 | S | S | * | . | trans | -50.2 | 79.7 | -173.6 | -71.3 | -45.6 | 0 | 0 | 0 | 114.1 | ||||
| 346 | T | 47.2 | Very low | 60.6 | Low | 72 Ų | 72 | 72.6 Ų | 72.6 | 44% | 0.442 | 37% | 0.366 | S | S | . | . | trans | -105.8 | 121.9 | 167 | 57.6 | 0 | 0 | 0 | 0 | 109 | E344 D348 W349 | E344-T346 VanDerWaalsContact C-N 3.31Å; E344-T346 PolarHBondContact O-N 3.35Å; T346-D348 PolarHBondContact O-N 2.84Å; T346-W349 PolarHBondContact O-N 3.07Å; T346-W349 PolarHBondContact OG1-NE1 2.84Å | ||
| 347 | D | 53.5 | Low | 61.6 | Low | 150 Ų | 150 | 68.1 Ų | 68.1 | 80% | 0.802 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.4 | -25.4 | -174.3 | -67.7 | -42.1 | 0 | 0 | 0 | 114.9 | W349 | D347-W349 VanDerWaalsContact C-N 3.32Å; D347-W349 PolarHBondContact O-N 3.13Å |
| 348 | D | 57.5 | Low | 62.8 | Low | 122 Ų | 122 | 68.8 Ų | 68.8 | 65% | 0.652 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -64.3 | -27.5 | -173.9 | -68.7 | -27.1 | 0 | 0 | 0 | 114.4 | T346 | T346-D348 PolarHBondContact O-N 2.84Å |
| 349 | W | 60.6 | Low | 63.5 | Low | 33 Ų | 33 | 66.5 Ų | 66.5 | 13% | 0.125 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -83.7 | -36 | -175.1 | -51.7 | 113.2 | 0 | 0 | 0 | 113.4 | R305 L308 L309 L312 T346 D347 E351 W352 F353 | R305-W349 HydrophobicContact CG-CZ2 4.33Å; L308-W349 HydrophobicContact CB-CH2 4.11Å; L308-W349 HydrophobicContact CB-CZ3 3.99Å; L308-W349 HydrophobicContact CD2-CD2 3.56Å; L308-W349 HydrophobicContact CD2-CE3 3.08Å; L308-W349 HydrophobicContact CD2-CG 4.2Å; L308-W349 HydrophobicContact CD2-CH2 3.89Å; L308-W349 HydrophobicContact CD2-CZ2 4.4Å; L308-W349 HydrophobicContact CD2-CZ3 3.23Å; L308-W349 HydrophobicContact CG-CE3 4.33Å; L308-W349 HydrophobicContact CG-CZ3 4.08Å; L309-W349 HydrophobicContact CD2-CH2 3.32Å; L309-W349 HydrophobicContact CD2-CZ2 4.36Å; L309-W349 HydrophobicContact CD2-CZ3 3.82Å; L309-W349 HydrophobicContact CG-CH2 3.94Å; L312-W349 HydrophobicContact CD1-CE3 3.97Å; L312-W349 HydrophobicContact CD1-CH2 4.48Å; L312-W349 HydrophobicContact CD1-CZ3 3.44Å; L312-W349 VanDerWaalsContact CD1-CZ3 3.44Å; L312-W349 HydrophobicContact CG-CZ3 4.19Å; T346-W349 PolarHBondContact O-N 3.07Å; T346-W349 PolarHBondContact OG1-NE1 2.84Å; D347-W349 VanDerWaalsContact C-N 3.32Å; D347-W349 PolarHBondContact O-N 3.13Å; W349-E351 PolarHBondContact O-N 2.81Å; W349-W352 PolarHBondContact O-N 3.49Å; W349-W352 VanDerWaalsContact O-N 3.13Å; W349-F353 PolarHBondContact O-N 3.15Å |
| 350 | A | 65.1 | Low | 64.6 | Low | 25 Ų | 25 | 66.5 Ų | 66.5 | 21% | 0.207 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -60 | -38.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | W352 F353 F354 | A350-W352 VanDerWaalsContact C-N 3.26Å; A350-W352 PolarHBondContact O-N 3.19Å; A350-F353 PolarHBondContact O-N 3.05Å; A350-F354 VanDerWaalsContact C-CD2 3.49Å; A350-F354 HydrophobicContact CB-CD2 4.43Å; A350-F354 HydrophobicContact CB-CE2 3.74Å; A350-F354 HydrophobicContact CB-CZ 3.97Å; A350-F354 WeakPolarHBondContact O-CD2 3.36Å; A350-F354 WeakPolarHBondContact O-CG 3.32Å; A350-F354 PolarHBondContact O-N 2.98Å |
| 351 | E | 65.7 | Low | 65.8 | Low | 134 Ų | 134 | 65.1 Ų | 65.1 | 63% | 0.626 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -54.8 | -39.5 | 175.4 | -163.6 | -176 | -177 | 0 | 0 | 112.3 | W349 F354 S355 | W349-E351 PolarHBondContact O-N 2.81Å; E351-F354 PolarHBondContact O-N 2.84Å; E351-S355 PolarHBondContact O-N 3.33Å |
| 352 | W | 68.3 | Low | 66.9 | Low | 20 Ų | 20 | 66 Ų | 66 | 8% | 0.076 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -71.2 | -46.5 | 178.5 | 175.7 | 64 | 0 | 0 | 0 | 113 | L312 Y315 L334 W349 A350 F354 S355 I356 | L312-W352 HydrophobicContact CD2-CB 3.79Å; L312-W352 VanDerWaalsContact CD2-CD1 3.42Å; L312-W352 HydrophobicContact CD2-CD2 3.36Å; L312-W352 HydrophobicContact CD2-CE3 4.04Å; L312-W352 HydrophobicContact CD2-CG 3.22Å; L312-W352 HydrophobicContact CD2-CZ2 4.33Å; Y315-W352 AromaticContact CD1-CD1 3.95Å; Y315-W352 AromaticContact CD1-NE1 3.32Å; Y315-W352 VanDerWaalsContact CD1-NE1 3.32Å; Y315-W352 AromaticContact CE1-NE1 3.8Å; Y315-W352 HydrophobicContact CG-CZ2 4.42Å; Y315-W352 AromaticContact CG-NE1 3.45Å; L334-W352 HydrophobicContact CD1-CH2 3.92Å; L334-W352 HydrophobicContact CD1-CZ3 3.86Å; W349-W352 PolarHBondContact O-N 3.49Å; W349-W352 VanDerWaalsContact O-N 3.13Å; A350-W352 VanDerWaalsContact C-N 3.26Å; A350-W352 PolarHBondContact O-N 3.19Å; W352-F354 PolarHBondContact O-N 3.09Å; W352-S355 WeakPolarHBondContact O-CB 3.35Å; W352-S355 PolarHBondContact O-N 3.36Å; W352-I356 HydrophobicContact CD2-CD1 3.68Å; W352-I356 HydrophobicContact CD2-CG1 4.4Å; W352-I356 HydrophobicContact CE3-CD1 4.05Å; W352-I356 HydrophobicContact CG-CD1 4.44Å; W352-I356 HydrophobicContact CH2-CD1 3.55Å; W352-I356 HydrophobicContact CZ2-CD1 3.13Å; W352-I356 HydrophobicContact CZ2-CG1 4.21Å; W352-I356 HydrophobicContact CZ3-CD1 3.99Å; W352-I356 PolarHBondContact O-N 2.84Å |
| 353 | F | 76.7 | Confident | 67.7 | Low | 1 Ų | 1 | 64.7 Ų | 64.7 | 0% | 0.004 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -60.8 | -35.9 | 176 | -69.1 | -39.6 | 0 | 0 | 0 | 111.4 | L331 L334 Y343 W349 A350 R357 F377 I380 H381 V384 | L331-F353 HydrophobicContact CD2-CE1 4.25Å; L334-F353 HydrophobicContact CD1-CE1 4.16Å; Y343-F353 HydrophobicContact CE2-CE2 4.22Å; Y343-F353 HydrophobicContact CE2-CZ 4.43Å; W349-F353 PolarHBondContact O-N 3.15Å; A350-F353 PolarHBondContact O-N 3.05Å; F353-R357 WeakPolarHBondContact O-CB 3.45Å; F353-R357 PolarHBondContact O-N 3.37Å; F353-R357 VanDerWaalsContact O-N 3.07Å; F353-F377 HydrophobicContact CB-CD1 4.46Å; F353-F377 HydrophobicContact CB-CE1 3.9Å; F353-F377 HydrophobicContact CD1-CD1 4.28Å; F353-F377 AromaticContact CD1-CE1 3.53Å; F353-F377 HydrophobicContact CD1-CE1 3.53Å; F353-F377 HydrophobicContact CD1-CZ 4.49Å; F353-F377 HydrophobicContact CE1-CE1 4.22Å; F353-F377 AromaticContact CG-CE1 4Å; F353-F377 HydrophobicContact CG-CE1 4Å; F353-I380 HydrophobicContact CE1-CG2 4.41Å; F353-I380 HydrophobicContact CE2-CG2 4.24Å; F353-I380 HydrophobicContact CZ-CG2 3.74Å; F353-H381 HydrophobicContact CD2-CB 3.87Å; F353-H381 AromaticContact CD2-CD2 3.91Å; F353-H381 AromaticContact CD2-CG 3.93Å; F353-H381 HydrophobicContact CE2-CB 3.91Å; F353-H381 AromaticContact CE2-CD2 4Å; F353-V384 HydrophobicContact CB-CB 4.31Å; F353-V384 HydrophobicContact CB-CG1 4.09Å; F353-V384 HydrophobicContact CB-CG2 3.35Å; F353-V384 HydrophobicContact CD2-CG2 4.28Å; F353-V384 HydrophobicContact CG-CG2 4.22Å; F353-V384 WeakPolarHBondContact O-CG1 3.4Å |
| 354 | F | 80.1 | Confident | 68.1 | Low | 50 Ų | 50 | 67.9 Ų | 67.9 | 22% | 0.219 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -62.9 | -45.4 | 170.9 | -59.3 | -32.7 | 0 | 0 | 0 | 112 | A350 E351 W352 I356 R357 D358 V384 L387 | A350-F354 VanDerWaalsContact C-CD2 3.49Å; A350-F354 HydrophobicContact CB-CD2 4.43Å; A350-F354 HydrophobicContact CB-CE2 3.74Å; A350-F354 HydrophobicContact CB-CZ 3.97Å; A350-F354 WeakPolarHBondContact O-CD2 3.36Å; A350-F354 WeakPolarHBondContact O-CG 3.32Å; A350-F354 PolarHBondContact O-N 2.98Å; E351-F354 PolarHBondContact O-N 2.84Å; W352-F354 PolarHBondContact O-N 3.09Å; F354-I356 PolarHBondContact O-N 3.4Å; F354-R357 VanDerWaalsContact CD1-NH1 3.28Å; F354-R357 PolarHBondContact O-N 3.46Å; F354-D358 WeakPolarHBondContact O-CB 3.21Å; F354-D358 PolarHBondContact O-N 2.77Å; F354-V384 HydrophobicContact CD1-CB 4.21Å; F354-V384 HydrophobicContact CD1-CG1 4.22Å; F354-V384 HydrophobicContact CD1-CG2 3.74Å; F354-V384 HydrophobicContact CE1-CB 4.2Å; F354-V384 HydrophobicContact CE1-CG2 3.59Å; F354-L387 HydrophobicContact CD1-CD1 4.4Å; F354-L387 HydrophobicContact CE1-CD1 3.5Å; F354-L387 VanDerWaalsContact CE1-CD1 3.5Å; F354-L387 HydrophobicContact CE2-CD1 4.42Å; F354-L387 HydrophobicContact CZ-CD1 3.51Å |
| 355 | S | 74.9 | Confident | 68.8 | Low | 48 Ų | 48 | 64.9 Ų | 64.9 | 34% | 0.336 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -59.2 | -45.7 | 177.3 | -172.5 | 0 | 0 | 0 | 0 | 112.6 | E351 W352 D358 E359 | E351-S355 PolarHBondContact O-N 3.33Å; W352-S355 WeakPolarHBondContact O-CB 3.35Å; W352-S355 PolarHBondContact O-N 3.36Å; S355-D358 PolarHBondContact O-N 3.28Å; S355-E359 WeakPolarHBondContact O-CG 3.35Å; S355-E359 PolarHBondContact O-N 3.35Å |
| 356 | I | 76 | Confident | 70.1 | Confident | 1 Ų | 1 | 58.8 Ų | 58.8 | 1% | 0.005 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -63.1 | -49.5 | 178.2 | -66.1 | 168.5 | 0 | 0 | 0 | 110.3 | Y315 L331 W352 F354 D358 E359 L360 F377 | Y315-I356 HydrophobicContact CD2-CD1 4.43Å; Y315-I356 HydrophobicContact CD2-CG1 4.03Å; Y315-I356 HydrophobicContact CE1-CG1 4.45Å; Y315-I356 HydrophobicContact CE2-CB 4.46Å; Y315-I356 HydrophobicContact CE2-CD1 4.37Å; Y315-I356 HydrophobicContact CE2-CG1 3.51Å; L331-I356 HydrophobicContact CD1-CG2 4.46Å; W352-I356 HydrophobicContact CD2-CD1 3.68Å; W352-I356 HydrophobicContact CD2-CG1 4.4Å; W352-I356 HydrophobicContact CE3-CD1 4.05Å; W352-I356 HydrophobicContact CG-CD1 4.44Å; W352-I356 HydrophobicContact CH2-CD1 3.55Å; W352-I356 HydrophobicContact CZ2-CD1 3.13Å; W352-I356 HydrophobicContact CZ2-CG1 4.21Å; W352-I356 HydrophobicContact CZ3-CD1 3.99Å; W352-I356 PolarHBondContact O-N 2.84Å; F354-I356 PolarHBondContact O-N 3.4Å; I356-D358 PolarHBondContact O-N 2.73Å; I356-E359 PolarHBondContact O-N 3.41Å; I356-L360 HydrophobicContact CG2-CD1 3.94Å; I356-L360 HydrophobicContact CG2-CG 4.1Å; I356-L360 WeakPolarHBondContact O-CG 3.33Å; I356-L360 PolarHBondContact O-N 3.29Å; I356-F377 HydrophobicContact CB-CE2 4.3Å; I356-F377 HydrophobicContact CB-CZ 3.68Å; I356-F377 HydrophobicContact CD1-CZ 4.13Å; I356-F377 HydrophobicContact CG2-CE2 3.73Å; I356-F377 HydrophobicContact CG2-CZ 3.5Å |
| 357 | R | 85.1 | Confident | 71.2 | Confident | 12 Ų | 12 | 56.9 Ų | 56.9 | 5% | 0.045 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -55.3 | -45.1 | 178.8 | 174.6 | -154.1 | 67.2 | -155.7 | -8.8 | 110.7 | F353 F354 L360 L361 M374 V384 | F353-R357 WeakPolarHBondContact O-CB 3.45Å; F353-R357 PolarHBondContact O-N 3.37Å; F353-R357 VanDerWaalsContact O-N 3.07Å; F354-R357 VanDerWaalsContact CD1-NH1 3.28Å; F354-R357 PolarHBondContact O-N 3.46Å; R357-L360 PolarHBondContact O-N 2.83Å; R357-L361 HydrophobicContact CG-CD1 4.11Å; R357-L361 WeakPolarHBondContact O-CB 2.94Å; R357-L361 VanDerWaalsContact O-CG 3.32Å; R357-L361 WeakPolarHBondContact O-CG 3.31Å; R357-L361 PolarHBondContact O-N 2.94Å; R357-M374 HydrophobicContact CG-CE 4.12Å; R357-M374 HydrophobicContact CG-SD 4.4Å; R357-V384 HydrophobicContact CB-CG1 3.81Å; R357-V384 WeakPolarHBondContact CD-O 3.38Å; R357-V384 HydrophobicContact CG-CG1 4.23Å; R357-V384 PolarHBondContact NH1-O 3.37Å |
| 358 | D | 83.1 | Confident | 72 | Confident | 54 Ų | 54 | 50.8 Ų | 50.8 | 29% | 0.289 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -67.3 | -37.1 | -178.9 | -66.2 | -15.3 | 0 | 0 | 0 | 111.4 | F354 S355 I356 L361 N362 | F354-D358 WeakPolarHBondContact O-CB 3.21Å; F354-D358 PolarHBondContact O-N 2.77Å; S355-D358 PolarHBondContact O-N 3.28Å; I356-D358 PolarHBondContact O-N 2.73Å; D358-L361 PolarHBondContact O-N 3.44Å; D358-N362 WeakPolarHBondContact O-CB 3.43Å; D358-N362 PolarHBondContact O-N 3.5Å; D358-N362 PolarHBondContact O-ND2 2.91Å |
| 359 | E | 76.5 | Confident | 72.6 | Confident | 55 Ų | 55 | 48.7 Ų | 48.7 | 26% | 0.257 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -65.7 | -42.1 | 172 | -75.1 | -175.6 | -143.3 | 0 | 0 | 112.7 | Y315 R323 S355 I356 L361 N362 A363 | Y315-E359 PolarHBondContact OH-OE1 3.31Å; Y315-E359 PolarHBondContact OH-OE2 3.43Å; Y315-E359 VanDerWaalsContact OH-OE2 3.05Å; R323-E359 WeakPolarHBondContact CD-OE2 3.46Å; R323-E359 IonicContact CZ-OE2 2.75Å; R323-E359 IonicContact NE-OE2 3.3Å; R323-E359 VanDerWaalsContact NH1-CD 3.29Å; R323-E359 IonicContact NH1-OE1 2.97Å; R323-E359 PolarHBondContact NH1-OE1 3.13Å; R323-E359 IonicContact NH1-OE2 2.88Å; R323-E359 PolarHBondContact NH1-OE2 3.37Å; S355-E359 WeakPolarHBondContact O-CG 3.35Å; S355-E359 PolarHBondContact O-N 3.35Å; I356-E359 PolarHBondContact O-N 3.41Å; E359-L361 VanDerWaalsContact C-N 3.32Å; E359-L361 PolarHBondContact O-N 2.95Å; E359-N362 PolarHBondContact O-N 3.45Å; E359-A363 PolarHBondContact O-N 3.15Å; E359-A363 VanDerWaalsContact O-N 3.13Å |
| 360 | L | 78.5 | Confident | 73.4 | Confident | 2 Ų | 2 | 47.2 Ų | 47.2 | 1% | 0.01 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -60.6 | -41.9 | 173.9 | -70.6 | 176.6 | 0 | 0 | 0 | 111.3 | V324 I356 R357 N362 A363 F370 A373 M374 F377 | V324-L360 HydrophobicContact CB-CD2 4.07Å; V324-L360 HydrophobicContact CG1-CD2 3.62Å; V324-L360 HydrophobicContact CG2-CD2 4.08Å; I356-L360 HydrophobicContact CG2-CD1 3.94Å; I356-L360 HydrophobicContact CG2-CG 4.1Å; I356-L360 WeakPolarHBondContact O-CG 3.33Å; I356-L360 PolarHBondContact O-N 3.29Å; R357-L360 PolarHBondContact O-N 2.83Å; L360-N362 VanDerWaalsContact C-N 3.31Å; L360-N362 PolarHBondContact O-N 3.47Å; L360-A363 WeakPolarHBondContact O-CB 3.16Å; L360-A363 PolarHBondContact O-N 3.45Å; L360-F370 HydrophobicContact CB-CD2 3.96Å; L360-F370 HydrophobicContact CB-CE2 3.93Å; L360-F370 HydrophobicContact CD2-CD2 4.49Å; L360-F370 WeakPolarHBondContact O-CE2 3.28Å; L360-A373 HydrophobicContact CD1-CB 3.9Å; L360-M374 HydrophobicContact CB-CE 3.61Å; L360-M374 HydrophobicContact CD1-CE 3.8Å; L360-M374 HydrophobicContact CG-CE 4.37Å; L360-F377 HydrophobicContact CD1-CD2 4.44Å; L360-F377 HydrophobicContact CD1-CE2 3.81Å |
| 361 | L | 81.2 | Confident | 74.4 | Confident | 26 Ų | 26 | 46 Ų | 46 | 14% | 0.136 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -67.1 | -31.6 | 177.4 | -75.5 | 173.9 | 0 | 0 | 0 | 112.8 | R357 D358 E359 A363 F370 M374 K388 D391 I392 A395 | R357-L361 HydrophobicContact CG-CD1 4.11Å; R357-L361 WeakPolarHBondContact O-CB 2.94Å; R357-L361 VanDerWaalsContact O-CG 3.32Å; R357-L361 WeakPolarHBondContact O-CG 3.31Å; R357-L361 PolarHBondContact O-N 2.94Å; D358-L361 PolarHBondContact O-N 3.44Å; E359-L361 VanDerWaalsContact C-N 3.32Å; E359-L361 PolarHBondContact O-N 2.95Å; L361-A363 VanDerWaalsContact C-N 3.35Å; L361-F370 HydrophobicContact CD2-CZ 4.37Å; L361-M374 HydrophobicContact CD2-CE 4.39Å; L361-M374 HydrophobicContact CG-CE 4.21Å; L361-K388 HydrophobicContact CD1-CB 4.26Å; L361-D391 HydrophobicContact CD1-CB 4.11Å; L361-I392 HydrophobicContact CD1-CG1 4.26Å; L361-I392 HydrophobicContact CD2-CG1 3.85Å; L361-I392 HydrophobicContact CG-CG1 4.47Å; L361-A395 HydrophobicContact CD2-CB 3.97Å |
| 362 | N | 78 | Confident | 75 | Confident | 135 Ų | 135 | 42.3 Ų | 42.3 | 72% | 0.722 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -83.1 | -7.6 | 178.2 | -70.7 | -31 | 0 | 0 | 0 | 113.7 | D358 E359 L360 | D358-N362 WeakPolarHBondContact O-CB 3.43Å; D358-N362 PolarHBondContact O-N 3.5Å; D358-N362 PolarHBondContact O-ND2 2.91Å; E359-N362 PolarHBondContact O-N 3.45Å; L360-N362 VanDerWaalsContact C-N 3.31Å; L360-N362 PolarHBondContact O-N 3.47Å |
| 363 | A | 69.6 | Low | 75.5 | Confident | 25 Ų | 25 | 41.4 Ų | 41.4 | 21% | 0.207 | 24% | 0.236 | C | C | . | . | trans | -66.1 | 135.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | V324 E359 L360 L361 | V324-A363 HydrophobicContact CG2-CB 3.96Å; E359-A363 PolarHBondContact O-N 3.15Å; E359-A363 VanDerWaalsContact O-N 3.13Å; L360-A363 WeakPolarHBondContact O-CB 3.16Å; L360-A363 PolarHBondContact O-N 3.45Å; L361-A363 VanDerWaalsContact C-N 3.35Å | ||
| 364 | S | 61.8 | Low | 76 | Confident | 124 Ų | 124 | 41.3 Ų | 41.3 | 87% | 0.867 | 24% | 0.236 | S | C | * | . | S | Bend | trans | -74.8 | -26.9 | -176.5 | 54 | 0 | 0 | 0 | 0 | 113.9 | ||
| 365 | V | 62.3 | Low | 76.3 | Confident | 106 Ų | 106 | 40.2 Ų | 40.2 | 64% | 0.642 | 23% | 0.231 | S | C | * | . | S | Bend | trans | -123 | 128.6 | 179.3 | -178.8 | 0 | 0 | 0 | 0 | 108.1 | ||
| 366 | R | 71 | Confident | 76.6 | Confident | 40 Ų | 40 | 39 Ų | 39 | 15% | 0.151 | 22% | 0.22 | C | C | . | . | trans | -94 | 135.3 | 172.6 | -65.5 | 176.1 | -172.5 | 100.3 | 11.7 | 108 | F370 A395 Q405 | R366-F370 HydrophobicContact CB-CB 4.45Å; R366-F370 HydrophobicContact CB-CD1 4.46Å; R366-F370 HydrophobicContact CB-CG 4.43Å; R366-F370 HydrophobicContact CG-CD1 4.26Å; R366-F370 HydrophobicContact CG-CD2 4.46Å; R366-F370 HydrophobicContact CG-CG 4.23Å; R366-A395 PolarHBondContact NE-O 3.15Å; R366-A395 PolarHBondContact NH1-O 2.97Å; R366-A395 VanDerWaalsContact NH2-CB 3.29Å; R366-Q405 PolarHBondContact O-NE2 3.46Å; R366-Q405 PolarHBondContact O-OE1 3.02Å | ||
| 367 | S | 69.7 | Low | 77 | Confident | 32 Ų | 32 | 39 Ų | 39 | 22% | 0.224 | 22% | 0.22 | C | C | . | . | trans | -118.9 | 168.1 | 176.6 | 69.6 | 0 | 0 | 0 | 0 | 108.9 | E369 F370 | S367-E369 WeakPolarHBondContact CB-OE2 3.4Å; S367-E369 PolarHBondContact O-N 2.87Å; S367-E369 VanDerWaalsContact O-N 3.07Å; S367-E369 PolarHBondContact OG-OE2 3.05Å; S367-F370 VanDerWaalsContact O-CB 3.29Å; S367-F370 WeakPolarHBondContact O-CB 3.41Å; S367-F370 PolarHBondContact O-N 3.05Å | ||
| 368 | A | 70.3 | Confident | 77.1 | Confident | 21 Ų | 21 | 38.8 Ų | 38.8 | 17% | 0.174 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -51.7 | -34.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | F370 Y371 I372 E408 | A368-F370 VanDerWaalsContact C-N 3.32Å; A368-F370 PolarHBondContact O-N 2.95Å; A368-Y371 PolarHBondContact O-N 3.31Å; A368-I372 WeakPolarHBondContact O-CG1 3.27Å; A368-I372 PolarHBondContact O-N 3.3Å; A368-I372 VanDerWaalsContact O-N 3.11Å; A368-E408 HydrophobicContact CB-CG 4.11Å |
| 369 | E | 70 | Confident | 77 | Confident | 78 Ų | 78 | 40.6 Ų | 40.6 | 36% | 0.364 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -62 | -33.8 | 176.6 | -59.4 | 81.6 | 179.5 | 0 | 0 | 113.2 | C328 S367 Y371 I372 A373 | C328-E369 HydrophobicContact CB-CB 3.87Å; C328-E369 VanDerWaalsContact SG-C 3.52Å; C328-E369 PolarHBondContact SG-O 3.01Å; S367-E369 WeakPolarHBondContact CB-OE2 3.4Å; S367-E369 PolarHBondContact O-N 2.87Å; S367-E369 VanDerWaalsContact O-N 3.07Å; S367-E369 PolarHBondContact OG-OE2 3.05Å; E369-Y371 VanDerWaalsContact C-N 3.34Å; E369-Y371 PolarHBondContact O-N 3.09Å; E369-I372 PolarHBondContact O-N 3.21Å; E369-A373 WeakPolarHBondContact O-CB 3.25Å; E369-A373 PolarHBondContact O-N 2.82Å |
| 370 | F | 78.1 | Confident | 76.9 | Confident | 2 Ų | 2 | 38.4 Ų | 38.4 | 1% | 0.009 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -57.8 | -47.4 | 174.8 | 169.9 | -89.7 | 0 | 0 | 0 | 111.3 | L360 L361 R366 S367 A368 A373 M374 A395 | L360-F370 HydrophobicContact CB-CD2 3.96Å; L360-F370 HydrophobicContact CB-CE2 3.93Å; L360-F370 HydrophobicContact CD2-CD2 4.49Å; L360-F370 WeakPolarHBondContact O-CE2 3.28Å; L361-F370 HydrophobicContact CD2-CZ 4.37Å; R366-F370 HydrophobicContact CB-CB 4.45Å; R366-F370 HydrophobicContact CB-CD1 4.46Å; R366-F370 HydrophobicContact CB-CG 4.43Å; R366-F370 HydrophobicContact CG-CD1 4.26Å; R366-F370 HydrophobicContact CG-CD2 4.46Å; R366-F370 HydrophobicContact CG-CG 4.23Å; S367-F370 VanDerWaalsContact O-CB 3.29Å; S367-F370 WeakPolarHBondContact O-CB 3.41Å; S367-F370 PolarHBondContact O-N 3.05Å; A368-F370 VanDerWaalsContact C-N 3.32Å; A368-F370 PolarHBondContact O-N 2.95Å; F370-A373 PolarHBondContact O-N 3.37Å; F370-M374 HydrophobicContact CD2-CE 4.36Å; F370-M374 HydrophobicContact CE1-CG 4.13Å; F370-M374 HydrophobicContact CE2-CE 3.58Å; F370-M374 HydrophobicContact CE2-CG 4.34Å; F370-M374 HydrophobicContact CZ-CE 3.83Å; F370-M374 HydrophobicContact CZ-CG 4.01Å; F370-M374 WeakPolarHBondContact O-CG 3.26Å; F370-M374 PolarHBondContact O-N 3.28Å; F370-A395 HydrophobicContact CZ-CB 4.44Å |
| 371 | Y | 84.9 | Confident | 76.8 | Confident | 1 Ų | 1 | 40.6 Ų | 40.6 | 0% | 0.004 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -67.6 | -43.8 | -179.5 | -66 | -71.5 | 0 | 0 | 0 | 111.6 | A368 E369 A373 M374 E375 T396 D399 K409 F412 | A368-Y371 PolarHBondContact O-N 3.31Å; E369-Y371 VanDerWaalsContact C-N 3.34Å; E369-Y371 PolarHBondContact O-N 3.09Å; Y371-A373 VanDerWaalsContact C-N 3.31Å; Y371-A373 PolarHBondContact O-N 2.71Å; Y371-M374 PolarHBondContact O-N 2.82Å; Y371-E375 WeakPolarHBondContact O-CB 3.32Å; Y371-E375 PolarHBondContact O-N 2.74Å; Y371-T396 HydrophobicContact CD1-CG2 4.3Å; Y371-T396 HydrophobicContact CE1-CG2 3.59Å; Y371-D399 WeakPolarHBondContact CE2-OD2 3.5Å; Y371-D399 VanDerWaalsContact CZ-OD2 3.3Å; Y371-D399 VanDerWaalsContact OH-CB 3.22Å; Y371-D399 WeakPolarHBondContact OH-CB 3.37Å; Y371-D399 VanDerWaalsContact OH-CG 3.27Å; Y371-D399 PolarHBondContact OH-OD2 2.99Å; Y371-K409 HydrophobicContact CD1-CB 4.06Å; Y371-K409 HydrophobicContact CD1-CG 4.32Å; Y371-K409 HydrophobicContact CD2-CB 4.23Å; Y371-K409 HydrophobicContact CE1-CB 3.76Å; Y371-K409 HydrophobicContact CE1-CD 4.41Å; Y371-K409 HydrophobicContact CE1-CG 3.64Å; Y371-K409 HydrophobicContact CE2-CB 3.98Å; Y371-K409 HydrophobicContact CE2-CG 4.48Å; Y371-K409 HydrophobicContact CG-CB 4.26Å; Y371-F412 HydrophobicContact CD1-CB 4.33Å; Y371-F412 HydrophobicContact CD1-CD1 4.17Å |
| 372 | I | 80.1 | Confident | 76.8 | Confident | 56 Ų | 56 | 41 Ų | 41 | 29% | 0.287 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -57.3 | -46.4 | 174.5 | -65.6 | 167.7 | 0 | 0 | 0 | 110 | A368 E369 E375 Q376 E408 | A368-I372 WeakPolarHBondContact O-CG1 3.27Å; A368-I372 PolarHBondContact O-N 3.3Å; A368-I372 VanDerWaalsContact O-N 3.11Å; E369-I372 PolarHBondContact O-N 3.21Å; I372-E375 WeakPolarHBondContact O-CB 3.48Å; I372-E375 PolarHBondContact O-N 2.87Å; I372-Q376 HydrophobicContact CG2-CG 4.39Å; I372-Q376 VanDerWaalsContact O-CG 3.26Å; I372-Q376 WeakPolarHBondContact O-CG 3.5Å; I372-Q376 PolarHBondContact O-N 3.23Å; I372-E408 HydrophobicContact CD1-CG 4.2Å; I372-E408 HydrophobicContact CG1-CG 4.09Å |
| 373 | A | 78.4 | Confident | 76.9 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -64.4 | -42.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | C328 L331 L360 E369 F370 Y371 E375 Q376 F377 | C328-A373 HydrophobicContact CB-CB 4.13Å; C328-A373 WeakPolarHBondContact SG-CB 3.37Å; L331-A373 HydrophobicContact CD1-CB 3.8Å; L360-A373 HydrophobicContact CD1-CB 3.9Å; E369-A373 WeakPolarHBondContact O-CB 3.25Å; E369-A373 PolarHBondContact O-N 2.82Å; F370-A373 PolarHBondContact O-N 3.37Å; Y371-A373 VanDerWaalsContact C-N 3.31Å; Y371-A373 PolarHBondContact O-N 2.71Å; A373-E375 VanDerWaalsContact C-N 3.28Å; A373-E375 PolarHBondContact O-N 2.77Å; A373-Q376 PolarHBondContact O-N 3.24Å; A373-F377 VanDerWaalsContact O-CD2 3.27Å; A373-F377 WeakPolarHBondContact O-CD2 3.11Å; A373-F377 PolarHBondContact O-N 3.36Å |
| 374 | M | 85.6 | Confident | 77.5 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -64.1 | -36.7 | 175.5 | -70.4 | -62.8 | 173.5 | 0 | 0 | 111.5 | R357 L360 L361 F370 Y371 F377 L378 I392 F412 | R357-M374 HydrophobicContact CG-CE 4.12Å; R357-M374 HydrophobicContact CG-SD 4.4Å; L360-M374 HydrophobicContact CB-CE 3.61Å; L360-M374 HydrophobicContact CD1-CE 3.8Å; L360-M374 HydrophobicContact CG-CE 4.37Å; L361-M374 HydrophobicContact CD2-CE 4.39Å; L361-M374 HydrophobicContact CG-CE 4.21Å; F370-M374 HydrophobicContact CD2-CE 4.36Å; F370-M374 HydrophobicContact CE1-CG 4.13Å; F370-M374 HydrophobicContact CE2-CE 3.58Å; F370-M374 HydrophobicContact CE2-CG 4.34Å; F370-M374 HydrophobicContact CZ-CE 3.83Å; F370-M374 HydrophobicContact CZ-CG 4.01Å; F370-M374 WeakPolarHBondContact O-CG 3.26Å; F370-M374 PolarHBondContact O-N 3.28Å; Y371-M374 PolarHBondContact O-N 2.82Å; M374-F377 PolarHBondContact O-N 3.33Å; M374-F377 HydrophobicContact SD-CD2 4.28Å; M374-L378 PolarHBondContact O-N 2.98Å; M374-I392 HydrophobicContact SD-CD1 4.04Å; M374-I392 HydrophobicContact SD-CG1 4.38Å; M374-F412 HydrophobicContact CB-CD2 3.85Å; M374-F412 HydrophobicContact CB-CE1 4.33Å; M374-F412 HydrophobicContact CB-CE2 3.47Å; M374-F412 VanDerWaalsContact CB-CE2 3.47Å; M374-F412 HydrophobicContact CB-CG 4.43Å; M374-F412 HydrophobicContact CB-CZ 3.74Å |
| 375 | E | 86.5 | Confident | 78.7 | Confident | 27 Ų | 27 | 31 Ų | 31 | 13% | 0.126 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -65.4 | -42.9 | 172 | -174 | 167.2 | -161.3 | 0 | 0 | 111.8 | Y371 I372 A373 F377 L378 Q379 S411 F412 S415 | Y371-E375 WeakPolarHBondContact O-CB 3.32Å; Y371-E375 PolarHBondContact O-N 2.74Å; I372-E375 WeakPolarHBondContact O-CB 3.48Å; I372-E375 PolarHBondContact O-N 2.87Å; A373-E375 VanDerWaalsContact C-N 3.28Å; A373-E375 PolarHBondContact O-N 2.77Å; E375-F377 VanDerWaalsContact C-N 3.31Å; E375-F377 PolarHBondContact O-N 3.24Å; E375-L378 WeakPolarHBondContact O-CB 3.46Å; E375-L378 PolarHBondContact O-N 3.06Å; E375-Q379 WeakPolarHBondContact O-CG 3.44Å; E375-Q379 PolarHBondContact O-N 3.38Å; E375-Q379 VanDerWaalsContact O-N 3.09Å; E375-S411 PolarHBondContact OE2-OG 3.42Å; E375-F412 HydrophobicContact CB-CD2 3.98Å; E375-S415 WeakPolarHBondContact OE1-CB 3.42Å; E375-S415 PolarHBondContact OE1-OG 2.93Å |
| 376 | Q | 82.8 | Confident | 79.7 | Confident | 23 Ų | 23 | 27.2 Ų | 27.2 | 11% | 0.107 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -60.3 | -42 | 173.8 | -63.1 | -44.3 | -69.5 | 0 | 0 | 111.2 | L331 N335 I372 A373 L378 Q379 I380 | L331-Q376 HydrophobicContact CB-CB 3.83Å; L331-Q376 HydrophobicContact CB-CG 4.2Å; N335-Q376 VanDerWaalsContact CG-OE1 3.24Å; N335-Q376 PolarHBondContact ND2-OE1 3.46Å; I372-Q376 HydrophobicContact CG2-CG 4.39Å; I372-Q376 VanDerWaalsContact O-CG 3.26Å; I372-Q376 WeakPolarHBondContact O-CG 3.5Å; I372-Q376 PolarHBondContact O-N 3.23Å; A373-Q376 PolarHBondContact O-N 3.24Å; Q376-L378 VanDerWaalsContact C-N 3.32Å; Q376-L378 PolarHBondContact O-N 3.39Å; Q376-Q379 PolarHBondContact O-N 3.1Å; Q376-Q379 VanDerWaalsContact O-N 3.16Å; Q376-I380 HydrophobicContact CB-CD1 4.28Å; Q376-I380 WeakPolarHBondContact O-CB 3.32Å; Q376-I380 WeakPolarHBondContact O-CG1 3.48Å; Q376-I380 PolarHBondContact O-N 3.49Å |
| 377 | F | 84.5 | Confident | 80.4 | Confident | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -60.9 | -41.6 | 175 | -82.8 | -55.1 | 0 | 0 | 0 | 112.8 | L331 F353 I356 L360 A373 M374 E375 Q379 I380 H381 V384 V385 | L331-F377 HydrophobicContact CD1-CD1 4.49Å; L331-F377 HydrophobicContact CD1-CD2 3.87Å; L331-F377 HydrophobicContact CD1-CE1 4.01Å; L331-F377 HydrophobicContact CD1-CE2 3.32Å; L331-F377 HydrophobicContact CD1-CG 4.4Å; L331-F377 HydrophobicContact CD1-CZ 3.39Å; L331-F377 HydrophobicContact CD2-CD1 3.84Å; L331-F377 HydrophobicContact CD2-CE1 3.35Å; L331-F377 HydrophobicContact CD2-CE2 4.28Å; L331-F377 HydrophobicContact CD2-CG 4.45Å; L331-F377 HydrophobicContact CD2-CZ 3.59Å; L331-F377 HydrophobicContact CG-CE1 4.31Å; L331-F377 HydrophobicContact CG-CE2 4.43Å; L331-F377 HydrophobicContact CG-CZ 4.08Å; F353-F377 HydrophobicContact CB-CD1 4.46Å; F353-F377 HydrophobicContact CB-CE1 3.9Å; F353-F377 HydrophobicContact CD1-CD1 4.28Å; F353-F377 AromaticContact CD1-CE1 3.53Å; F353-F377 HydrophobicContact CD1-CE1 3.53Å; F353-F377 HydrophobicContact CD1-CZ 4.49Å; F353-F377 HydrophobicContact CE1-CE1 4.22Å; F353-F377 AromaticContact CG-CE1 4Å; F353-F377 HydrophobicContact CG-CE1 4Å; I356-F377 HydrophobicContact CB-CE2 4.3Å; I356-F377 HydrophobicContact CB-CZ 3.68Å; I356-F377 HydrophobicContact CD1-CZ 4.13Å; I356-F377 HydrophobicContact CG2-CE2 3.73Å; I356-F377 HydrophobicContact CG2-CZ 3.5Å; L360-F377 HydrophobicContact CD1-CD2 4.44Å; L360-F377 HydrophobicContact CD1-CE2 3.81Å; A373-F377 VanDerWaalsContact O-CD2 3.27Å; A373-F377 WeakPolarHBondContact O-CD2 3.11Å; A373-F377 PolarHBondContact O-N 3.36Å; M374-F377 PolarHBondContact O-N 3.33Å; M374-F377 HydrophobicContact SD-CD2 4.28Å; E375-F377 VanDerWaalsContact C-N 3.31Å; E375-F377 PolarHBondContact O-N 3.24Å; F377-Q379 PolarHBondContact O-N 3.47Å; F377-I380 PolarHBondContact O-N 2.94Å; F377-H381 CarbonylContact O-C 3.46Å; F377-H381 PolarHBondContact O-N 2.9Å; F377-V384 HydrophobicContact CD1-CB 4.48Å; F377-V384 HydrophobicContact CD1-CG1 3.96Å; F377-V384 HydrophobicContact CE1-CG1 4.29Å; F377-V384 HydrophobicContact CG-CG1 4.21Å; F377-V385 HydrophobicContact CB-CG2 3.53Å |
| 378 | L | 85.5 | Confident | 81.4 | Confident | 8 Ų | 8 | 32.5 Ų | 32.5 | 4% | 0.042 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -61.7 | -33.1 | 177.3 | -171.3 | 67.3 | 0 | 0 | 0 | 111.6 | M374 E375 Q376 P382 V385 S415 L416 Y419 | M374-L378 PolarHBondContact O-N 2.98Å; E375-L378 WeakPolarHBondContact O-CB 3.46Å; E375-L378 PolarHBondContact O-N 3.06Å; Q376-L378 VanDerWaalsContact C-N 3.32Å; Q376-L378 PolarHBondContact O-N 3.39Å; L378-P382 HydrophobicContact CD1-CB 4.49Å; L378-P382 VanDerWaalsContact O-CG 3.28Å; L378-P382 WeakPolarHBondContact O-CG 3.4Å; L378-V385 HydrophobicContact CB-CG2 4.11Å; L378-V385 HydrophobicContact CD1-CB 4.16Å; L378-V385 HydrophobicContact CD1-CG1 4.14Å; L378-V385 HydrophobicContact CD1-CG2 4.43Å; L378-S415 VanDerWaalsContact CD2-C 3.5Å; L378-S415 WeakPolarHBondContact CD2-O 3.47Å; L378-L416 HydrophobicContact CD1-CD1 4.01Å; L378-L416 HydrophobicContact CD2-CB 4.29Å; L378-L416 HydrophobicContact CD2-CD1 4.27Å; L378-Y419 HydrophobicContact CD1-CD1 3.64Å; L378-Y419 HydrophobicContact CD1-CD2 4.23Å; L378-Y419 HydrophobicContact CD1-CE1 4.22Å; L378-Y419 HydrophobicContact CD1-CG 3.65Å; L378-Y419 HydrophobicContact CG-CG 4.18Å |
| 379 | Q | 81.3 | Confident | 82.4 | Confident | 91 Ų | 91 | 32 Ų | 32 | 43% | 0.425 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -82.1 | -39 | 178.6 | -65.4 | -178.8 | 19.6 | 0 | 0 | 113.3 | N335 E375 Q376 F377 | N335-Q379 PolarHBondContact ND2-OE1 2.91Å; E375-Q379 WeakPolarHBondContact O-CG 3.44Å; E375-Q379 PolarHBondContact O-N 3.38Å; E375-Q379 VanDerWaalsContact O-N 3.09Å; Q376-Q379 PolarHBondContact O-N 3.1Å; Q376-Q379 VanDerWaalsContact O-N 3.16Å; F377-Q379 PolarHBondContact O-N 3.47Å |
| 380 | I | 74.7 | Confident | 83.3 | Confident | 10 Ų | 10 | 31.7 Ų | 31.7 | 5% | 0.051 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -81.1 | -50 | -175.9 | -66.2 | 169.5 | 0 | 0 | 0 | 111.5 | L331 L334 N335 Y340 F353 Q376 F377 | L331-I380 HydrophobicContact CD2-CD1 4.15Å; L331-I380 WeakPolarHBondContact O-CD1 3.35Å; L334-I380 HydrophobicContact CB-CD1 3.87Å; N335-I380 HydrophobicContact CB-CD1 3.92Å; N335-I380 HydrophobicContact CB-CG1 3.9Å; Y340-I380 HydrophobicContact CD1-CB 4.49Å; Y340-I380 HydrophobicContact CD1-CG1 4.19Å; Y340-I380 HydrophobicContact CD1-CG2 4.39Å; Y340-I380 HydrophobicContact CG-CG2 4.32Å; F353-I380 HydrophobicContact CE1-CG2 4.41Å; F353-I380 HydrophobicContact CE2-CG2 4.24Å; F353-I380 HydrophobicContact CZ-CG2 3.74Å; Q376-I380 HydrophobicContact CB-CD1 4.28Å; Q376-I380 WeakPolarHBondContact O-CB 3.32Å; Q376-I380 WeakPolarHBondContact O-CG1 3.48Å; Q376-I380 PolarHBondContact O-N 3.49Å; F377-I380 PolarHBondContact O-N 2.94Å |
| 381 | H | 77 | Confident | 83.9 | Confident | 48 Ų | 48 | 34.5 Ų | 34.5 | 22% | 0.222 | 18% | 0.177 | C | C | . | . | trans | -148.3 | 75.9 | -172.4 | -164.5 | -64.3 | 0 | 0 | 0 | 110.7 | F353 F377 V383 V384 | F353-H381 HydrophobicContact CD2-CB 3.87Å; F353-H381 AromaticContact CD2-CD2 3.91Å; F353-H381 AromaticContact CD2-CG 3.93Å; F353-H381 HydrophobicContact CE2-CB 3.91Å; F353-H381 AromaticContact CE2-CD2 4Å; F377-H381 CarbonylContact O-C 3.46Å; F377-H381 PolarHBondContact O-N 2.9Å; H381-V383 PolarHBondContact O-N 2.72Å; H381-V384 HydrophobicContact CB-CG2 4.11Å; H381-V384 WeakPolarHBondContact ND1-CG2 3.39Å; H381-V384 WeakPolarHBondContact O-CB 3.46Å; H381-V384 PolarHBondContact O-N 2.69Å | ||
| 382 | P | 81.5 | Confident | 84.1 | Confident | 35 Ų | 35 | 34.4 Ų | 34.4 | 23% | 0.227 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -55 | -28.9 | -169.1 | -19.4 | 21 | 0 | 0 | 0 | 115.5 | L378 V384 V385 S386 Y419 | L378-P382 HydrophobicContact CD1-CB 4.49Å; L378-P382 VanDerWaalsContact O-CG 3.28Å; L378-P382 WeakPolarHBondContact O-CG 3.4Å; P382-V384 PolarHBondContact O-N 2.99Å; P382-V385 PolarHBondContact O-N 3.15Å; P382-S386 WeakPolarHBondContact O-CB 3.34Å; P382-S386 PolarHBondContact O-N 2.98Å; P382-S386 PolarHBondContact O-OG 3.33Å; P382-Y419 HydrophobicContact CB-CD2 4.19Å; P382-Y419 HydrophobicContact CB-CE1 4Å; P382-Y419 HydrophobicContact CB-CE2 3.33Å; P382-Y419 WeakPolarHBondContact CB-OH 3.15Å; P382-Y419 HydrophobicContact CG-CD2 4.38Å; P382-Y419 HydrophobicContact CG-CE2 3.57Å |
| 383 | V | 80.5 | Confident | 84.4 | Confident | 73 Ų | 73 | 31.9 Ų | 31.9 | 44% | 0.442 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -59.1 | -30.2 | 177.3 | 175.8 | 0 | 0 | 0 | 0 | 112 | H381 S386 L387 | H381-V383 PolarHBondContact O-N 2.72Å; V383-S386 PolarHBondContact O-N 2.94Å; V383-L387 HydrophobicContact CG1-CD1 3.79Å; V383-L387 HydrophobicContact CG1-CG 3.98Å; V383-L387 WeakPolarHBondContact O-CB 3.48Å; V383-L387 VanDerWaalsContact O-CG 3.29Å; V383-L387 WeakPolarHBondContact O-CG 3.48Å; V383-L387 PolarHBondContact O-N 3.27Å |
| 384 | V | 82.1 | Confident | 84.7 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -63.4 | -47.2 | 178 | 170.7 | 0 | 0 | 0 | 0 | 110.6 | F353 F354 R357 F377 H381 P382 | F353-V384 HydrophobicContact CB-CB 4.31Å; F353-V384 HydrophobicContact CB-CG1 4.09Å; F353-V384 HydrophobicContact CB-CG2 3.35Å; F353-V384 HydrophobicContact CD2-CG2 4.28Å; F353-V384 HydrophobicContact CG-CG2 4.22Å; F353-V384 WeakPolarHBondContact O-CG1 3.4Å; F354-V384 HydrophobicContact CD1-CB 4.21Å; F354-V384 HydrophobicContact CD1-CG1 4.22Å; F354-V384 HydrophobicContact CD1-CG2 3.74Å; F354-V384 HydrophobicContact CE1-CB 4.2Å; F354-V384 HydrophobicContact CE1-CG2 3.59Å; R357-V384 HydrophobicContact CB-CG1 3.81Å; R357-V384 WeakPolarHBondContact CD-O 3.38Å; R357-V384 HydrophobicContact CG-CG1 4.23Å; R357-V384 PolarHBondContact NH1-O 3.37Å; F377-V384 HydrophobicContact CD1-CB 4.48Å; F377-V384 HydrophobicContact CD1-CG1 3.96Å; F377-V384 HydrophobicContact CE1-CG1 4.29Å; F377-V384 HydrophobicContact CG-CG1 4.21Å; H381-V384 HydrophobicContact CB-CG2 4.11Å; H381-V384 WeakPolarHBondContact ND1-CG2 3.39Å; H381-V384 WeakPolarHBondContact O-CB 3.46Å; H381-V384 PolarHBondContact O-N 2.69Å; P382-V384 PolarHBondContact O-N 2.99Å |
| 385 | V | 86.1 | Confident | 84.5 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -68.4 | -46.4 | 174.3 | -178.7 | 0 | 0 | 0 | 0 | 110.1 | F377 L378 P382 L387 K388 V389 I392 F412 L416 | F377-V385 HydrophobicContact CB-CG2 3.53Å; L378-V385 HydrophobicContact CB-CG2 4.11Å; L378-V385 HydrophobicContact CD1-CB 4.16Å; L378-V385 HydrophobicContact CD1-CG1 4.14Å; L378-V385 HydrophobicContact CD1-CG2 4.43Å; P382-V385 PolarHBondContact O-N 3.15Å; V385-L387 PolarHBondContact O-N 3.36Å; V385-K388 CarbonylContact O-C 3.6Å; V385-K388 PolarHBondContact O-N 2.94Å; V385-K388 VanDerWaalsContact O-N 3.1Å; V385-V389 WeakPolarHBondContact O-CA 3.46Å; V385-V389 PolarHBondContact O-N 3.14Å; V385-I392 HydrophobicContact CB-CD1 4.24Å; V385-I392 HydrophobicContact CG1-CD1 3.67Å; V385-F412 HydrophobicContact CG1-CZ 4.46Å; V385-L416 HydrophobicContact CG1-CD1 3.81Å |
| 386 | S | 84.3 | Confident | 84.3 | Confident | 27 Ų | 27 | 32.4 Ų | 32.4 | 19% | 0.189 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -62.3 | -38.1 | -172.4 | -55.1 | 0 | 0 | 0 | 0 | 113.3 | P382 V383 K388 V389 Y420 | P382-S386 WeakPolarHBondContact O-CB 3.34Å; P382-S386 PolarHBondContact O-N 2.98Å; P382-S386 PolarHBondContact O-OG 3.33Å; V383-S386 PolarHBondContact O-N 2.94Å; S386-K388 PolarHBondContact O-N 3.12Å; S386-V389 WeakPolarHBondContact O-CG1 3.46Å; S386-V389 PolarHBondContact O-N 3.27Å; S386-Y420 WeakPolarHBondContact CA-OH 3.47Å |
| 387 | L | 85.3 | Confident | 83.9 | Confident | 110 Ų | 110 | 32.4 Ų | 32.4 | 58% | 0.576 | 17% | 0.17 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -20 | 178.5 | -77.6 | 171.9 | 0 | 0 | 0 | 114 | F354 V383 V385 | F354-L387 HydrophobicContact CD1-CD1 4.4Å; F354-L387 HydrophobicContact CE1-CD1 3.5Å; F354-L387 VanDerWaalsContact CE1-CD1 3.5Å; F354-L387 HydrophobicContact CE2-CD1 4.42Å; F354-L387 HydrophobicContact CZ-CD1 3.51Å; V383-L387 HydrophobicContact CG1-CD1 3.79Å; V383-L387 HydrophobicContact CG1-CG 3.98Å; V383-L387 WeakPolarHBondContact O-CB 3.48Å; V383-L387 VanDerWaalsContact O-CG 3.29Å; V383-L387 WeakPolarHBondContact O-CG 3.48Å; V383-L387 PolarHBondContact O-N 3.27Å; V385-L387 PolarHBondContact O-N 3.36Å |
| 388 | K | 89.8 | Confident | 83.2 | Confident | 73 Ų | 73 | 40.4 Ų | 40.4 | 32% | 0.317 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -129.3 | 21.8 | -176.5 | -73.8 | -62.5 | -157.8 | 163.9 | 0 | 112.4 | L361 V385 S386 K390 D391 I392 | L361-K388 HydrophobicContact CD1-CB 4.26Å; V385-K388 CarbonylContact O-C 3.6Å; V385-K388 PolarHBondContact O-N 2.94Å; V385-K388 VanDerWaalsContact O-N 3.1Å; S386-K388 PolarHBondContact O-N 3.12Å; K388-K390 PolarHBondContact O-N 3.2Å; K388-K390 VanDerWaalsContact O-N 3.12Å; K388-D391 WeakPolarHBondContact CD-OD2 3.35Å; K388-D391 IonicContact NZ-OD2 2.93Å; K388-D391 PolarHBondContact NZ-OD2 3.41Å; K388-D391 PolarHBondContact O-N 2.87Å; K388-I392 HydrophobicContact CB-CD1 4.47Å; K388-I392 WeakPolarHBondContact O-CG1 3.41Å; K388-I392 PolarHBondContact O-N 2.97Å |
| 389 | V | 91.3 | Very high | 82.5 | Confident | 11 Ų | 11 | 40.7 Ų | 40.7 | 7% | 0.067 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -55.9 | -35.5 | -175.4 | 64.5 | 0 | 0 | 0 | 0 | 112.3 | V385 S386 I392 L393 L416 Y420 L429 T432 | V385-V389 WeakPolarHBondContact O-CA 3.46Å; V385-V389 PolarHBondContact O-N 3.14Å; S386-V389 WeakPolarHBondContact O-CG1 3.46Å; S386-V389 PolarHBondContact O-N 3.27Å; V389-I392 PolarHBondContact O-N 2.74Å; V389-L393 HydrophobicContact CG2-CD1 4.19Å; V389-L393 HydrophobicContact CG2-CG 4.45Å; V389-L393 WeakPolarHBondContact O-CB 3.48Å; V389-L393 WeakPolarHBondContact O-CG 3.33Å; V389-L393 PolarHBondContact O-N 2.83Å; V389-L416 HydrophobicContact CG2-CD1 4.39Å; V389-L416 HydrophobicContact CG2-CD2 4.16Å; V389-Y420 HydrophobicContact CG2-CE2 4.18Å; V389-L429 HydrophobicContact CG2-CD1 3.82Å; V389-T432 HydrophobicContact CG1-CG2 4.2Å |
| 390 | K | 90 | Very high | 81.5 | Confident | 70 Ų | 70 | 41.3 Ų | 41.3 | 30% | 0.304 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -62.6 | -50.3 | 174.3 | -173.3 | 168.2 | -178.6 | 161.2 | 0 | 112.3 | K388 I392 L393 I394 T432 E435 V436 D439 | K388-K390 PolarHBondContact O-N 3.2Å; K388-K390 VanDerWaalsContact O-N 3.12Å; K390-I392 VanDerWaalsContact C-N 3.26Å; K390-I392 PolarHBondContact O-N 2.85Å; K390-L393 PolarHBondContact O-N 3.43Å; K390-I394 HydrophobicContact CG-CD1 3.98Å; K390-I394 VanDerWaalsContact O-CG1 3.25Å; K390-I394 WeakPolarHBondContact O-CG1 3.45Å; K390-I394 PolarHBondContact O-N 3.03Å; K390-T432 VanDerWaalsContact CA-CG2 3.48Å; K390-T432 HydrophobicContact CB-CG2 3.6Å; K390-T432 HydrophobicContact CG-CG2 4.02Å; K390-E435 IonicContact NZ-OE2 2.8Å; K390-E435 PolarHBondContact NZ-OE2 3.28Å; K390-V436 HydrophobicContact CG-CG2 4.49Å; K390-D439 IonicContact NZ-OD2 3.15Å |
| 391 | D | 89 | Confident | 80.5 | Confident | 61 Ų | 61 | 43.3 Ų | 43.3 | 33% | 0.326 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -63.9 | -36.6 | -179.8 | -65.7 | -20.3 | 0 | 0 | 0 | 110.8 | L361 K388 A395 | L361-D391 HydrophobicContact CD1-CB 4.11Å; K388-D391 WeakPolarHBondContact CD-OD2 3.35Å; K388-D391 IonicContact NZ-OD2 2.93Å; K388-D391 PolarHBondContact NZ-OD2 3.41Å; K388-D391 PolarHBondContact O-N 2.87Å; D391-A395 VanDerWaalsContact O-CB 3.24Å; D391-A395 WeakPolarHBondContact O-CB 3.49Å; D391-A395 PolarHBondContact O-N 3.33Å |
| 392 | I | 89 | Confident | 79.4 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -65.8 | -47.9 | 175.5 | -65.7 | 168.8 | 0 | 0 | 0 | 111.2 | L361 M374 V385 K388 V389 K390 I394 A395 T396 F412 | L361-I392 HydrophobicContact CD1-CG1 4.26Å; L361-I392 HydrophobicContact CD2-CG1 3.85Å; L361-I392 HydrophobicContact CG-CG1 4.47Å; M374-I392 HydrophobicContact SD-CD1 4.04Å; M374-I392 HydrophobicContact SD-CG1 4.38Å; V385-I392 HydrophobicContact CB-CD1 4.24Å; V385-I392 HydrophobicContact CG1-CD1 3.67Å; K388-I392 HydrophobicContact CB-CD1 4.47Å; K388-I392 WeakPolarHBondContact O-CG1 3.41Å; K388-I392 PolarHBondContact O-N 2.97Å; V389-I392 PolarHBondContact O-N 2.74Å; K390-I392 VanDerWaalsContact C-N 3.26Å; K390-I392 PolarHBondContact O-N 2.85Å; I392-I394 VanDerWaalsContact C-N 3.35Å; I392-I394 PolarHBondContact O-N 2.97Å; I392-A395 WeakPolarHBondContact O-CA 3.32Å; I392-A395 WeakPolarHBondContact O-CB 3.41Å; I392-A395 PolarHBondContact O-N 3.5Å; I392-A395 VanDerWaalsContact O-N 3.13Å; I392-T396 HydrophobicContact CG2-CG2 4.44Å; I392-T396 WeakPolarHBondContact O-CG2 3.5Å; I392-T396 PolarHBondContact O-N 3.39Å; I392-T396 PolarHBondContact O-OG1 3.07Å; I392-F412 HydrophobicContact CG2-CE1 3.62Å; I392-F412 HydrophobicContact CG2-CZ 3.65Å |
| 393 | L | 88 | Confident | 78.4 | Confident | 2 Ų | 2 | 54 Ų | 54 | 1% | 0.01 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -64.1 | -39.3 | 177.3 | -73.6 | 172.2 | 0 | 0 | 0 | 112.1 | V389 K390 A395 T396 C397 L413 L416 L429 T432 Y433 V436 | V389-L393 HydrophobicContact CG2-CD1 4.19Å; V389-L393 HydrophobicContact CG2-CG 4.45Å; V389-L393 WeakPolarHBondContact O-CB 3.48Å; V389-L393 WeakPolarHBondContact O-CG 3.33Å; V389-L393 PolarHBondContact O-N 2.83Å; K390-L393 PolarHBondContact O-N 3.43Å; L393-A395 VanDerWaalsContact C-N 3.28Å; L393-A395 PolarHBondContact O-N 3.36Å; L393-T396 WeakPolarHBondContact CA-OG1 3.42Å; L393-T396 PolarHBondContact O-N 3.04Å; L393-T396 PolarHBondContact O-OG1 2.82Å; L393-C397 WeakPolarHBondContact O-CB 3.28Å; L393-C397 PolarHBondContact O-N 3.46Å; L393-C397 PolarHBondContact O-SG 3.44Å; L393-L413 HydrophobicContact CD2-CD2 3.78Å; L393-L416 HydrophobicContact CD2-CD2 3.99Å; L393-L416 HydrophobicContact CG-CD2 4.43Å; L393-L429 HydrophobicContact CD1-CD1 4.12Å; L393-T432 HydrophobicContact CD1-CG2 3.91Å; L393-Y433 HydrophobicContact CD1-CD2 4.15Å; L393-Y433 HydrophobicContact CD2-CD2 3.92Å; L393-Y433 HydrophobicContact CD2-CE2 4.17Å; L393-V436 HydrophobicContact CB-CB 4.43Å; L393-V436 HydrophobicContact CB-CG1 4.29Å; L393-V436 HydrophobicContact CB-CG2 3.68Å; L393-V436 HydrophobicContact CD1-CG2 4.39Å |
| 394 | I | 84.3 | Confident | 77.4 | Confident | 35 Ų | 35 | 58.8 Ų | 58.8 | 18% | 0.179 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -60 | -43.8 | 172.6 | -68.8 | 168.8 | 0 | 0 | 0 | 110.1 | K390 I392 C397 R398 V436 | K390-I394 HydrophobicContact CG-CD1 3.98Å; K390-I394 VanDerWaalsContact O-CG1 3.25Å; K390-I394 WeakPolarHBondContact O-CG1 3.45Å; K390-I394 PolarHBondContact O-N 3.03Å; I392-I394 VanDerWaalsContact C-N 3.35Å; I392-I394 PolarHBondContact O-N 2.97Å; I394-C397 PolarHBondContact O-N 2.93Å; I394-R398 HydrophobicContact CG2-CG 4.46Å; I394-R398 WeakPolarHBondContact O-CB 3.24Å; I394-R398 VanDerWaalsContact O-CG 3.31Å; I394-R398 WeakPolarHBondContact O-CG 3.17Å; I394-R398 PolarHBondContact O-N 3.46Å; I394-V436 HydrophobicContact CG1-CG1 4.28Å; I394-V436 HydrophobicContact CG1-CG2 4.05Å |
| 395 | A | 80.5 | Confident | 76.3 | Confident | 4 Ų | 4 | 60.7 Ų | 60.7 | 3% | 0.033 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -62.1 | -47.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | L361 R366 F370 D391 I392 L393 C397 R398 D399 | L361-A395 HydrophobicContact CD2-CB 3.97Å; R366-A395 PolarHBondContact NE-O 3.15Å; R366-A395 PolarHBondContact NH1-O 2.97Å; R366-A395 VanDerWaalsContact NH2-CB 3.29Å; F370-A395 HydrophobicContact CZ-CB 4.44Å; D391-A395 VanDerWaalsContact O-CB 3.24Å; D391-A395 WeakPolarHBondContact O-CB 3.49Å; D391-A395 PolarHBondContact O-N 3.33Å; I392-A395 WeakPolarHBondContact O-CA 3.32Å; I392-A395 WeakPolarHBondContact O-CB 3.41Å; I392-A395 PolarHBondContact O-N 3.5Å; I392-A395 VanDerWaalsContact O-N 3.13Å; L393-A395 VanDerWaalsContact C-N 3.28Å; L393-A395 PolarHBondContact O-N 3.36Å; A395-C397 PolarHBondContact O-N 3.36Å; A395-R398 PolarHBondContact O-N 3.26Å; A395-D399 PolarHBondContact O-N 3.21Å |
| 396 | T | 82.5 | Confident | 75.5 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -66.3 | -36.8 | 178.9 | 55.5 | 0 | 0 | 0 | 0 | 112.7 | Y371 I392 L393 D399 K409 F412 | Y371-T396 HydrophobicContact CD1-CG2 4.3Å; Y371-T396 HydrophobicContact CE1-CG2 3.59Å; I392-T396 HydrophobicContact CG2-CG2 4.44Å; I392-T396 WeakPolarHBondContact O-CG2 3.5Å; I392-T396 PolarHBondContact O-N 3.39Å; I392-T396 PolarHBondContact O-OG1 3.07Å; L393-T396 WeakPolarHBondContact CA-OG1 3.42Å; L393-T396 PolarHBondContact O-N 3.04Å; L393-T396 PolarHBondContact O-OG1 2.82Å; T396-D399 PolarHBondContact O-N 3.38Å; T396-K409 WeakPolarHBondContact O-CE 3.43Å; T396-K409 PolarHBondContact O-NZ 2.93Å; T396-F412 HydrophobicContact CG2-CD1 4.17Å; T396-F412 HydrophobicContact CG2-CE1 4.05Å |
| 397 | C | 74.5 | Confident | 75.2 | Confident | 23 Ų | 23 | 66.6 Ų | 66.6 | 16% | 0.155 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -72.4 | -31.3 | 177.8 | -67.4 | 0 | 0 | 0 | 0 | 112.8 | L393 I394 A395 D399 V436 F440 V444 | L393-C397 WeakPolarHBondContact O-CB 3.28Å; L393-C397 PolarHBondContact O-N 3.46Å; L393-C397 PolarHBondContact O-SG 3.44Å; I394-C397 PolarHBondContact O-N 2.93Å; A395-C397 PolarHBondContact O-N 3.36Å; C397-D399 PolarHBondContact O-N 3.3Å; C397-V436 HydrophobicContact CB-CG1 4.21Å; C397-F440 VanDerWaalsContact C-CE2 3.46Å; C397-F440 HydrophobicContact CB-CD2 4.03Å; C397-F440 HydrophobicContact CB-CE2 3.89Å; C397-F440 WeakPolarHBondContact O-CE2 3.44Å; C397-F440 WeakPolarHBondContact O-CZ 3.47Å; C397-V444 HydrophobicContact CB-CG1 4.28Å |
| 398 | R | 70.9 | Confident | 75.1 | Confident | 167 Ų | 167 | 64.2 Ų | 64.2 | 63% | 0.63 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.3 | -10.1 | 176.5 | -75.3 | -177.8 | -177.4 | 173.5 | 3.9 | 113.5 | I394 A395 A400 F440 | I394-R398 HydrophobicContact CG2-CG 4.46Å; I394-R398 WeakPolarHBondContact O-CB 3.24Å; I394-R398 VanDerWaalsContact O-CG 3.31Å; I394-R398 WeakPolarHBondContact O-CG 3.17Å; I394-R398 PolarHBondContact O-N 3.46Å; A395-R398 PolarHBondContact O-N 3.26Å; R398-A400 PolarHBondContact O-N 3.32Å; R398-A400 VanDerWaalsContact O-N 3.17Å; R398-F440 HydrophobicContact CB-CE2 4.2Å; R398-F440 HydrophobicContact CG-CD2 4.27Å; R398-F440 HydrophobicContact CG-CE2 3.49Å; R398-F440 VanDerWaalsContact CG-CE2 3.49Å; R398-F440 HydrophobicContact CG-CZ 4.35Å |
| 399 | D | 71 | Confident | 74.8 | Confident | 15 Ų | 15 | 62 Ų | 62 | 8% | 0.08 | 33% | 0.325 | C | S | . | . | trans | -78 | 102.4 | -177.6 | -162.2 | 15.5 | 0 | 0 | 0 | 110.9 | Y371 A395 T396 C397 S401 K409 | Y371-D399 WeakPolarHBondContact CE2-OD2 3.5Å; Y371-D399 VanDerWaalsContact CZ-OD2 3.3Å; Y371-D399 VanDerWaalsContact OH-CB 3.22Å; Y371-D399 WeakPolarHBondContact OH-CB 3.37Å; Y371-D399 VanDerWaalsContact OH-CG 3.27Å; Y371-D399 PolarHBondContact OH-OD2 2.99Å; A395-D399 PolarHBondContact O-N 3.21Å; T396-D399 PolarHBondContact O-N 3.38Å; C397-D399 PolarHBondContact O-N 3.3Å; D399-S401 VanDerWaalsContact C-N 3.32Å; D399-S401 WeakPolarHBondContact OD1-CB 3.13Å; D399-S401 PolarHBondContact OD1-N 3.01Å; D399-S401 PolarHBondContact OD1-OG 3.29Å; D399-K409 PolarHBondContact O-NZ 3.35Å | ||
| 400 | A | 59 | Low | 74.5 | Confident | 104 Ų | 104 | 62.2 Ų | 62.2 | 86% | 0.86 | 33% | 0.326 | S | S | * | . | trans | -93.3 | 9.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | R398 | R398-A400 PolarHBondContact O-N 3.32Å; R398-A400 VanDerWaalsContact O-N 3.17Å | ||
| 401 | S | 54.6 | Low | 74.3 | Confident | 52 Ų | 52 | 61.3 Ų | 61.3 | 36% | 0.364 | 33% | 0.328 | S | S | . | . | trans | -68.7 | 151.7 | -174.8 | -49.7 | 0 | 0 | 0 | 0 | 112.4 | D399 | D399-S401 VanDerWaalsContact C-N 3.32Å; D399-S401 WeakPolarHBondContact OD1-CB 3.13Å; D399-S401 PolarHBondContact OD1-N 3.01Å; D399-S401 PolarHBondContact OD1-OG 3.29Å | ||
| 402 | D | 53.7 | Low | 74.3 | Confident | 126 Ų | 126 | 58.4 Ų | 58.4 | 67% | 0.674 | 31% | 0.313 | S | S | * | . | trans | -31.1 | 149 | -171.1 | -85.3 | -49.4 | 0 | 0 | 0 | 118.3 | E404 Q405 | D402-E404 PolarHBondContact O-N 3.26Å; D402-Q405 PolarHBondContact O-N 3.3Å | ||
| 403 | E | 59.5 | Low | 74.4 | Confident | 180 Ų | 180 | 58.8 Ų | 58.8 | 84% | 0.841 | 32% | 0.315 | S | S | * | . | G | 310 helix | trans | -50.2 | -24.7 | 173.5 | -69.5 | -175.6 | 166.8 | 0 | 0 | 113.6 | Q405 L406 | E403-Q405 VanDerWaalsContact C-N 3.31Å; E403-Q405 PolarHBondContact O-N 2.9Å; E403-L406 VanDerWaalsContact O-CB 3.32Å; E403-L406 WeakPolarHBondContact O-CB 3.17Å; E403-L406 PolarHBondContact O-N 3.11Å |
| 404 | E | 59.8 | Low | 74.5 | Confident | 175 Ų | 175 | 60.9 Ų | 60.9 | 82% | 0.818 | 33% | 0.327 | S | S | * | . | G | 310 helix | trans | -64.6 | -28.2 | 178.3 | -66.8 | -170.1 | 167.1 | 0 | 0 | 113.8 | D402 P407 | D402-E404 PolarHBondContact O-N 3.26Å; E404-P407 WeakPolarHBondContact O-CD 3.39Å |
| 405 | Q | 59.2 | Low | 74.8 | Confident | 40 Ų | 40 | 60.8 Ų | 60.8 | 19% | 0.187 | 33% | 0.33 | C | S | . | . | G | 310 helix | trans | -93.4 | -3.9 | -177.5 | -56.4 | -177.2 | 16.5 | 0 | 0 | 113.7 | R366 D402 E403 E408 K409 | R366-Q405 PolarHBondContact O-NE2 3.46Å; R366-Q405 PolarHBondContact O-OE1 3.02Å; D402-Q405 PolarHBondContact O-N 3.3Å; E403-Q405 VanDerWaalsContact C-N 3.31Å; E403-Q405 PolarHBondContact O-N 2.9Å; Q405-E408 PolarHBondContact O-N 2.9Å; Q405-K409 PolarHBondContact O-N 3.21Å |
| 406 | L | 68.6 | Low | 75.4 | Confident | 70 Ų | 70 | 60.6 Ų | 60.6 | 37% | 0.366 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -55.2 | -41.9 | -178.1 | -161.9 | 75.1 | 0 | 0 | 0 | 113.4 | E403 E408 K409 V410 Y447 | E403-L406 VanDerWaalsContact O-CB 3.32Å; E403-L406 WeakPolarHBondContact O-CB 3.17Å; E403-L406 PolarHBondContact O-N 3.11Å; L406-E408 PolarHBondContact O-N 3.29Å; L406-K409 PolarHBondContact O-N 3.46Å; L406-V410 HydrophobicContact CG-CG2 4.42Å; L406-V410 VanDerWaalsContact O-CG2 3.32Å; L406-V410 WeakPolarHBondContact O-CG2 3.38Å; L406-V410 PolarHBondContact O-N 2.81Å; L406-Y447 HydrophobicContact CD1-CE1 3.69Å; L406-Y447 HydrophobicContact CD1-CE2 4.38Å; L406-Y447 VanDerWaalsContact CD1-CZ 3.48Å; L406-Y447 WeakPolarHBondContact CD1-OH 3.33Å; L406-Y447 HydrophobicContact CD2-CE1 4.35Å; L406-Y447 HydrophobicContact CG-CE1 4.34Å |
| 407 | P | 79.3 | Confident | 75.8 | Confident | 81 Ų | 81 | 60.8 Ų | 60.8 | 53% | 0.526 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -62.3 | -44.5 | -176.9 | -23 | 35.3 | 0 | 0 | 0 | 113.3 | E404 S411 | E404-P407 WeakPolarHBondContact O-CD 3.39Å; P407-S411 VanDerWaalsContact O-CB 3.27Å; P407-S411 WeakPolarHBondContact O-CB 3.43Å; P407-S411 PolarHBondContact O-N 2.64Å |
| 408 | E | 81.9 | Confident | 76.4 | Confident | 60 Ų | 60 | 61.4 Ų | 61.4 | 28% | 0.28 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -70.1 | -37.6 | -179.1 | -65.7 | 75.6 | -167.9 | 0 | 0 | 111.4 | A368 I372 Q405 L406 S411 F412 | A368-E408 HydrophobicContact CB-CG 4.11Å; I372-E408 HydrophobicContact CD1-CG 4.2Å; I372-E408 HydrophobicContact CG1-CG 4.09Å; Q405-E408 PolarHBondContact O-N 2.9Å; L406-E408 PolarHBondContact O-N 3.29Å; E408-S411 PolarHBondContact O-N 2.91Å; E408-F412 WeakPolarHBondContact O-CB 3.35Å; E408-F412 PolarHBondContact O-N 3.22Å |
| 409 | K | 84.3 | Confident | 77.4 | Confident | 26 Ų | 26 | 55.9 Ų | 55.9 | 11% | 0.113 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -59.9 | -50.7 | 173.8 | 177.7 | -178.3 | 179.8 | -177.8 | 0 | 111.7 | Y371 T396 D399 Q405 L406 F412 L413 | Y371-K409 HydrophobicContact CD1-CB 4.06Å; Y371-K409 HydrophobicContact CD1-CG 4.32Å; Y371-K409 HydrophobicContact CD2-CB 4.23Å; Y371-K409 HydrophobicContact CE1-CB 3.76Å; Y371-K409 HydrophobicContact CE1-CD 4.41Å; Y371-K409 HydrophobicContact CE1-CG 3.64Å; Y371-K409 HydrophobicContact CE2-CB 3.98Å; Y371-K409 HydrophobicContact CE2-CG 4.48Å; Y371-K409 HydrophobicContact CG-CB 4.26Å; T396-K409 WeakPolarHBondContact O-CE 3.43Å; T396-K409 PolarHBondContact O-NZ 2.93Å; D399-K409 PolarHBondContact O-NZ 3.35Å; Q405-K409 PolarHBondContact O-N 3.21Å; L406-K409 PolarHBondContact O-N 3.46Å; K409-F412 PolarHBondContact O-N 3.26Å; K409-L413 HydrophobicContact CG-CD1 4.34Å; K409-L413 WeakPolarHBondContact O-CG 3.49Å; K409-L413 PolarHBondContact O-N 2.98Å; K409-L413 VanDerWaalsContact O-N 3.1Å |
| 410 | V | 84 | Confident | 78.3 | Confident | 15 Ų | 15 | 55.4 Ų | 55.4 | 9% | 0.091 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -64.9 | -42.8 | 179 | 175.8 | 0 | 0 | 0 | 0 | 110.6 | L406 F412 L413 V414 Y447 E449 | L406-V410 HydrophobicContact CG-CG2 4.42Å; L406-V410 VanDerWaalsContact O-CG2 3.32Å; L406-V410 WeakPolarHBondContact O-CG2 3.38Å; L406-V410 PolarHBondContact O-N 2.81Å; V410-F412 PolarHBondContact O-N 2.91Å; V410-L413 PolarHBondContact O-N 3.48Å; V410-V414 HydrophobicContact CG1-CG2 4.27Å; V410-V414 WeakPolarHBondContact O-CB 3.47Å; V410-V414 VanDerWaalsContact O-CG2 3.31Å; V410-V414 WeakPolarHBondContact O-CG2 3.4Å; V410-V414 PolarHBondContact O-N 3.39Å; V410-Y447 HydrophobicContact CG2-CD1 4.26Å; V410-Y447 HydrophobicContact CG2-CD2 3.54Å; V410-Y447 HydrophobicContact CG2-CE2 3.92Å; V410-Y447 HydrophobicContact CG2-CG 3.75Å; V410-E449 HydrophobicContact CG1-CB 3.69Å; V410-E449 HydrophobicContact CG1-CG 4.01Å |
| 411 | S | 86.6 | Confident | 79.5 | Confident | 51 Ų | 51 | 51.2 Ų | 51.2 | 36% | 0.357 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -55.4 | -49.4 | 175.4 | -175.5 | 0 | 0 | 0 | 0 | 111.7 | E375 P407 E408 L413 V414 S415 | E375-S411 PolarHBondContact OE2-OG 3.42Å; P407-S411 VanDerWaalsContact O-CB 3.27Å; P407-S411 WeakPolarHBondContact O-CB 3.43Å; P407-S411 PolarHBondContact O-N 2.64Å; E408-S411 PolarHBondContact O-N 2.91Å; S411-L413 PolarHBondContact O-N 3.21Å; S411-V414 PolarHBondContact O-N 2.89Å; S411-S415 WeakPolarHBondContact O-CB 3.38Å; S411-S415 PolarHBondContact O-N 2.94Å; S411-S415 PolarHBondContact O-OG 3.13Å |
| 412 | F | 89.6 | Confident | 80.8 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -60.3 | -46.6 | 178.3 | 169.1 | -110.6 | 0 | 0 | 0 | 112.4 | Y371 M374 E375 V385 I392 T396 E408 K409 V410 V414 S415 L416 | Y371-F412 HydrophobicContact CD1-CB 4.33Å; Y371-F412 HydrophobicContact CD1-CD1 4.17Å; M374-F412 HydrophobicContact CB-CD2 3.85Å; M374-F412 HydrophobicContact CB-CE1 4.33Å; M374-F412 HydrophobicContact CB-CE2 3.47Å; M374-F412 VanDerWaalsContact CB-CE2 3.47Å; M374-F412 HydrophobicContact CB-CG 4.43Å; M374-F412 HydrophobicContact CB-CZ 3.74Å; E375-F412 HydrophobicContact CB-CD2 3.98Å; V385-F412 HydrophobicContact CG1-CZ 4.46Å; I392-F412 HydrophobicContact CG2-CE1 3.62Å; I392-F412 HydrophobicContact CG2-CZ 3.65Å; T396-F412 HydrophobicContact CG2-CD1 4.17Å; T396-F412 HydrophobicContact CG2-CE1 4.05Å; E408-F412 WeakPolarHBondContact O-CB 3.35Å; E408-F412 PolarHBondContact O-N 3.22Å; K409-F412 PolarHBondContact O-N 3.26Å; V410-F412 PolarHBondContact O-N 2.91Å; F412-V414 PolarHBondContact O-N 2.74Å; F412-S415 PolarHBondContact O-N 2.9Å; F412-L416 HydrophobicContact CE1-CD2 4.5Å; F412-L416 HydrophobicContact CZ-CD2 4.34Å; F412-L416 WeakPolarHBondContact O-CB 3.32Å; F412-L416 PolarHBondContact O-N 3.2Å |
| 413 | L | 90.1 | Very high | 82.1 | Confident | 8 Ų | 8 | 53.2 Ų | 53.2 | 4% | 0.042 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63 | -41.8 | 179.4 | -70.3 | 171 | 0 | 0 | 0 | 111.8 | L393 K409 V410 S411 L416 I417 E450 | L393-L413 HydrophobicContact CD2-CD2 3.78Å; K409-L413 HydrophobicContact CG-CD1 4.34Å; K409-L413 WeakPolarHBondContact O-CG 3.49Å; K409-L413 PolarHBondContact O-N 2.98Å; K409-L413 VanDerWaalsContact O-N 3.1Å; V410-L413 PolarHBondContact O-N 3.48Å; S411-L413 PolarHBondContact O-N 3.21Å; L413-L416 WeakPolarHBondContact O-CB 3.02Å; L413-L416 PolarHBondContact O-N 3.4Å; L413-I417 WeakPolarHBondContact O-CD1 3.43Å; L413-I417 VanDerWaalsContact O-CG1 3.25Å; L413-I417 WeakPolarHBondContact O-CG1 3.45Å; L413-I417 PolarHBondContact O-N 3.22Å; L413-E450 HydrophobicContact CB-CG 4.27Å |
| 414 | V | 90.7 | Very high | 82.9 | Confident | 46 Ų | 46 | 47.4 Ų | 47.4 | 28% | 0.279 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -62.9 | -44.4 | 175.1 | 169.5 | 0 | 0 | 0 | 0 | 111.2 | V410 S411 F412 L416 I417 S418 E449 A453 | V410-V414 HydrophobicContact CG1-CG2 4.27Å; V410-V414 WeakPolarHBondContact O-CB 3.47Å; V410-V414 VanDerWaalsContact O-CG2 3.31Å; V410-V414 WeakPolarHBondContact O-CG2 3.4Å; V410-V414 PolarHBondContact O-N 3.39Å; S411-V414 PolarHBondContact O-N 2.89Å; F412-V414 PolarHBondContact O-N 2.74Å; V414-L416 VanDerWaalsContact C-N 3.33Å; V414-L416 PolarHBondContact O-N 3.1Å; V414-I417 PolarHBondContact O-N 2.95Å; V414-S418 WeakPolarHBondContact O-CB 3.4Å; V414-S418 PolarHBondContact O-N 3.22Å; V414-E449 HydrophobicContact CG2-CB 3.95Å; V414-A453 HydrophobicContact CB-CB 4.38Å; V414-A453 HydrophobicContact CG1-CB 4.04Å; V414-A453 HydrophobicContact CG2-CB 4.2Å |
| 415 | S | 90.6 | Very high | 84.2 | Confident | 33 Ų | 33 | 43.1 Ų | 43.1 | 23% | 0.231 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -61.6 | -40.5 | 175.4 | -80.5 | 0 | 0 | 0 | 0 | 111.8 | E375 L378 S411 F412 S418 Y419 | E375-S415 WeakPolarHBondContact OE1-CB 3.42Å; E375-S415 PolarHBondContact OE1-OG 2.93Å; L378-S415 VanDerWaalsContact CD2-C 3.5Å; L378-S415 WeakPolarHBondContact CD2-O 3.47Å; S411-S415 WeakPolarHBondContact O-CB 3.38Å; S411-S415 PolarHBondContact O-N 2.94Å; S411-S415 PolarHBondContact O-OG 3.13Å; F412-S415 PolarHBondContact O-N 2.9Å; S415-S418 PolarHBondContact O-N 2.98Å; S415-Y419 WeakPolarHBondContact O-CB 3.24Å; S415-Y419 PolarHBondContact O-N 3.37Å |
| 416 | L | 92.4 | Very high | 85.7 | Confident | 1 Ų | 1 | 41.3 Ų | 41.3 | 1% | 0.005 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -61.5 | -49.5 | 174.7 | -173.3 | 67.7 | 0 | 0 | 0 | 111.7 | L378 V385 V389 L393 F412 L413 V414 S418 Y419 Y420 L429 | L378-L416 HydrophobicContact CD1-CD1 4.01Å; L378-L416 HydrophobicContact CD2-CB 4.29Å; L378-L416 HydrophobicContact CD2-CD1 4.27Å; V385-L416 HydrophobicContact CG1-CD1 3.81Å; V389-L416 HydrophobicContact CG2-CD1 4.39Å; V389-L416 HydrophobicContact CG2-CD2 4.16Å; L393-L416 HydrophobicContact CD2-CD2 3.99Å; L393-L416 HydrophobicContact CG-CD2 4.43Å; F412-L416 HydrophobicContact CE1-CD2 4.5Å; F412-L416 HydrophobicContact CZ-CD2 4.34Å; F412-L416 WeakPolarHBondContact O-CB 3.32Å; F412-L416 PolarHBondContact O-N 3.2Å; L413-L416 WeakPolarHBondContact O-CB 3.02Å; L413-L416 PolarHBondContact O-N 3.4Å; V414-L416 VanDerWaalsContact C-N 3.33Å; V414-L416 PolarHBondContact O-N 3.1Å; L416-S418 VanDerWaalsContact C-N 3.35Å; L416-S418 PolarHBondContact O-N 3.18Å; L416-Y419 PolarHBondContact O-N 2.96Å; L416-Y420 HydrophobicContact CD1-CD2 4.1Å; L416-Y420 HydrophobicContact CD1-CE2 3.78Å; L416-Y420 HydrophobicContact CG-CD2 4.35Å; L416-Y420 HydrophobicContact CG-CE2 4.37Å; L416-Y420 WeakPolarHBondContact O-CD2 3.17Å; L416-Y420 PolarHBondContact O-N 2.82Å; L416-Y420 VanDerWaalsContact O-N 3.14Å; L416-L429 HydrophobicContact CD2-CD1 4Å; L416-L429 HydrophobicContact CG-CD1 4.12Å; L416-L429 HydrophobicContact CG-CD2 4.47Å |
| 417 | I | 91.7 | Very high | 86.8 | Confident | 3 Ų | 3 | 39.5 Ų | 39.5 | 2% | 0.015 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -60.8 | -45.5 | 177.7 | -64.4 | 159.9 | 0 | 0 | 0 | 110.7 | L413 V414 Y419 Y420 G421 L426 L429 E450 A453 F454 | L413-I417 WeakPolarHBondContact O-CD1 3.43Å; L413-I417 VanDerWaalsContact O-CG1 3.25Å; L413-I417 WeakPolarHBondContact O-CG1 3.45Å; L413-I417 PolarHBondContact O-N 3.22Å; V414-I417 PolarHBondContact O-N 2.95Å; I417-Y419 VanDerWaalsContact C-N 3.32Å; I417-Y419 PolarHBondContact O-N 3.02Å; I417-Y420 PolarHBondContact O-N 3.19Å; I417-G421 PolarHBondContact O-N 3.07Å; I417-L426 HydrophobicContact CG2-CD1 4.14Å; I417-L429 HydrophobicContact CB-CD2 4.2Å; I417-L429 HydrophobicContact CG1-CD2 3.84Å; I417-E450 HydrophobicContact CD1-CB 4.04Å; I417-E450 HydrophobicContact CD1-CG 4.3Å; I417-A453 HydrophobicContact CB-CB 4.02Å; I417-A453 HydrophobicContact CD1-CB 4.05Å; I417-A453 HydrophobicContact CG2-CB 3.83Å; I417-F454 HydrophobicContact CD1-CD2 3.72Å; I417-F454 HydrophobicContact CD1-CE2 3.5Å; I417-F454 HydrophobicContact CD1-CZ 4.17Å; I417-F454 HydrophobicContact CG1-CD2 4.25Å; I417-F454 HydrophobicContact CG1-CE1 4.49Å; I417-F454 HydrophobicContact CG1-CE2 3.83Å; I417-F454 HydrophobicContact CG1-CZ 3.96Å; I417-F454 HydrophobicContact CG2-CD1 3.97Å; I417-F454 HydrophobicContact CG2-CD2 4.22Å; I417-F454 HydrophobicContact CG2-CE1 4.22Å; I417-F454 HydrophobicContact CG2-CE2 4.46Å; I417-F454 HydrophobicContact CG2-CG 3.97Å; I417-F454 HydrophobicContact CG2-CZ 4.46Å |
| 418 | S | 87.8 | Confident | 87.3 | Confident | 36 Ų | 36 | 38.3 Ų | 38.3 | 25% | 0.252 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -61.8 | -38.7 | 177.9 | -170.8 | 0 | 0 | 0 | 0 | 112.5 | V414 S415 L416 G421 K422 | V414-S418 WeakPolarHBondContact O-CB 3.4Å; V414-S418 PolarHBondContact O-N 3.22Å; S415-S418 PolarHBondContact O-N 2.98Å; L416-S418 VanDerWaalsContact C-N 3.35Å; L416-S418 PolarHBondContact O-N 3.18Å; S418-G421 PolarHBondContact O-N 3.25Å; S418-K422 WeakPolarHBondContact O-CB 3.1Å; S418-K422 VanDerWaalsContact O-CG 3.3Å; S418-K422 WeakPolarHBondContact O-CG 3.25Å; S418-K422 PolarHBondContact O-N 3.47Å; S418-K422 WeakPolarHBondContact OG-CE 3.42Å; S418-K422 PolarHBondContact OG-NZ 3.43Å |
| 419 | Y | 90.6 | Very high | 87.8 | Confident | 51 Ų | 51 | 35.5 Ų | 35.5 | 20% | 0.2 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -61.2 | -51.5 | 175.9 | 169.5 | -98.8 | 0 | 0 | 0 | 111.3 | L378 P382 S415 L416 I417 G421 K422 T423 | L378-Y419 HydrophobicContact CD1-CD1 3.64Å; L378-Y419 HydrophobicContact CD1-CD2 4.23Å; L378-Y419 HydrophobicContact CD1-CE1 4.22Å; L378-Y419 HydrophobicContact CD1-CG 3.65Å; L378-Y419 HydrophobicContact CG-CG 4.18Å; P382-Y419 HydrophobicContact CB-CD2 4.19Å; P382-Y419 HydrophobicContact CB-CE1 4Å; P382-Y419 HydrophobicContact CB-CE2 3.33Å; P382-Y419 WeakPolarHBondContact CB-OH 3.15Å; P382-Y419 HydrophobicContact CG-CD2 4.38Å; P382-Y419 HydrophobicContact CG-CE2 3.57Å; S415-Y419 WeakPolarHBondContact O-CB 3.24Å; S415-Y419 PolarHBondContact O-N 3.37Å; L416-Y419 PolarHBondContact O-N 2.96Å; I417-Y419 VanDerWaalsContact C-N 3.32Å; I417-Y419 PolarHBondContact O-N 3.02Å; Y419-G421 VanDerWaalsContact C-N 3.29Å; Y419-G421 PolarHBondContact O-N 3.42Å; Y419-K422 PolarHBondContact O-N 3.28Å; Y419-K422 VanDerWaalsContact O-N 3.14Å; Y419-T423 HydrophobicContact CD2-CG2 4.17Å; Y419-T423 HydrophobicContact CE1-CG2 4.17Å; Y419-T423 HydrophobicContact CE2-CG2 3.61Å; Y419-T423 PolarHBondContact O-N 3.25Å; Y419-T423 PolarHBondContact O-OG1 2.86Å |
| 420 | Y | 89.9 | Confident | 88.2 | Confident | 5 Ų | 5 | 34.3 Ų | 34.3 | 2% | 0.02 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -66.7 | -29.7 | 179.1 | -83.2 | -91.1 | 0 | 0 | 0 | 113.1 | S386 V389 L416 I417 T423 S424 Q425 L426 V428 L429 | S386-Y420 WeakPolarHBondContact CA-OH 3.47Å; V389-Y420 HydrophobicContact CG2-CE2 4.18Å; L416-Y420 HydrophobicContact CD1-CD2 4.1Å; L416-Y420 HydrophobicContact CD1-CE2 3.78Å; L416-Y420 HydrophobicContact CG-CD2 4.35Å; L416-Y420 HydrophobicContact CG-CE2 4.37Å; L416-Y420 WeakPolarHBondContact O-CD2 3.17Å; L416-Y420 PolarHBondContact O-N 2.82Å; L416-Y420 VanDerWaalsContact O-N 3.14Å; I417-Y420 PolarHBondContact O-N 3.19Å; Y420-T423 WeakPolarHBondContact CA-OG1 3.33Å; Y420-T423 PolarHBondContact O-OG1 3Å; Y420-S424 PolarHBondContact O-N 2.95Å; Y420-Q425 HydrophobicContact CD1-CB 3.79Å; Y420-Q425 WeakPolarHBondContact CD1-O 3.32Å; Y420-Q425 HydrophobicContact CE1-CB 4.37Å; Y420-Q425 CarbonylContact O-C 3.6Å; Y420-Q425 PolarHBondContact O-N 3.48Å; Y420-L426 PolarHBondContact O-N 3.14Å; Y420-L426 VanDerWaalsContact O-N 3.09Å; Y420-V428 HydrophobicContact CE1-CB 4.48Å; Y420-L429 HydrophobicContact CD1-CB 3.81Å; Y420-L429 HydrophobicContact CD2-CB 4Å; Y420-L429 HydrophobicContact CD2-CD1 4.01Å; Y420-L429 HydrophobicContact CD2-CD2 3.88Å; Y420-L429 HydrophobicContact CD2-CG 4.19Å; Y420-L429 HydrophobicContact CE1-CB 4.32Å; Y420-L429 HydrophobicContact CE2-CD1 4.07Å; Y420-L429 HydrophobicContact CG-CB 3.62Å; Y420-L429 HydrophobicContact CG-CD2 4.03Å; Y420-L429 HydrophobicContact CG-CG 4.26Å |
| 421 | G | 84.3 | Confident | 88.6 | Confident | 17 Ų | 17 | 36.9 Ų | 36.9 | 18% | 0.175 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -59.9 | -52.5 | 167.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | I417 S418 Y419 T423 S424 | I417-G421 PolarHBondContact O-N 3.07Å; S418-G421 PolarHBondContact O-N 3.25Å; Y419-G421 VanDerWaalsContact C-N 3.29Å; Y419-G421 PolarHBondContact O-N 3.42Å; G421-T423 VanDerWaalsContact C-N 3.33Å; G421-T423 PolarHBondContact O-N 3.36Å; G421-S424 PolarHBondContact O-N 3.1Å; G421-S424 VanDerWaalsContact O-N 3.16Å |
| 422 | K | 81.5 | Confident | 88.8 | Confident | 168 Ų | 168 | 35.3 Ų | 35.3 | 73% | 0.73 | 19% | 0.191 | S | C | * | . | H | α-helix | trans | -65 | -32.2 | -178.9 | -73 | 169.4 | -175.4 | 163.5 | 0 | 113.6 | S418 Y419 S424 | S418-K422 WeakPolarHBondContact O-CB 3.1Å; S418-K422 VanDerWaalsContact O-CG 3.3Å; S418-K422 WeakPolarHBondContact O-CG 3.25Å; S418-K422 PolarHBondContact O-N 3.47Å; S418-K422 WeakPolarHBondContact OG-CE 3.42Å; S418-K422 PolarHBondContact OG-NZ 3.43Å; Y419-K422 PolarHBondContact O-N 3.28Å; Y419-K422 VanDerWaalsContact O-N 3.14Å; K422-S424 VanDerWaalsContact C-N 3.26Å; K422-S424 PolarHBondContact O-N 3Å |
| 423 | T | 80.8 | Confident | 88.8 | Confident | 51 Ų | 51 | 35.8 Ų | 35.8 | 31% | 0.313 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | 1.1 | 177.8 | 58.2 | 0 | 0 | 0 | 0 | 113.8 | Y419 Y420 G421 Q425 | Y419-T423 HydrophobicContact CD2-CG2 4.17Å; Y419-T423 HydrophobicContact CE1-CG2 4.17Å; Y419-T423 HydrophobicContact CE2-CG2 3.61Å; Y419-T423 PolarHBondContact O-N 3.25Å; Y419-T423 PolarHBondContact O-OG1 2.86Å; Y420-T423 WeakPolarHBondContact CA-OG1 3.33Å; Y420-T423 PolarHBondContact O-OG1 3Å; G421-T423 VanDerWaalsContact C-N 3.33Å; G421-T423 PolarHBondContact O-N 3.36Å; T423-Q425 PolarHBondContact O-N 3.18Å |
| 424 | S | 78.1 | Confident | 88.9 | Confident | 58 Ų | 58 | 35.4 Ų | 35.4 | 41% | 0.406 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.9 | 43.7 | -172.5 | -52.3 | 0 | 0 | 0 | 0 | 111.8 | Y420 G421 K422 Q465 | Y420-S424 PolarHBondContact O-N 2.95Å; G421-S424 PolarHBondContact O-N 3.1Å; G421-S424 VanDerWaalsContact O-N 3.16Å; K422-S424 VanDerWaalsContact C-N 3.26Å; K422-S424 PolarHBondContact O-N 3Å; S424-Q465 PolarHBondContact O-NE2 2.87Å |
| 425 | Q | 87.2 | Confident | 88.8 | Confident | 86 Ų | 86 | 36.2 Ų | 36.2 | 40% | 0.402 | 19% | 0.192 | S | C | . | . | trans | -128 | 20 | 175.4 | -67.6 | -176.9 | -23.6 | 0 | 0 | 111.6 | Y420 T423 E427 V428 L429 | Y420-Q425 HydrophobicContact CD1-CB 3.79Å; Y420-Q425 WeakPolarHBondContact CD1-O 3.32Å; Y420-Q425 HydrophobicContact CE1-CB 4.37Å; Y420-Q425 CarbonylContact O-C 3.6Å; Y420-Q425 PolarHBondContact O-N 3.48Å; T423-Q425 PolarHBondContact O-N 3.18Å; Q425-E427 VanDerWaalsContact C-OE2 3.26Å; Q425-E427 WeakPolarHBondContact CA-OE2 3.28Å; Q425-E427 PolarHBondContact O-N 3.34Å; Q425-E427 VanDerWaalsContact O-N 3.11Å; Q425-V428 HydrophobicContact CB-CG2 4.4Å; Q425-V428 WeakPolarHBondContact O-CB 3.49Å; Q425-V428 PolarHBondContact O-N 3.04Å; Q425-L429 PolarHBondContact O-N 3.45Å | ||
| 426 | L | 90.1 | Very high | 88.6 | Confident | 1 Ų | 1 | 34.8 Ų | 34.8 | 1% | 0.005 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -57.3 | -28.8 | -176.6 | -173.2 | 66.3 | 0 | 0 | 0 | 112.4 | I417 Y420 V428 L429 F430 F454 A458 L461 | I417-L426 HydrophobicContact CG2-CD1 4.14Å; Y420-L426 PolarHBondContact O-N 3.14Å; Y420-L426 VanDerWaalsContact O-N 3.09Å; L426-V428 VanDerWaalsContact C-N 3.32Å; L426-V428 PolarHBondContact O-N 3.38Å; L426-L429 HydrophobicContact CD1-CD2 4.49Å; L426-L429 PolarHBondContact O-N 3.46Å; L426-F430 WeakPolarHBondContact O-CB 3.29Å; L426-F430 PolarHBondContact O-N 3.03Å; L426-F454 HydrophobicContact CD1-CD1 3.87Å; L426-F454 HydrophobicContact CD1-CE1 3.83Å; L426-F454 HydrophobicContact CG-CD1 4.39Å; L426-F454 HydrophobicContact CG-CE1 4.49Å; L426-A458 HydrophobicContact CD2-CB 4.33Å; L426-L461 HydrophobicContact CB-CD2 4.06Å; L426-L461 HydrophobicContact CD2-CD1 4.17Å; L426-L461 HydrophobicContact CD2-CD2 4.26Å; L426-L461 HydrophobicContact CD2-CG 4.36Å |
| 427 | E | 90.5 | Very high | 88.2 | Confident | 32 Ų | 32 | 34.9 Ų | 34.9 | 15% | 0.15 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -63.2 | -35.2 | 174.5 | 74.2 | -71.4 | 174.2 | 0 | 0 | 113.2 | Q425 Q431 Q465 T468 I469 | Q425-E427 VanDerWaalsContact C-OE2 3.26Å; Q425-E427 WeakPolarHBondContact CA-OE2 3.28Å; Q425-E427 PolarHBondContact O-N 3.34Å; Q425-E427 VanDerWaalsContact O-N 3.11Å; E427-Q431 WeakPolarHBondContact O-CB 3.19Å; E427-Q431 VanDerWaalsContact O-CG 3.32Å; E427-Q431 WeakPolarHBondContact O-CG 3.44Å; E427-Q431 PolarHBondContact O-N 2.73Å; E427-Q465 HydrophobicContact CB-CB 4.34Å; E427-Q465 HydrophobicContact CG-CB 4.42Å; E427-Q465 PolarHBondContact OE2-NE2 3.1Å; E427-T468 HydrophobicContact CB-CG2 3.98Å; E427-T468 HydrophobicContact CG-CG2 3.98Å; E427-I469 HydrophobicContact CB-CD1 4.32Å; E427-I469 HydrophobicContact CB-CG1 3.86Å |
| 428 | V | 90.1 | Very high | 87.7 | Confident | 56 Ų | 56 | 35.8 Ų | 35.8 | 34% | 0.339 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -70 | -42.5 | 178 | -179 | 0 | 0 | 0 | 0 | 110.3 | Y420 Q425 L426 Q431 T432 | Y420-V428 HydrophobicContact CE1-CB 4.48Å; Q425-V428 HydrophobicContact CB-CG2 4.4Å; Q425-V428 WeakPolarHBondContact O-CB 3.49Å; Q425-V428 PolarHBondContact O-N 3.04Å; L426-V428 VanDerWaalsContact C-N 3.32Å; L426-V428 PolarHBondContact O-N 3.38Å; V428-Q431 PolarHBondContact O-N 2.86Å; V428-T432 PolarHBondContact O-N 2.97Å; V428-T432 PolarHBondContact O-OG1 3.31Å |
| 429 | L | 92.4 | Very high | 87.3 | Confident | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.005 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -65.2 | -46.2 | 175.4 | -177.7 | 66.8 | 0 | 0 | 0 | 110.7 | V389 L393 L416 I417 Y420 Q425 L426 Q431 T432 Y433 | V389-L429 HydrophobicContact CG2-CD1 3.82Å; L393-L429 HydrophobicContact CD1-CD1 4.12Å; L416-L429 HydrophobicContact CD2-CD1 4Å; L416-L429 HydrophobicContact CG-CD1 4.12Å; L416-L429 HydrophobicContact CG-CD2 4.47Å; I417-L429 HydrophobicContact CB-CD2 4.2Å; I417-L429 HydrophobicContact CG1-CD2 3.84Å; Y420-L429 HydrophobicContact CD1-CB 3.81Å; Y420-L429 HydrophobicContact CD2-CB 4Å; Y420-L429 HydrophobicContact CD2-CD1 4.01Å; Y420-L429 HydrophobicContact CD2-CD2 3.88Å; Y420-L429 HydrophobicContact CD2-CG 4.19Å; Y420-L429 HydrophobicContact CE1-CB 4.32Å; Y420-L429 HydrophobicContact CE2-CD1 4.07Å; Y420-L429 HydrophobicContact CG-CB 3.62Å; Y420-L429 HydrophobicContact CG-CD2 4.03Å; Y420-L429 HydrophobicContact CG-CG 4.26Å; Q425-L429 PolarHBondContact O-N 3.45Å; L426-L429 HydrophobicContact CD1-CD2 4.49Å; L426-L429 PolarHBondContact O-N 3.46Å; L429-Q431 VanDerWaalsContact C-N 3.32Å; L429-Q431 PolarHBondContact O-N 3.14Å; L429-T432 PolarHBondContact O-N 3.4Å; L429-T432 VanDerWaalsContact O-N 3.16Å; L429-Y433 VanDerWaalsContact O-CB 3.29Å; L429-Y433 WeakPolarHBondContact O-CB 3.41Å; L429-Y433 PolarHBondContact O-N 3.17Å |
| 430 | F | 93.2 | Very high | 86.4 | Confident | 2 Ų | 2 | 38.2 Ų | 38.2 | 1% | 0.009 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -57.5 | -44.6 | 177.7 | -176.4 | -87.7 | 0 | 0 | 0 | 111.7 | L426 T432 Y433 A434 F454 I469 T472 T473 L498 I502 | L426-F430 WeakPolarHBondContact O-CB 3.29Å; L426-F430 PolarHBondContact O-N 3.03Å; F430-T432 PolarHBondContact O-N 3.23Å; F430-Y433 PolarHBondContact O-N 3.16Å; F430-A434 VanDerWaalsContact O-CB 3.31Å; F430-A434 WeakPolarHBondContact O-CB 3.35Å; F430-A434 PolarHBondContact O-N 3.11Å; F430-F454 HydrophobicContact CD2-CE1 4.33Å; F430-I469 HydrophobicContact CB-CG1 4.31Å; F430-I469 HydrophobicContact CD1-CB 4.37Å; F430-I469 HydrophobicContact CD1-CG1 4.26Å; F430-I469 HydrophobicContact CD1-CG2 3.94Å; F430-I469 HydrophobicContact CD2-CG2 4.34Å; F430-I469 HydrophobicContact CE1-CG2 3.85Å; F430-I469 HydrophobicContact CE2-CG2 4.23Å; F430-I469 HydrophobicContact CG-CG1 4.27Å; F430-I469 HydrophobicContact CG-CG2 4.2Å; F430-I469 HydrophobicContact CZ-CG2 3.99Å; F430-T472 HydrophobicContact CD1-CG2 4.05Å; F430-T472 HydrophobicContact CE1-CG2 4.07Å; F430-T473 VanDerWaalsContact CE1-OG1 3.27Å; F430-T473 WeakPolarHBondContact CE1-OG1 3.18Å; F430-T473 VanDerWaalsContact CZ-OG1 3.25Å; F430-T473 WeakPolarHBondContact CZ-OG1 3.33Å; F430-L498 HydrophobicContact CE2-CB 3.96Å; F430-I502 HydrophobicContact CD2-CD1 3.39Å; F430-I502 HydrophobicContact CE2-CD1 3.59Å; F430-I502 HydrophobicContact CG-CD1 4.4Å |
| 431 | Q | 92.4 | Very high | 85.2 | Confident | 69 Ų | 69 | 44.5 Ų | 44.5 | 32% | 0.322 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -56.4 | -49.3 | 173.6 | -82.6 | 178.9 | -18.8 | 0 | 0 | 113 | E427 V428 L429 A434 E435 T472 | E427-Q431 WeakPolarHBondContact O-CB 3.19Å; E427-Q431 VanDerWaalsContact O-CG 3.32Å; E427-Q431 WeakPolarHBondContact O-CG 3.44Å; E427-Q431 PolarHBondContact O-N 2.73Å; V428-Q431 PolarHBondContact O-N 2.86Å; L429-Q431 VanDerWaalsContact C-N 3.32Å; L429-Q431 PolarHBondContact O-N 3.14Å; Q431-A434 PolarHBondContact O-N 2.95Å; Q431-E435 WeakPolarHBondContact O-CG 3.49Å; Q431-E435 PolarHBondContact O-N 3.19Å; Q431-T472 HydrophobicContact CB-CG2 4.28Å; Q431-T472 HydrophobicContact CG-CG2 3.61Å; Q431-T472 WeakPolarHBondContact CG-OG1 3.31Å; Q431-T472 PolarHBondContact NE2-OG1 3.22Å; Q431-T472 VanDerWaalsContact NE2-OG1 3.09Å |
| 432 | T | 91.1 | Very high | 84.1 | Confident | 18 Ų | 18 | 45.3 Ų | 45.3 | 11% | 0.11 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -64.7 | -44.7 | -179.6 | -51.8 | 0 | 0 | 0 | 0 | 111 | V389 K390 L393 V428 L429 F430 A434 E435 V436 | V389-T432 HydrophobicContact CG1-CG2 4.2Å; K390-T432 VanDerWaalsContact CA-CG2 3.48Å; K390-T432 HydrophobicContact CB-CG2 3.6Å; K390-T432 HydrophobicContact CG-CG2 4.02Å; L393-T432 HydrophobicContact CD1-CG2 3.91Å; V428-T432 PolarHBondContact O-N 2.97Å; V428-T432 PolarHBondContact O-OG1 3.31Å; L429-T432 PolarHBondContact O-N 3.4Å; L429-T432 VanDerWaalsContact O-N 3.16Å; F430-T432 PolarHBondContact O-N 3.23Å; T432-A434 VanDerWaalsContact C-N 3.3Å; T432-A434 PolarHBondContact O-N 3.11Å; T432-E435 WeakPolarHBondContact O-CB 3.21Å; T432-E435 PolarHBondContact O-N 2.87Å; T432-V436 HydrophobicContact CG2-CG2 4.49Å; T432-V436 WeakPolarHBondContact O-CG2 3.25Å; T432-V436 PolarHBondContact O-N 3.39Å |
| 433 | Y | 90.4 | Very high | 83.2 | Confident | 9 Ų | 9 | 43.2 Ų | 43.2 | 4% | 0.035 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -60.2 | -42.9 | 178.4 | -159 | -81.3 | 0 | 0 | 0 | 110.9 | L393 L429 F430 E435 V436 L437 V446 E450 L498 | L393-Y433 HydrophobicContact CD1-CD2 4.15Å; L393-Y433 HydrophobicContact CD2-CD2 3.92Å; L393-Y433 HydrophobicContact CD2-CE2 4.17Å; L429-Y433 VanDerWaalsContact O-CB 3.29Å; L429-Y433 WeakPolarHBondContact O-CB 3.41Å; L429-Y433 PolarHBondContact O-N 3.17Å; F430-Y433 PolarHBondContact O-N 3.16Å; Y433-E435 PolarHBondContact O-N 2.82Å; Y433-V436 PolarHBondContact O-N 3.43Å; Y433-L437 HydrophobicContact CD1-CD1 3.81Å; Y433-L437 HydrophobicContact CD1-CG 4.11Å; Y433-L437 HydrophobicContact CE1-CD1 3.86Å; Y433-L437 HydrophobicContact CE1-CD2 4.32Å; Y433-L437 HydrophobicContact CE1-CG 4.11Å; Y433-L437 WeakPolarHBondContact O-CG 3.49Å; Y433-L437 PolarHBondContact O-N 3.32Å; Y433-V446 HydrophobicContact CE1-CG2 4.29Å; Y433-E450 WeakPolarHBondContact CE2-OE2 3.26Å; Y433-E450 PolarHBondContact OH-OE2 3.27Å; Y433-L498 HydrophobicContact CD1-CD1 3.94Å; Y433-L498 HydrophobicContact CE1-CD1 3.85Å |
| 434 | A | 90.1 | Very high | 82.8 | Confident | 1 Ų | 1 | 41.2 Ų | 41.2 | 1% | 0.008 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -64.1 | -39.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | F430 Q431 T432 L438 T472 K476 L495 | F430-A434 VanDerWaalsContact O-CB 3.31Å; F430-A434 WeakPolarHBondContact O-CB 3.35Å; F430-A434 PolarHBondContact O-N 3.11Å; Q431-A434 PolarHBondContact O-N 2.95Å; T432-A434 VanDerWaalsContact C-N 3.3Å; T432-A434 PolarHBondContact O-N 3.11Å; A434-L438 VanDerWaalsContact O-CG 3.29Å; A434-L438 WeakPolarHBondContact O-CG 3.22Å; A434-L438 PolarHBondContact O-N 2.86Å; A434-T472 HydrophobicContact CB-CG2 4.11Å; A434-K476 HydrophobicContact CB-CG 4.11Å; A434-L495 HydrophobicContact CB-CD2 3.46Å; A434-L495 VanDerWaalsContact CB-CD2 3.46Å |
| 435 | E | 89.2 | Confident | 82.4 | Confident | 63 Ų | 63 | 43.6 Ų | 43.6 | 29% | 0.294 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -63.7 | -41 | 173.2 | -73.6 | -174.7 | 176.9 | 0 | 0 | 112.8 | K390 Q431 T432 Y433 L437 L438 D439 K476 | K390-E435 IonicContact NZ-OE2 2.8Å; K390-E435 PolarHBondContact NZ-OE2 3.28Å; Q431-E435 WeakPolarHBondContact O-CG 3.49Å; Q431-E435 PolarHBondContact O-N 3.19Å; T432-E435 WeakPolarHBondContact O-CB 3.21Å; T432-E435 PolarHBondContact O-N 2.87Å; Y433-E435 PolarHBondContact O-N 2.82Å; E435-L437 PolarHBondContact O-N 2.9Å; E435-L438 WeakPolarHBondContact O-CB 3.33Å; E435-L438 PolarHBondContact O-N 3.36Å; E435-D439 WeakPolarHBondContact O-CB 3.33Å; E435-D439 PolarHBondContact O-N 3.11Å; E435-K476 IonicContact OE1-NZ 3.82Å; E435-K476 PolarHBondContact OE1-NZ 3.21Å |
| 436 | V | 86.8 | Confident | 81.7 | Confident | 3 Ų | 3 | 40.3 Ų | 40.3 | 2% | 0.018 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63.4 | -44 | 179 | 175.1 | 0 | 0 | 0 | 0 | 110.7 | K390 L393 I394 C397 T432 Y433 L438 D439 F440 | K390-V436 HydrophobicContact CG-CG2 4.49Å; L393-V436 HydrophobicContact CB-CB 4.43Å; L393-V436 HydrophobicContact CB-CG1 4.29Å; L393-V436 HydrophobicContact CB-CG2 3.68Å; L393-V436 HydrophobicContact CD1-CG2 4.39Å; I394-V436 HydrophobicContact CG1-CG1 4.28Å; I394-V436 HydrophobicContact CG1-CG2 4.05Å; C397-V436 HydrophobicContact CB-CG1 4.21Å; T432-V436 HydrophobicContact CG2-CG2 4.49Å; T432-V436 WeakPolarHBondContact O-CG2 3.25Å; T432-V436 PolarHBondContact O-N 3.39Å; Y433-V436 PolarHBondContact O-N 3.43Å; V436-L438 VanDerWaalsContact C-N 3.25Å; V436-L438 PolarHBondContact O-N 3.18Å; V436-D439 PolarHBondContact O-N 2.94Å; V436-F440 WeakPolarHBondContact O-CB 3.34Å; V436-F440 PolarHBondContact O-N 3.36Å; V436-F440 VanDerWaalsContact O-N 3.12Å |
| 437 | L | 84.2 | Confident | 81.2 | Confident | 2 Ų | 2 | 42.2 Ų | 42.2 | 1% | 0.01 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -59.5 | -36 | 175 | -70.3 | 174.9 | 0 | 0 | 0 | 112.4 | Y433 E435 V444 V446 L495 L498 | Y433-L437 HydrophobicContact CD1-CD1 3.81Å; Y433-L437 HydrophobicContact CD1-CG 4.11Å; Y433-L437 HydrophobicContact CE1-CD1 3.86Å; Y433-L437 HydrophobicContact CE1-CD2 4.32Å; Y433-L437 HydrophobicContact CE1-CG 4.11Å; Y433-L437 WeakPolarHBondContact O-CG 3.49Å; Y433-L437 PolarHBondContact O-N 3.32Å; E435-L437 PolarHBondContact O-N 2.9Å; L437-V444 HydrophobicContact CD2-CB 3.58Å; L437-V444 HydrophobicContact CD2-CG1 3.55Å; L437-V444 HydrophobicContact CD2-CG2 4.03Å; L437-V446 HydrophobicContact CD2-CG2 4.46Å; L437-L495 HydrophobicContact CD1-CD2 3.75Å; L437-L495 HydrophobicContact CD1-CG 4.22Å; L437-L498 HydrophobicContact CD1-CD1 4.31Å |
| 438 | L | 81.6 | Confident | 80.5 | Confident | 23 Ų | 23 | 45.2 Ų | 45.2 | 12% | 0.12 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -70.9 | -47.1 | 177 | -71.8 | 172.6 | 0 | 0 | 0 | 112.8 | A434 E435 V436 F440 K476 L480 R491 | A434-L438 VanDerWaalsContact O-CG 3.29Å; A434-L438 WeakPolarHBondContact O-CG 3.22Å; A434-L438 PolarHBondContact O-N 2.86Å; E435-L438 WeakPolarHBondContact O-CB 3.33Å; E435-L438 PolarHBondContact O-N 3.36Å; V436-L438 VanDerWaalsContact C-N 3.25Å; V436-L438 PolarHBondContact O-N 3.18Å; L438-F440 VanDerWaalsContact C-N 3.31Å; L438-F440 PolarHBondContact O-N 3Å; L438-K476 HydrophobicContact CD1-CB 3.76Å; L438-K476 HydrophobicContact CD1-CD 3.4Å; L438-K476 VanDerWaalsContact CD1-CD 3.4Å; L438-K476 HydrophobicContact CD1-CG 3.54Å; L438-L480 HydrophobicContact CD2-CD1 3.54Å; L438-L480 HydrophobicContact CD2-CD2 3.47Å; L438-L480 VanDerWaalsContact CD2-CD2 3.47Å; L438-L480 HydrophobicContact CD2-CG 3.31Å; L438-R491 PolarHBondContact O-NH1 3.33Å |
| 439 | D | 79.2 | Confident | 80.1 | Confident | 104 Ų | 104 | 47.3 Ų | 47.3 | 56% | 0.556 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -75.5 | -18.5 | -172.5 | -71.5 | -18.7 | 0 | 0 | 0 | 112.8 | K390 E435 V436 | K390-D439 IonicContact NZ-OD2 3.15Å; E435-D439 WeakPolarHBondContact O-CB 3.33Å; E435-D439 PolarHBondContact O-N 3.11Å; V436-D439 PolarHBondContact O-N 2.94Å |
| 440 | F | 72.4 | Confident | 79.6 | Confident | 33 Ų | 33 | 47.3 Ų | 47.3 | 15% | 0.145 | 26% | 0.26 | C | S | . | . | trans | -69.2 | 145.7 | -178.8 | -157.9 | -102.7 | 0 | 0 | 0 | 112.3 | C397 R398 V436 L438 V444 R491 | C397-F440 VanDerWaalsContact C-CE2 3.46Å; C397-F440 HydrophobicContact CB-CD2 4.03Å; C397-F440 HydrophobicContact CB-CE2 3.89Å; C397-F440 WeakPolarHBondContact O-CE2 3.44Å; C397-F440 WeakPolarHBondContact O-CZ 3.47Å; R398-F440 HydrophobicContact CB-CE2 4.2Å; R398-F440 HydrophobicContact CG-CD2 4.27Å; R398-F440 HydrophobicContact CG-CE2 3.49Å; R398-F440 VanDerWaalsContact CG-CE2 3.49Å; R398-F440 HydrophobicContact CG-CZ 4.35Å; V436-F440 WeakPolarHBondContact O-CB 3.34Å; V436-F440 PolarHBondContact O-N 3.36Å; V436-F440 VanDerWaalsContact O-N 3.12Å; L438-F440 VanDerWaalsContact C-N 3.31Å; L438-F440 PolarHBondContact O-N 3Å; F440-V444 HydrophobicContact CB-CG2 3.74Å; F440-V444 HydrophobicContact CD1-CG2 3.43Å; F440-V444 VanDerWaalsContact CD1-CG2 3.43Å; F440-V444 HydrophobicContact CD2-CG2 4.29Å; F440-V444 HydrophobicContact CE1-CG2 4.05Å; F440-V444 HydrophobicContact CG-CG2 3.57Å; F440-R491 PolarHBondContact O-NH1 2.85Å; F440-R491 PolarHBondContact O-NH2 3.02Å | ||
| 441 | V | 63.3 | Low | 79.1 | Confident | 137 Ų | 137 | 49.3 Ų | 49.3 | 83% | 0.83 | 27% | 0.268 | S | S | * | . | S | Bend | trans | -110.4 | 101.5 | 171.6 | -179.7 | 0 | 0 | 0 | 0 | 107.6 | ||
| 442 | G | 62.4 | Low | 78.4 | Confident | 34 Ų | 34 | 54.6 Ų | 54.6 | 35% | 0.351 | 29% | 0.285 | S | S | . | . | S | Bend | trans | 138.4 | -172.7 | -170.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | R491 | G442-R491 PolarHBondContact O-NH2 3.38Š|
| 443 | N | 62.8 | Low | 78.2 | Confident | 124 Ų | 124 | 54.3 Ų | 54.3 | 66% | 0.663 | 28% | 0.284 | S | S | * | . | trans | -86.8 | 136.9 | 167.7 | -70.6 | -6.7 | 0 | 0 | 0 | 108.8 | ||||
| 444 | V | 71 | Confident | 78 | Confident | 10 Ų | 10 | 53.9 Ų | 53.9 | 6% | 0.061 | 28% | 0.282 | C | S | . | . | trans | -109.3 | 115.3 | 169.4 | 179.7 | 0 | 0 | 0 | 0 | 106.2 | C397 L437 F440 V446 Q494 | C397-V444 HydrophobicContact CB-CG1 4.28Å; L437-V444 HydrophobicContact CD2-CB 3.58Å; L437-V444 HydrophobicContact CD2-CG1 3.55Å; L437-V444 HydrophobicContact CD2-CG2 4.03Å; F440-V444 HydrophobicContact CB-CG2 3.74Å; F440-V444 HydrophobicContact CD1-CG2 3.43Å; F440-V444 VanDerWaalsContact CD1-CG2 3.43Å; F440-V444 HydrophobicContact CD2-CG2 4.29Å; F440-V444 HydrophobicContact CE1-CG2 4.05Å; F440-V444 HydrophobicContact CG-CG2 3.57Å; V444-V446 PolarHBondContact O-N 3.27Å; V444-Q494 PolarHBondContact O-NE2 3.01Å | ||
| 445 | D | 70.7 | Confident | 77.6 | Confident | 107 Ų | 107 | 58.1 Ų | 58.1 | 57% | 0.572 | 30% | 0.302 | S | S | * | . | P | Polyproline II helix | trans | -78.9 | 123.8 | 177.3 | -62.5 | -41.7 | 0 | 0 | 0 | 109.3 | Y447 | D445-Y447 HydrophobicContact CB-CE1 4.49Š|
| 446 | V | 72.6 | Confident | 77.2 | Confident | 18 Ų | 18 | 60 Ų | 60 | 11% | 0.109 | 32% | 0.318 | C | S | . | . | P | Polyproline II helix | trans | -102.2 | 118.6 | 172.1 | -175.6 | 0 | 0 | 0 | 0 | 107.2 | Y433 L437 V444 E450 Y451 L498 | Y433-V446 HydrophobicContact CE1-CG2 4.29Å; L437-V446 HydrophobicContact CD2-CG2 4.46Å; V444-V446 PolarHBondContact O-N 3.27Å; V446-E450 HydrophobicContact CG1-CB 4.07Å; V446-Y451 HydrophobicContact CB-CE2 3.8Å; V446-Y451 HydrophobicContact CG1-CD2 3.99Å; V446-Y451 HydrophobicContact CG1-CE1 4.08Å; V446-Y451 HydrophobicContact CG1-CE2 3.46Å; V446-Y451 VanDerWaalsContact CG1-CE2 3.46Å; V446-Y451 WeakPolarHBondContact O-CE2 3.38Å; V446-L498 HydrophobicContact CG1-CD2 4.36Å |
| 447 | Y | 79.3 | Confident | 77.1 | Confident | 40 Ų | 40 | 60.8 Ų | 60.8 | 16% | 0.157 | 32% | 0.323 | C | S | . | . | P | Polyproline II helix | trans | -79.9 | 149.8 | -173.4 | -57.9 | -79.7 | 0 | 0 | 0 | 111.8 | L406 V410 D445 E449 E450 Y451 | L406-Y447 HydrophobicContact CD1-CE1 3.69Å; L406-Y447 HydrophobicContact CD1-CE2 4.38Å; L406-Y447 VanDerWaalsContact CD1-CZ 3.48Å; L406-Y447 WeakPolarHBondContact CD1-OH 3.33Å; L406-Y447 HydrophobicContact CD2-CE1 4.35Å; L406-Y447 HydrophobicContact CG-CE1 4.34Å; V410-Y447 HydrophobicContact CG2-CD1 4.26Å; V410-Y447 HydrophobicContact CG2-CD2 3.54Å; V410-Y447 HydrophobicContact CG2-CE2 3.92Å; V410-Y447 HydrophobicContact CG2-CG 3.75Å; D445-Y447 HydrophobicContact CB-CE1 4.49Å; Y447-E449 WeakPolarHBondContact CB-OE2 3.48Å; Y447-E449 PolarHBondContact O-N 3.29Å; Y447-E449 VanDerWaalsContact O-N 3.1Å; Y447-E450 WeakPolarHBondContact CD2-OE1 3.21Å; Y447-E450 PolarHBondContact N-OE1 3.37Å; Y447-E450 WeakPolarHBondContact O-CB 3.42Å; Y447-E450 PolarHBondContact O-N 2.89Å; Y447-Y451 VanDerWaalsContact O-CD2 3.3Å; Y447-Y451 WeakPolarHBondContact O-CD2 3.31Å; Y447-Y451 PolarHBondContact O-N 3.4Å |
| 448 | P | 76.1 | Confident | 77.1 | Confident | 95 Ų | 95 | 60.7 Ų | 60.7 | 62% | 0.617 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -49.8 | -35.4 | 175.4 | -28.6 | 36.2 | 0 | 0 | 0 | 114 | E450 Y451 R452 | P448-E450 VanDerWaalsContact C-N 3.34Å; P448-Y451 PolarHBondContact O-N 3.39Å; P448-R452 PolarHBondContact O-N 3.29Å |
| 449 | E | 81.5 | Confident | 76.6 | Confident | 100 Ų | 100 | 62.1 Ų | 62.1 | 47% | 0.467 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -64.2 | -36.3 | 177.1 | -64.9 | 78.9 | -176.3 | 0 | 0 | 112.2 | V410 V414 Y447 R452 A453 | V410-E449 HydrophobicContact CG1-CB 3.69Å; V410-E449 HydrophobicContact CG1-CG 4.01Å; V414-E449 HydrophobicContact CG2-CB 3.95Å; Y447-E449 WeakPolarHBondContact CB-OE2 3.48Å; Y447-E449 PolarHBondContact O-N 3.29Å; Y447-E449 VanDerWaalsContact O-N 3.1Å; E449-R452 PolarHBondContact O-N 3.48Å; E449-A453 WeakPolarHBondContact O-CB 3.31Å; E449-A453 PolarHBondContact O-N 2.86Å |
| 450 | E | 82.1 | Confident | 76.3 | Confident | 1 Ų | 1 | 63.8 Ų | 63.8 | 1% | 0.005 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -67.8 | -45.2 | 175.9 | -64.9 | -179.1 | -98.1 | 0 | 0 | 110.9 | L413 I417 Y433 V446 Y447 P448 R452 A453 F454 | L413-E450 HydrophobicContact CB-CG 4.27Å; I417-E450 HydrophobicContact CD1-CB 4.04Å; I417-E450 HydrophobicContact CD1-CG 4.3Å; Y433-E450 WeakPolarHBondContact CE2-OE2 3.26Å; Y433-E450 PolarHBondContact OH-OE2 3.27Å; V446-E450 HydrophobicContact CG1-CB 4.07Å; Y447-E450 WeakPolarHBondContact CD2-OE1 3.21Å; Y447-E450 PolarHBondContact N-OE1 3.37Å; Y447-E450 WeakPolarHBondContact O-CB 3.42Å; Y447-E450 PolarHBondContact O-N 2.89Å; P448-E450 VanDerWaalsContact C-N 3.34Å; E450-R452 VanDerWaalsContact C-N 3.3Å; E450-R452 PolarHBondContact O-N 3.35Å; E450-A453 WeakPolarHBondContact O-CB 3.42Å; E450-A453 PolarHBondContact O-N 3.04Å; E450-A453 VanDerWaalsContact O-N 3.14Å; E450-F454 WeakPolarHBondContact O-CD2 3.26Å; E450-F454 PolarHBondContact O-N 3.49Å |
| 451 | Y | 81.9 | Confident | 76.6 | Confident | 45 Ų | 45 | 62.7 Ų | 62.7 | 18% | 0.176 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -56.8 | -47 | 173.9 | -69.1 | -74.6 | 0 | 0 | 0 | 110.8 | V446 Y447 P448 A453 F454 Q455 T497 L498 V501 | V446-Y451 HydrophobicContact CB-CE2 3.8Å; V446-Y451 HydrophobicContact CG1-CD2 3.99Å; V446-Y451 HydrophobicContact CG1-CE1 4.08Å; V446-Y451 HydrophobicContact CG1-CE2 3.46Å; V446-Y451 VanDerWaalsContact CG1-CE2 3.46Å; V446-Y451 WeakPolarHBondContact O-CE2 3.38Å; Y447-Y451 VanDerWaalsContact O-CD2 3.3Å; Y447-Y451 WeakPolarHBondContact O-CD2 3.31Å; Y447-Y451 PolarHBondContact O-N 3.4Å; P448-Y451 PolarHBondContact O-N 3.39Å; Y451-A453 VanDerWaalsContact C-N 3.32Å; Y451-A453 PolarHBondContact O-N 3.24Å; Y451-F454 PolarHBondContact O-N 2.95Å; Y451-Q455 WeakPolarHBondContact O-CB 3.44Å; Y451-Q455 PolarHBondContact O-N 3.29Å; Y451-T497 HydrophobicContact CD1-CG2 4.07Å; Y451-T497 HydrophobicContact CE1-CG2 3.51Å; Y451-L498 HydrophobicContact CD1-CD2 3.66Å; Y451-L498 HydrophobicContact CD1-CG 4.15Å; Y451-L498 HydrophobicContact CE1-CD2 3.71Å; Y451-L498 HydrophobicContact CE1-CG 3.72Å; Y451-V501 HydrophobicContact CD1-CG2 4.25Å; Y451-V501 VanDerWaalsContact O-CG1 3.3Å; Y451-V501 WeakPolarHBondContact O-CG1 3.49Å |
| 452 | R | 78.4 | Confident | 77.4 | Confident | 180 Ų | 180 | 62.8 Ų | 62.8 | 68% | 0.679 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -63 | -38.2 | 177.4 | -166 | 177.7 | -174 | 177.7 | 2.4 | 112.1 | P448 E449 E450 Q455 V456 | P448-R452 PolarHBondContact O-N 3.29Å; E449-R452 PolarHBondContact O-N 3.48Å; E450-R452 VanDerWaalsContact C-N 3.3Å; E450-R452 PolarHBondContact O-N 3.35Å; R452-Q455 VanDerWaalsContact O-CB 3.31Å; R452-Q455 WeakPolarHBondContact O-CB 3.15Å; R452-Q455 PolarHBondContact O-N 2.83Å; R452-V456 WeakPolarHBondContact O-CG2 3.37Å; R452-V456 PolarHBondContact O-N 3.37Å |
| 453 | A | 85.4 | Confident | 78 | Confident | 11 Ų | 11 | 65.9 Ų | 65.9 | 9% | 0.091 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -64.6 | -42.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | V414 I417 E449 E450 Y451 S457 | V414-A453 HydrophobicContact CB-CB 4.38Å; V414-A453 HydrophobicContact CG1-CB 4.04Å; V414-A453 HydrophobicContact CG2-CB 4.2Å; I417-A453 HydrophobicContact CB-CB 4.02Å; I417-A453 HydrophobicContact CD1-CB 4.05Å; I417-A453 HydrophobicContact CG2-CB 3.83Å; E449-A453 WeakPolarHBondContact O-CB 3.31Å; E449-A453 PolarHBondContact O-N 2.86Å; E450-A453 WeakPolarHBondContact O-CB 3.42Å; E450-A453 PolarHBondContact O-N 3.04Å; E450-A453 VanDerWaalsContact O-N 3.14Å; Y451-A453 VanDerWaalsContact C-N 3.32Å; Y451-A453 PolarHBondContact O-N 3.24Å; A453-S457 WeakPolarHBondContact O-CB 3.37Å; A453-S457 PolarHBondContact O-N 2.91Å; A453-S457 PolarHBondContact O-OG 3.48Å |
| 454 | F | 88.2 | Confident | 78.7 | Confident | 0 Ų | 0 | 66.6 Ų | 66.6 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -63 | -43.6 | 172.3 | -86.3 | -71.4 | 0 | 0 | 0 | 111.3 | I417 L426 F430 E450 Y451 V456 S457 A458 L498 I502 | I417-F454 HydrophobicContact CD1-CD2 3.72Å; I417-F454 HydrophobicContact CD1-CE2 3.5Å; I417-F454 HydrophobicContact CD1-CZ 4.17Å; I417-F454 HydrophobicContact CG1-CD2 4.25Å; I417-F454 HydrophobicContact CG1-CE1 4.49Å; I417-F454 HydrophobicContact CG1-CE2 3.83Å; I417-F454 HydrophobicContact CG1-CZ 3.96Å; I417-F454 HydrophobicContact CG2-CD1 3.97Å; I417-F454 HydrophobicContact CG2-CD2 4.22Å; I417-F454 HydrophobicContact CG2-CE1 4.22Å; I417-F454 HydrophobicContact CG2-CE2 4.46Å; I417-F454 HydrophobicContact CG2-CG 3.97Å; I417-F454 HydrophobicContact CG2-CZ 4.46Å; L426-F454 HydrophobicContact CD1-CD1 3.87Å; L426-F454 HydrophobicContact CD1-CE1 3.83Å; L426-F454 HydrophobicContact CG-CD1 4.39Å; L426-F454 HydrophobicContact CG-CE1 4.49Å; F430-F454 HydrophobicContact CD2-CE1 4.33Å; E450-F454 WeakPolarHBondContact O-CD2 3.26Å; E450-F454 PolarHBondContact O-N 3.49Å; Y451-F454 PolarHBondContact O-N 2.95Å; F454-V456 PolarHBondContact O-N 2.81Å; F454-S457 PolarHBondContact O-N 3.42Å; F454-A458 WeakPolarHBondContact O-CB 3.49Å; F454-A458 PolarHBondContact O-N 3.05Å; F454-L498 HydrophobicContact CD2-CD2 3.48Å; F454-L498 VanDerWaalsContact CD2-CD2 3.48Å; F454-L498 HydrophobicContact CE2-CD2 3.79Å; F454-L498 HydrophobicContact CG-CD2 4.19Å; F454-I502 HydrophobicContact CB-CD1 4.4Å; F454-I502 HydrophobicContact CB-CG1 4.05Å; F454-I502 HydrophobicContact CD1-CD1 3.75Å; F454-I502 HydrophobicContact CD1-CG1 4.24Å; F454-I502 HydrophobicContact CE1-CD1 4.39Å; F454-I502 HydrophobicContact CG-CD1 4.31Å; F454-I502 HydrophobicContact CG-CG1 4.49Å |
| 455 | Q | 81.4 | Confident | 79.3 | Confident | 91 Ų | 91 | 66.8 Ų | 66.8 | 43% | 0.425 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -54 | -52.8 | 177.6 | -159.8 | -177 | -0.8 | 0 | 0 | 111.9 | Y451 R452 S457 A458 V501 S505 | Y451-Q455 WeakPolarHBondContact O-CB 3.44Å; Y451-Q455 PolarHBondContact O-N 3.29Å; R452-Q455 VanDerWaalsContact O-CB 3.31Å; R452-Q455 WeakPolarHBondContact O-CB 3.15Å; R452-Q455 PolarHBondContact O-N 2.83Å; Q455-S457 VanDerWaalsContact C-N 3.34Å; Q455-A458 PolarHBondContact O-N 3.41Å; Q455-V501 HydrophobicContact CB-CG1 3.42Å; Q455-V501 VanDerWaalsContact CB-CG1 3.42Å; Q455-V501 HydrophobicContact CG-CG1 3.71Å; Q455-S505 WeakPolarHBondContact CG-OG 3.17Å; Q455-S505 WeakPolarHBondContact O-CB 3.22Å |
| 456 | V | 81.1 | Confident | 80 | Confident | 102 Ų | 102 | 61.9 Ų | 61.9 | 62% | 0.618 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -67.9 | -37.2 | -178.4 | 174.1 | 0 | 0 | 0 | 0 | 111.1 | R452 F454 A458 | R452-V456 WeakPolarHBondContact O-CG2 3.37Å; R452-V456 PolarHBondContact O-N 3.37Å; F454-V456 PolarHBondContact O-N 2.81Å; V456-A458 VanDerWaalsContact C-N 3.29Å; V456-A458 PolarHBondContact O-N 3Å |
| 457 | S | 84.1 | Confident | 80.6 | Confident | 20 Ų | 20 | 62.4 Ų | 62.4 | 14% | 0.14 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -74.8 | -18.7 | -179.1 | -59.2 | 0 | 0 | 0 | 0 | 113.3 | A453 F454 Q455 | A453-S457 WeakPolarHBondContact O-CB 3.37Å; A453-S457 PolarHBondContact O-N 2.91Å; A453-S457 PolarHBondContact O-OG 3.48Å; F454-S457 PolarHBondContact O-N 3.42Å; Q455-S457 VanDerWaalsContact C-N 3.34Å |
| 458 | A | 83.2 | Confident | 81 | Confident | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | -14.4 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | L426 F454 Q455 V456 D460 L461 I502 | L426-A458 HydrophobicContact CD2-CB 4.33Å; F454-A458 WeakPolarHBondContact O-CB 3.49Å; F454-A458 PolarHBondContact O-N 3.05Å; Q455-A458 PolarHBondContact O-N 3.41Å; V456-A458 VanDerWaalsContact C-N 3.29Å; V456-A458 PolarHBondContact O-N 3Å; A458-D460 VanDerWaalsContact C-N 3.32Å; A458-D460 PolarHBondContact O-N 2.86Å; A458-L461 HydrophobicContact CB-CD1 3.87Å; A458-L461 WeakPolarHBondContact O-CB 3.43Å; A458-L461 WeakPolarHBondContact O-CG 3.18Å; A458-L461 PolarHBondContact O-N 3.46Å; A458-I502 HydrophobicContact CB-CB 4.18Å; A458-I502 HydrophobicContact CB-CG1 4.27Å; A458-I502 HydrophobicContact CB-CG2 3.82Å |
| 459 | V | 71.5 | Confident | 81.6 | Confident | 53 Ų | 53 | 57.9 Ų | 57.9 | 32% | 0.321 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57 | -42.5 | -170.1 | 178.2 | 0 | 0 | 0 | 0 | 112.9 | ||
| 460 | D | 73.1 | Confident | 82 | Confident | 138 Ų | 138 | 53.4 Ų | 53.4 | 74% | 0.738 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.4 | 15.7 | -175.2 | -67.1 | -36 | 0 | 0 | 0 | 113.6 | A458 K462 | A458-D460 VanDerWaalsContact C-N 3.32Å; A458-D460 PolarHBondContact O-N 2.86Å; D460-K462 PolarHBondContact O-N 2.91Å |
| 461 | L | 77.8 | Confident | 82.3 | Confident | 10 Ų | 10 | 56.3 Ų | 56.3 | 5% | 0.052 | 28% | 0.282 | C | S | . | . | trans | -61 | 131.2 | 177.7 | -78.9 | 174.8 | 0 | 0 | 0 | 111 | L426 A458 Q465 I469 I502 S508 | L426-L461 HydrophobicContact CB-CD2 4.06Å; L426-L461 HydrophobicContact CD2-CD1 4.17Å; L426-L461 HydrophobicContact CD2-CD2 4.26Å; L426-L461 HydrophobicContact CD2-CG 4.36Å; A458-L461 HydrophobicContact CB-CD1 3.87Å; A458-L461 WeakPolarHBondContact O-CB 3.43Å; A458-L461 WeakPolarHBondContact O-CG 3.18Å; A458-L461 PolarHBondContact O-N 3.46Å; L461-Q465 HydrophobicContact CD2-CB 3.85Å; L461-I469 HydrophobicContact CD1-CD1 3.7Å; L461-I469 HydrophobicContact CD2-CD1 4.49Å; L461-I502 HydrophobicContact CD1-CG2 3.76Å; L461-S508 WeakPolarHBondContact O-CB 3.42Å; L461-S508 PolarHBondContact O-OG 3.32Å | ||
| 462 | K | 80.7 | Confident | 82.7 | Confident | 140 Ų | 140 | 54.6 Ų | 54.6 | 61% | 0.609 | 28% | 0.276 | S | S | * | . | trans | -75.1 | 153.8 | 171.5 | -61.4 | 174.6 | -175.7 | 169.3 | 0 | 110.1 | D460 I464 Q465 M466 | D460-K462 PolarHBondContact O-N 2.91Å; K462-I464 VanDerWaalsContact C-N 3.26Å; K462-I464 PolarHBondContact O-N 3.36Å; K462-I464 VanDerWaalsContact O-N 3.15Å; K462-Q465 HydrophobicContact CB-CG 4.37Å; K462-Q465 WeakPolarHBondContact O-CA 3.31Å; K462-Q465 WeakPolarHBondContact O-CB 3.25Å; K462-Q465 PolarHBondContact O-N 3.29Å; K462-M466 PolarHBondContact O-N 2.72Å | ||
| 463 | Q | 76.2 | Confident | 83.3 | Confident | 99 Ų | 99 | 46.1 Ų | 46.1 | 46% | 0.463 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -50 | -43.2 | 178.5 | -166.7 | -178.3 | 10.9 | 0 | 0 | 113 | Q465 M466 S467 S508 D513 | Q463-Q465 VanDerWaalsContact C-N 3.3Å; Q463-Q465 PolarHBondContact O-N 3.42Å; Q463-M466 PolarHBondContact O-N 3.27Å; Q463-S467 PolarHBondContact O-N 3.42Å; Q463-S467 PolarHBondContact O-OG 2.95Å; Q463-S508 PolarHBondContact N-OG 3.21Å; Q463-D513 WeakPolarHBondContact CG-OD2 3.31Å; Q463-D513 PolarHBondContact NE2-OD1 2.86Å; Q463-D513 VanDerWaalsContact NE2-OD1 3.07Å; Q463-D513 PolarHBondContact NE2-OD2 2.79Å |
| 464 | I | 76.3 | Confident | 83.5 | Confident | 138 Ų | 138 | 45.8 Ų | 45.8 | 71% | 0.708 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -60 | -38.7 | 177.5 | -62.6 | 172.6 | 0 | 0 | 0 | 112 | K462 S467 T468 | K462-I464 VanDerWaalsContact C-N 3.26Å; K462-I464 PolarHBondContact O-N 3.36Å; K462-I464 VanDerWaalsContact O-N 3.15Å; I464-S467 WeakPolarHBondContact O-CB 3.09Å; I464-T468 PolarHBondContact O-N 3.12Å; I464-T468 PolarHBondContact O-OG1 3.15Å; I464-T468 VanDerWaalsContact O-OG1 3.13Å |
| 465 | Q | 84 | Confident | 83.6 | Confident | 14 Ų | 14 | 48.4 Ų | 48.4 | 7% | 0.065 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -73 | -40.4 | 179.7 | -58.4 | 173.6 | -83 | 0 | 0 | 110.5 | S424 E427 L461 K462 Q463 S467 T468 I469 | S424-Q465 PolarHBondContact O-NE2 2.87Å; E427-Q465 HydrophobicContact CB-CB 4.34Å; E427-Q465 HydrophobicContact CG-CB 4.42Å; E427-Q465 PolarHBondContact OE2-NE2 3.1Å; L461-Q465 HydrophobicContact CD2-CB 3.85Å; K462-Q465 HydrophobicContact CB-CG 4.37Å; K462-Q465 WeakPolarHBondContact O-CA 3.31Å; K462-Q465 WeakPolarHBondContact O-CB 3.25Å; K462-Q465 PolarHBondContact O-N 3.29Å; Q463-Q465 VanDerWaalsContact C-N 3.3Å; Q463-Q465 PolarHBondContact O-N 3.42Å; Q465-S467 VanDerWaalsContact C-N 3.33Å; Q465-S467 PolarHBondContact O-N 2.84Å; Q465-T468 WeakPolarHBondContact O-CB 3.3Å; Q465-T468 PolarHBondContact O-N 3.09Å; Q465-T468 VanDerWaalsContact O-N 3.15Å; Q465-I469 WeakPolarHBondContact O-CG1 3.35Å; Q465-I469 PolarHBondContact O-N 3.44Å |
| 466 | M | 85.7 | Confident | 84 | Confident | 5 Ų | 5 | 45.8 Ų | 45.8 | 3% | 0.025 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -61.6 | -42.5 | 174.8 | -167.7 | 60.4 | -167.3 | 0 | 0 | 111.3 | K462 Q463 T468 I469 I470 F499 I502 C506 | K462-M466 PolarHBondContact O-N 2.72Å; Q463-M466 PolarHBondContact O-N 3.27Å; M466-T468 VanDerWaalsContact C-N 3.29Å; M466-T468 PolarHBondContact O-N 3.35Å; M466-I469 PolarHBondContact O-N 2.98Å; M466-I469 VanDerWaalsContact O-N 3.17Å; M466-I470 HydrophobicContact CE-CD1 4.28Å; M466-I470 HydrophobicContact CE-CG1 4.1Å; M466-I470 HydrophobicContact CG-CD1 4.02Å; M466-I470 HydrophobicContact CG-CG1 4.48Å; M466-I470 VanDerWaalsContact O-CG1 3.23Å; M466-I470 WeakPolarHBondContact O-CG1 3.49Å; M466-I470 PolarHBondContact O-N 3.22Å; M466-F499 HydrophobicContact CE-CD2 4.48Å; M466-F499 HydrophobicContact CE-CE2 3.71Å; M466-F499 HydrophobicContact CE-CZ 4.38Å; M466-I502 HydrophobicContact SD-CG2 4.11Å; M466-C506 HydrophobicContact SD-CB 4.29Å |
| 467 | S | 84.9 | Confident | 84.4 | Confident | 28 Ų | 28 | 41 Ų | 41 | 20% | 0.196 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -54.8 | -42.5 | 171.8 | -69.8 | 0 | 0 | 0 | 0 | 112.8 | Q463 I464 Q465 N471 | Q463-S467 PolarHBondContact O-N 3.42Å; Q463-S467 PolarHBondContact O-OG 2.95Å; I464-S467 WeakPolarHBondContact O-CB 3.09Å; Q465-S467 VanDerWaalsContact C-N 3.33Å; Q465-S467 PolarHBondContact O-N 2.84Å; S467-N471 WeakPolarHBondContact O-CB 3.36Å; S467-N471 PolarHBondContact O-N 3.38Å; S467-N471 PolarHBondContact O-ND2 3.41Å |
| 468 | T | 87 | Confident | 84.5 | Confident | 41 Ų | 41 | 41 Ų | 41 | 25% | 0.252 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -65.4 | -42.8 | 176.5 | -58.8 | 0 | 0 | 0 | 0 | 112.1 | E427 I464 Q465 M466 N471 T472 | E427-T468 HydrophobicContact CB-CG2 3.98Å; E427-T468 HydrophobicContact CG-CG2 3.98Å; I464-T468 PolarHBondContact O-N 3.12Å; I464-T468 PolarHBondContact O-OG1 3.15Å; I464-T468 VanDerWaalsContact O-OG1 3.13Å; Q465-T468 WeakPolarHBondContact O-CB 3.3Å; Q465-T468 PolarHBondContact O-N 3.09Å; Q465-T468 VanDerWaalsContact O-N 3.15Å; M466-T468 VanDerWaalsContact C-N 3.29Å; M466-T468 PolarHBondContact O-N 3.35Å; T468-N471 PolarHBondContact O-N 3.3Å; T468-T472 VanDerWaalsContact O-CB 3.32Å; T468-T472 WeakPolarHBondContact O-CB 3.49Å; T468-T472 PolarHBondContact O-N 3.18Å; T468-T472 PolarHBondContact O-OG1 2.96Å |
| 469 | I | 89.4 | Confident | 84.6 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -63.7 | -44.7 | 177 | -68.7 | 172.3 | 0 | 0 | 0 | 110.8 | E427 F430 L461 Q465 M466 T472 T473 F499 I502 | E427-I469 HydrophobicContact CB-CD1 4.32Å; E427-I469 HydrophobicContact CB-CG1 3.86Å; F430-I469 HydrophobicContact CB-CG1 4.31Å; F430-I469 HydrophobicContact CD1-CB 4.37Å; F430-I469 HydrophobicContact CD1-CG1 4.26Å; F430-I469 HydrophobicContact CD1-CG2 3.94Å; F430-I469 HydrophobicContact CD2-CG2 4.34Å; F430-I469 HydrophobicContact CE1-CG2 3.85Å; F430-I469 HydrophobicContact CE2-CG2 4.23Å; F430-I469 HydrophobicContact CG-CG1 4.27Å; F430-I469 HydrophobicContact CG-CG2 4.2Å; F430-I469 HydrophobicContact CZ-CG2 3.99Å; L461-I469 HydrophobicContact CD1-CD1 3.7Å; L461-I469 HydrophobicContact CD2-CD1 4.49Å; Q465-I469 WeakPolarHBondContact O-CG1 3.35Å; Q465-I469 PolarHBondContact O-N 3.44Å; M466-I469 PolarHBondContact O-N 2.98Å; M466-I469 VanDerWaalsContact O-N 3.17Å; I469-T472 PolarHBondContact O-N 2.75Å; I469-T473 WeakPolarHBondContact O-CB 3.43Å; I469-T473 PolarHBondContact O-N 2.65Å; I469-T473 PolarHBondContact O-OG1 2.8Å; I469-F499 HydrophobicContact CG2-CD2 4.07Å; I469-I502 HydrophobicContact CD1-CG2 4.05Å; I469-I502 HydrophobicContact CG2-CD1 4.5Å; I469-I502 HydrophobicContact CG2-CG2 4.37Å |
| 470 | I | 88.7 | Confident | 85.3 | Confident | 5 Ų | 5 | 42.4 Ų | 42.4 | 3% | 0.026 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -58 | -54.6 | 175.7 | -68.3 | 164.7 | 0 | 0 | 0 | 109.9 | M466 T472 T473 V474 F499 M514 F517 I520 | M466-I470 HydrophobicContact CE-CD1 4.28Å; M466-I470 HydrophobicContact CE-CG1 4.1Å; M466-I470 HydrophobicContact CG-CD1 4.02Å; M466-I470 HydrophobicContact CG-CG1 4.48Å; M466-I470 VanDerWaalsContact O-CG1 3.23Å; M466-I470 WeakPolarHBondContact O-CG1 3.49Å; M466-I470 PolarHBondContact O-N 3.22Å; I470-T472 VanDerWaalsContact C-N 3.27Å; I470-T472 PolarHBondContact O-N 3.11Å; I470-T473 PolarHBondContact O-N 3.34Å; I470-V474 HydrophobicContact CG2-CG2 4.23Å; I470-V474 WeakPolarHBondContact O-CB 3.42Å; I470-V474 WeakPolarHBondContact O-CG2 3.42Å; I470-V474 PolarHBondContact O-N 2.89Å; I470-F499 HydrophobicContact CB-CE2 4.42Å; I470-F499 HydrophobicContact CG1-CE2 3.6Å; I470-F499 HydrophobicContact CG1-CZ 3.91Å; I470-M514 HydrophobicContact CD1-CB 4.29Å; I470-M514 HydrophobicContact CG2-CG 4.25Å; I470-F517 HydrophobicContact CB-CD2 4.43Å; I470-F517 HydrophobicContact CB-CE2 4.2Å; I470-F517 HydrophobicContact CG2-CD2 3.64Å; I470-F517 HydrophobicContact CG2-CE2 3.89Å; I470-I520 HydrophobicContact CG2-CD1 3.56Å |
| 471 | N | 88.7 | Confident | 85.6 | Confident | 62 Ų | 62 | 35.9 Ų | 35.9 | 33% | 0.332 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -56.4 | -42 | 179.2 | -84 | -30.7 | 0 | 0 | 0 | 113 | S467 T468 V474 S475 F517 | S467-N471 WeakPolarHBondContact O-CB 3.36Å; S467-N471 PolarHBondContact O-N 3.38Å; S467-N471 PolarHBondContact O-ND2 3.41Å; T468-N471 PolarHBondContact O-N 3.3Å; N471-V474 PolarHBondContact O-N 3.16Å; N471-S475 WeakPolarHBondContact O-CB 3.34Å; N471-S475 PolarHBondContact O-N 2.97Å; N471-F517 WeakPolarHBondContact ND2-CE1 3.48Å; N471-F517 WeakPolarHBondContact OD1-CD1 3.5Å; N471-F517 VanDerWaalsContact OD1-CE1 3.24Å; N471-F517 WeakPolarHBondContact OD1-CE1 3.4Å; N471-F517 WeakPolarHBondContact OD1-CG 3.34Å |
| 472 | T | 91.1 | Very high | 85.5 | Confident | 10 Ų | 10 | 40.4 Ų | 40.4 | 6% | 0.061 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -64.3 | -51 | 179.3 | -58.6 | 0 | 0 | 0 | 0 | 110.6 | F430 Q431 A434 T468 I469 I470 V474 S475 K476 | F430-T472 HydrophobicContact CD1-CG2 4.05Å; F430-T472 HydrophobicContact CE1-CG2 4.07Å; Q431-T472 HydrophobicContact CB-CG2 4.28Å; Q431-T472 HydrophobicContact CG-CG2 3.61Å; Q431-T472 WeakPolarHBondContact CG-OG1 3.31Å; Q431-T472 PolarHBondContact NE2-OG1 3.22Å; Q431-T472 VanDerWaalsContact NE2-OG1 3.09Å; A434-T472 HydrophobicContact CB-CG2 4.11Å; T468-T472 VanDerWaalsContact O-CB 3.32Å; T468-T472 WeakPolarHBondContact O-CB 3.49Å; T468-T472 PolarHBondContact O-N 3.18Å; T468-T472 PolarHBondContact O-OG1 2.96Å; I469-T472 PolarHBondContact O-N 2.75Å; I470-T472 VanDerWaalsContact C-N 3.27Å; I470-T472 PolarHBondContact O-N 3.11Å; T472-V474 VanDerWaalsContact C-N 3.28Å; T472-V474 PolarHBondContact O-N 3.11Å; T472-S475 PolarHBondContact O-N 3.31Å; T472-K476 HydrophobicContact CG2-CG 4.26Å; T472-K476 VanDerWaalsContact O-CB 3.31Å; T472-K476 WeakPolarHBondContact O-CB 3.42Å; T472-K476 VanDerWaalsContact O-CG 3.26Å; T472-K476 WeakPolarHBondContact O-CG 3.43Å; T472-K476 PolarHBondContact O-N 3.29Å |
| 473 | T | 91.2 | Very high | 84.9 | Confident | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.006 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -55.3 | -49.1 | 177.9 | -53.7 | 0 | 0 | 0 | 0 | 109.8 | F430 I469 I470 K476 C477 L496 F499 | F430-T473 VanDerWaalsContact CE1-OG1 3.27Å; F430-T473 WeakPolarHBondContact CE1-OG1 3.18Å; F430-T473 VanDerWaalsContact CZ-OG1 3.25Å; F430-T473 WeakPolarHBondContact CZ-OG1 3.33Å; I469-T473 WeakPolarHBondContact O-CB 3.43Å; I469-T473 PolarHBondContact O-N 2.65Å; I469-T473 PolarHBondContact O-OG1 2.8Å; I470-T473 PolarHBondContact O-N 3.34Å; T473-K476 PolarHBondContact O-N 3.12Å; T473-C477 WeakPolarHBondContact O-CB 3.48Å; T473-C477 PolarHBondContact O-N 3.15Å; T473-C477 PolarHBondContact O-SG 3.45Å; T473-L496 HydrophobicContact CG2-CD2 4.12Å; T473-F499 HydrophobicContact CG2-CB 3.74Å; T473-F499 HydrophobicContact CG2-CD1 4.25Å; T473-F499 HydrophobicContact CG2-CD2 4.38Å; T473-F499 HydrophobicContact CG2-CG 3.86Å |
| 474 | V | 89.5 | Confident | 84 | Confident | 5 Ų | 5 | 43.1 Ų | 43.1 | 3% | 0.03 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -64.7 | -50.7 | -176.5 | 173.8 | 0 | 0 | 0 | 0 | 111.7 | I470 N471 T472 K476 C477 L478 D519 I520 L523 | I470-V474 HydrophobicContact CG2-CG2 4.23Å; I470-V474 WeakPolarHBondContact O-CB 3.42Å; I470-V474 WeakPolarHBondContact O-CG2 3.42Å; I470-V474 PolarHBondContact O-N 2.89Å; N471-V474 PolarHBondContact O-N 3.16Å; T472-V474 VanDerWaalsContact C-N 3.28Å; T472-V474 PolarHBondContact O-N 3.11Å; V474-K476 PolarHBondContact O-N 2.95Å; V474-C477 PolarHBondContact O-N 3.45Å; V474-L478 HydrophobicContact CG1-CD1 3.95Å; V474-L478 HydrophobicContact CG1-CG 4.46Å; V474-L478 VanDerWaalsContact O-CB 3.32Å; V474-L478 WeakPolarHBondContact O-CB 3.1Å; V474-L478 VanDerWaalsContact O-CG 3.24Å; V474-L478 WeakPolarHBondContact O-CG 3.3Å; V474-L478 PolarHBondContact O-N 3.45Å; V474-D519 HydrophobicContact CG1-CB 3.63Å; V474-D519 WeakPolarHBondContact CG1-O 3.37Å; V474-I520 HydrophobicContact CB-CG1 4.25Å; V474-I520 HydrophobicContact CG1-CG1 4Å; V474-I520 HydrophobicContact CG2-CD1 3.86Å; V474-I520 HydrophobicContact CG2-CG1 3.27Å; V474-L523 HydrophobicContact CB-CD2 4.41Å; V474-L523 HydrophobicContact CG1-CB 4.25Å; V474-L523 HydrophobicContact CG1-CD2 4.38Å; V474-L523 HydrophobicContact CG2-CD2 4.12Å |
| 475 | S | 88.8 | Confident | 83.2 | Confident | 55 Ų | 55 | 38.1 Ų | 38.1 | 39% | 0.385 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -59.2 | -45.9 | 178.3 | 178.1 | 0 | 0 | 0 | 0 | 112.1 | N471 T472 L479 | N471-S475 WeakPolarHBondContact O-CB 3.34Å; N471-S475 PolarHBondContact O-N 2.97Å; T472-S475 PolarHBondContact O-N 3.31Å; S475-L479 WeakPolarHBondContact O-CG 3.44Å; S475-L479 PolarHBondContact O-N 3.37Å; S475-L479 VanDerWaalsContact O-N 3.13Å |
| 476 | K | 90 | Very high | 82 | Confident | 36 Ų | 36 | 44.4 Ų | 44.4 | 16% | 0.157 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -70.3 | -41.3 | -179.4 | -66.9 | -24.5 | -168.1 | 172.7 | 0 | 112 | A434 E435 L438 T472 T473 V474 L479 L480 L495 | A434-K476 HydrophobicContact CB-CG 4.11Å; E435-K476 IonicContact OE1-NZ 3.82Å; E435-K476 PolarHBondContact OE1-NZ 3.21Å; L438-K476 HydrophobicContact CD1-CB 3.76Å; L438-K476 HydrophobicContact CD1-CD 3.4Å; L438-K476 VanDerWaalsContact CD1-CD 3.4Å; L438-K476 HydrophobicContact CD1-CG 3.54Å; T472-K476 HydrophobicContact CG2-CG 4.26Å; T472-K476 VanDerWaalsContact O-CB 3.31Å; T472-K476 WeakPolarHBondContact O-CB 3.42Å; T472-K476 VanDerWaalsContact O-CG 3.26Å; T472-K476 WeakPolarHBondContact O-CG 3.43Å; T472-K476 PolarHBondContact O-N 3.29Å; T473-K476 PolarHBondContact O-N 3.12Å; V474-K476 PolarHBondContact O-N 2.95Å; K476-L479 HydrophobicContact CD-CD1 4.42Å; K476-L479 PolarHBondContact O-N 2.83Å; K476-L480 WeakPolarHBondContact O-CG 3.05Å; K476-L480 PolarHBondContact O-N 2.63Å; K476-L480 VanDerWaalsContact O-N 3.08Å; K476-L495 HydrophobicContact CB-CD1 3.95Å |
| 477 | C | 89.3 | Confident | 81.1 | Confident | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -67.4 | -35.6 | 176.3 | -71.6 | 0 | 0 | 0 | 0 | 112.2 | T473 V474 L480 A481 C492 L523 | T473-C477 WeakPolarHBondContact O-CB 3.48Å; T473-C477 PolarHBondContact O-N 3.15Å; T473-C477 PolarHBondContact O-SG 3.45Å; V474-C477 PolarHBondContact O-N 3.45Å; C477-L480 PolarHBondContact O-N 2.79Å; C477-A481 VanDerWaalsContact O-CB 3.25Å; C477-A481 WeakPolarHBondContact O-CB 3.38Å; C477-A481 PolarHBondContact O-N 3.48Å; C477-C492 VanDerWaalsContact SG-SG 3.63Å; C477-L523 HydrophobicContact CB-CD1 3.62Å; C477-L523 HydrophobicContact CB-CD2 4.16Å |
| 478 | L | 87.9 | Confident | 80.8 | Confident | 22 Ų | 22 | 56.1 Ų | 56.1 | 12% | 0.115 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -60.1 | -48.7 | 171.5 | -80 | 171.7 | 0 | 0 | 0 | 111.5 | V474 L480 A481 D482 D519 L523 L526 | V474-L478 HydrophobicContact CG1-CD1 3.95Å; V474-L478 HydrophobicContact CG1-CG 4.46Å; V474-L478 VanDerWaalsContact O-CB 3.32Å; V474-L478 WeakPolarHBondContact O-CB 3.1Å; V474-L478 VanDerWaalsContact O-CG 3.24Å; V474-L478 WeakPolarHBondContact O-CG 3.3Å; V474-L478 PolarHBondContact O-N 3.45Å; L478-L480 PolarHBondContact O-N 3.06Å; L478-A481 PolarHBondContact O-N 3.27Å; L478-A481 VanDerWaalsContact O-N 3.09Å; L478-D482 PolarHBondContact O-N 2.89Å; L478-D519 HydrophobicContact CD1-CB 3.85Å; L478-L523 HydrophobicContact CD2-CB 3.94Å; L478-L523 HydrophobicContact CD2-CD1 4.28Å; L478-L523 HydrophobicContact CG-CB 4.09Å; L478-L523 HydrophobicContact CG-CD1 4.26Å; L478-L526 HydrophobicContact CD2-CD1 3.37Å |
| 479 | L | 84.9 | Confident | 80.4 | Confident | 80 Ų | 80 | 54.2 Ų | 54.2 | 42% | 0.419 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -58.4 | -35.9 | 176.3 | -73 | 169.1 | 0 | 0 | 0 | 112.8 | S475 K476 R483 | S475-L479 WeakPolarHBondContact O-CG 3.44Å; S475-L479 PolarHBondContact O-N 3.37Å; S475-L479 VanDerWaalsContact O-N 3.13Å; K476-L479 HydrophobicContact CD-CD1 4.42Å; K476-L479 PolarHBondContact O-N 2.83Å; L479-R483 VanDerWaalsContact O-CG 3.31Å; L479-R483 WeakPolarHBondContact O-CG 3.3Å |
| 480 | L | 85 | Confident | 80 | Confident | 2 Ų | 2 | 55.8 Ų | 55.8 | 1% | 0.01 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -73.6 | -39.4 | 174.7 | -74.1 | 170.8 | 0 | 0 | 0 | 112.4 | L438 K476 C477 L478 D482 R483 Y488 R491 C492 L495 | L438-L480 HydrophobicContact CD2-CD1 3.54Å; L438-L480 HydrophobicContact CD2-CD2 3.47Å; L438-L480 VanDerWaalsContact CD2-CD2 3.47Å; L438-L480 HydrophobicContact CD2-CG 3.31Å; K476-L480 WeakPolarHBondContact O-CG 3.05Å; K476-L480 PolarHBondContact O-N 2.63Å; K476-L480 VanDerWaalsContact O-N 3.08Å; C477-L480 PolarHBondContact O-N 2.79Å; L478-L480 PolarHBondContact O-N 3.06Å; L480-D482 VanDerWaalsContact C-N 3.34Å; L480-R483 PolarHBondContact O-N 3.38Å; L480-Y488 HydrophobicContact CD2-CD1 3.59Å; L480-Y488 HydrophobicContact CD2-CE1 4.46Å; L480-Y488 HydrophobicContact CD2-CG 4.19Å; L480-R491 HydrophobicContact CD1-CB 3.96Å; L480-R491 HydrophobicContact CD2-CB 4.38Å; L480-C492 HydrophobicContact CB-CB 4.44Å; L480-C492 HydrophobicContact CD1-CB 4.1Å; L480-L495 HydrophobicContact CD1-CD1 3.81Å |
| 481 | A | 80.6 | Confident | 79.7 | Confident | 1 Ų | 1 | 57 Ų | 57 | 1% | 0.008 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -69.4 | -31.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | C477 L478 L526 N530 W537 | C477-A481 VanDerWaalsContact O-CB 3.25Å; C477-A481 WeakPolarHBondContact O-CB 3.38Å; C477-A481 PolarHBondContact O-N 3.48Å; L478-A481 PolarHBondContact O-N 3.27Å; L478-A481 VanDerWaalsContact O-N 3.09Å; A481-L526 HydrophobicContact CB-CB 4.08Å; A481-L526 HydrophobicContact CB-CD2 4.34Å; A481-N530 PolarHBondContact O-ND2 3.38Å; A481-W537 VanDerWaalsContact CA-CH2 3.46Å; A481-W537 HydrophobicContact CB-CH2 4.06Å; A481-W537 HydrophobicContact CB-CZ3 4.07Å |
| 482 | D | 76.1 | Confident | 79.7 | Confident | 104 Ų | 104 | 54.1 Ų | 54.1 | 56% | 0.556 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -74.3 | -24.5 | 175 | -74.1 | -19.3 | 0 | 0 | 0 | 112.8 | L478 L480 E484 L526 | L478-D482 PolarHBondContact O-N 2.89Å; L480-D482 VanDerWaalsContact C-N 3.34Å; D482-E484 PolarHBondContact O-N 2.94Å; D482-L526 WeakPolarHBondContact OD1-CD1 3.32Å; D482-L526 WeakPolarHBondContact OD1-CD2 3.43Å |
| 483 | R | 67.1 | Low | 79.5 | Confident | 133 Ų | 133 | 55.1 Ų | 55.1 | 50% | 0.502 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -83.7 | 113.5 | 178.7 | -70.8 | 176.6 | -177 | -168.1 | 3.1 | 110.1 | L479 L480 G485 Y488 | L479-R483 VanDerWaalsContact O-CG 3.31Å; L479-R483 WeakPolarHBondContact O-CG 3.3Å; L480-R483 PolarHBondContact O-N 3.38Å; R483-G485 PolarHBondContact O-N 3.33Å; R483-Y488 HydrophobicContact CB-CD2 3.87Å; R483-Y488 HydrophobicContact CB-CE2 3.74Å; R483-Y488 HydrophobicContact CB-CG 4.39Å; R483-Y488 WeakPolarHBondContact O-CD2 3.47Å |
| 484 | E | 57.7 | Low | 79.3 | Confident | 163 Ų | 163 | 56.2 Ų | 56.2 | 76% | 0.762 | 27% | 0.27 | S | S | * | . | trans | -65 | 120.3 | -179.3 | -62.6 | -174.1 | 156.3 | 0 | 0 | 112 | D482 | D482-E484 PolarHBondContact O-N 2.94Š| ||
| 485 | G | 58.5 | Low | 79.3 | Confident | 34 Ų | 34 | 56 Ų | 56 | 35% | 0.351 | 27% | 0.268 | S | S | . | . | S | Bend | trans | 160.3 | 147.3 | 169 | 0 | 0 | 0 | 0 | 0 | 115.2 | R483 R487 Y488 | R483-G485 PolarHBondContact O-N 3.33Å; G485-R487 PolarHBondContact O-N 3.03Å; G485-Y488 PolarHBondContact O-N 2.85Å |
| 486 | E | 60.2 | Low | 79.3 | Confident | 145 Ų | 145 | 53.4 Ų | 53.4 | 68% | 0.678 | 25% | 0.25 | S | S | * | . | H | α-helix | trans | -57.8 | -33.9 | 174 | -70.5 | -179.6 | 160.3 | 0 | 0 | 112 | Y488 G489 | E486-Y488 VanDerWaalsContact C-N 3.26Å; E486-Y488 PolarHBondContact O-N 2.83Å; E486-G489 PolarHBondContact O-N 3.27Å |
| 487 | R | 66.4 | Low | 79.2 | Confident | 215 Ų | 215 | 53.5 Ų | 53.5 | 81% | 0.811 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -65.1 | -20.8 | -175.8 | -65.1 | -176.6 | -179.3 | 177.8 | -0.5 | 115 | G485 | G485-R487 PolarHBondContact O-N 3.03Å |
| 488 | Y | 78.3 | Confident | 79.2 | Confident | 65 Ų | 65 | 53.6 Ų | 53.6 | 26% | 0.255 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -88.8 | -19.9 | -177 | -62.9 | -64.1 | 0 | 0 | 0 | 113.2 | L480 R483 G485 E486 R491 C492 | L480-Y488 HydrophobicContact CD2-CD1 3.59Å; L480-Y488 HydrophobicContact CD2-CE1 4.46Å; L480-Y488 HydrophobicContact CD2-CG 4.19Å; R483-Y488 HydrophobicContact CB-CD2 3.87Å; R483-Y488 HydrophobicContact CB-CE2 3.74Å; R483-Y488 HydrophobicContact CB-CG 4.39Å; R483-Y488 WeakPolarHBondContact O-CD2 3.47Å; G485-Y488 PolarHBondContact O-N 2.85Å; E486-Y488 VanDerWaalsContact C-N 3.26Å; E486-Y488 PolarHBondContact O-N 2.83Å; Y488-R491 PolarHBondContact O-N 2.83Å; Y488-C492 PolarHBondContact O-N 3.01Å |
| 489 | G | 78.3 | Confident | 79.3 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -60.2 | -49.5 | 178 | 0 | 0 | 0 | 0 | 0 | 111.7 | E486 R491 C492 L493 C540 | E486-G489 PolarHBondContact O-N 3.27Å; G489-R491 VanDerWaalsContact C-N 3.3Å; G489-R491 PolarHBondContact O-N 3.31Å; G489-C492 WeakPolarHBondContact O-CB 3.18Å; G489-C492 PolarHBondContact O-N 2.84Å; G489-C492 VanDerWaalsContact O-N 3.13Å; G489-L493 PolarHBondContact O-N 3.46Å; G489-C540 PolarHBondContact O-SG 3.4Å |
| 490 | C | 81.3 | Confident | 79.4 | Confident | 34 Ų | 34 | 49.4 Ų | 49.4 | 23% | 0.23 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -55.9 | -41 | 178.3 | -179.3 | 0 | 0 | 0 | 0 | 113 | L493 Q494 D536 | C490-L493 WeakPolarHBondContact O-CB 3.23Å; C490-L493 PolarHBondContact O-N 3.42Å; C490-Q494 WeakPolarHBondContact O-CG 3.41Å; C490-Q494 PolarHBondContact O-N 3.17Å; C490-D536 PolarHBondContact N-OD2 3.17Å |
| 491 | R | 83.8 | Confident | 79.2 | Confident | 31 Ų | 31 | 50.6 Ų | 50.6 | 12% | 0.117 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -68.9 | -40.1 | 177.5 | -62.6 | 177 | -172.3 | -162.5 | -7.6 | 112.6 | L438 F440 G442 L480 Y488 G489 L493 Q494 L495 | L438-R491 PolarHBondContact O-NH1 3.33Å; F440-R491 PolarHBondContact O-NH1 2.85Å; F440-R491 PolarHBondContact O-NH2 3.02Å; G442-R491 PolarHBondContact O-NH2 3.38Å; L480-R491 HydrophobicContact CD1-CB 3.96Å; L480-R491 HydrophobicContact CD2-CB 4.38Å; Y488-R491 PolarHBondContact O-N 2.83Å; G489-R491 VanDerWaalsContact C-N 3.3Å; G489-R491 PolarHBondContact O-N 3.31Å; R491-L493 VanDerWaalsContact C-N 3.27Å; R491-L493 PolarHBondContact O-N 3.45Å; R491-Q494 PolarHBondContact O-N 2.99Å; R491-L495 WeakPolarHBondContact O-CG 3.46Å; R491-L495 PolarHBondContact O-N 3.45Å; R491-L495 VanDerWaalsContact O-N 3.12Å |
| 492 | C | 87.2 | Confident | 79.4 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62 | -41.2 | 174.4 | -172.1 | 0 | 0 | 0 | 0 | 110 | C477 L480 Y488 G489 Q494 L495 L496 W537 | C477-C492 VanDerWaalsContact SG-SG 3.63Å; L480-C492 HydrophobicContact CB-CB 4.44Å; L480-C492 HydrophobicContact CD1-CB 4.1Å; Y488-C492 PolarHBondContact O-N 3.01Å; G489-C492 WeakPolarHBondContact O-CB 3.18Å; G489-C492 PolarHBondContact O-N 2.84Å; G489-C492 VanDerWaalsContact O-N 3.13Å; C492-Q494 PolarHBondContact O-N 3.36Å; C492-L495 PolarHBondContact O-N 2.67Å; C492-L496 WeakPolarHBondContact O-CB 3.36Å; C492-L496 VanDerWaalsContact O-CG 3.29Å; C492-L496 WeakPolarHBondContact O-CG 3.32Å; C492-L496 PolarHBondContact O-N 2.82Å; C492-W537 HydrophobicContact CB-CH2 4.17Å; C492-W537 HydrophobicContact CB-CZ3 3.97Å |
| 493 | L | 86.7 | Confident | 79.7 | Confident | 32 Ų | 32 | 45.6 Ų | 45.6 | 17% | 0.168 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62.2 | -43.3 | 176.7 | -179.8 | 60.7 | 0 | 0 | 0 | 111.6 | G489 C490 R491 L495 L496 T497 M539 C540 T543 | G489-L493 PolarHBondContact O-N 3.46Å; C490-L493 WeakPolarHBondContact O-CB 3.23Å; C490-L493 PolarHBondContact O-N 3.42Å; R491-L493 VanDerWaalsContact C-N 3.27Å; R491-L493 PolarHBondContact O-N 3.45Å; L493-L495 PolarHBondContact O-N 2.65Å; L493-L496 PolarHBondContact O-N 3.43Å; L493-T497 WeakPolarHBondContact O-CB 3.42Å; L493-T497 PolarHBondContact O-N 3.35Å; L493-T497 PolarHBondContact O-OG1 2.91Å; L493-M539 HydrophobicContact CD1-CB 3.91Å; L493-M539 HydrophobicContact CD2-CB 3.84Å; L493-C540 VanDerWaalsContact CA-SG 3.59Å; L493-C540 PolarHBondContact N-SG 3.42Å; L493-T543 WeakPolarHBondContact CD1-OG1 3.48Å |
| 494 | Q | 86.7 | Confident | 79.9 | Confident | 23 Ų | 23 | 41.8 Ų | 41.8 | 11% | 0.107 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -60.3 | -46.1 | 177.2 | -72.7 | 171.1 | -18.6 | 0 | 0 | 112.1 | V444 C490 R491 C492 T497 L498 | V444-Q494 PolarHBondContact O-NE2 3.01Å; C490-Q494 WeakPolarHBondContact O-CG 3.41Å; C490-Q494 PolarHBondContact O-N 3.17Å; R491-Q494 PolarHBondContact O-N 2.99Å; C492-Q494 PolarHBondContact O-N 3.36Å; Q494-T497 PolarHBondContact O-N 2.83Å; Q494-L498 WeakPolarHBondContact O-CG 3.22Å; Q494-L498 PolarHBondContact O-N 3.43Å |
| 495 | L | 90.1 | Very high | 80.6 | Confident | 1 Ų | 1 | 35.1 Ų | 35.1 | 1% | 0.005 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -61.7 | -46.1 | 175.3 | -71.7 | 173.6 | 0 | 0 | 0 | 112.1 | A434 L437 K476 L480 R491 C492 L493 T497 L498 F499 | A434-L495 HydrophobicContact CB-CD2 3.46Å; A434-L495 VanDerWaalsContact CB-CD2 3.46Å; L437-L495 HydrophobicContact CD1-CD2 3.75Å; L437-L495 HydrophobicContact CD1-CG 4.22Å; K476-L495 HydrophobicContact CB-CD1 3.95Å; L480-L495 HydrophobicContact CD1-CD1 3.81Å; R491-L495 WeakPolarHBondContact O-CG 3.46Å; R491-L495 PolarHBondContact O-N 3.45Å; R491-L495 VanDerWaalsContact O-N 3.12Å; C492-L495 PolarHBondContact O-N 2.67Å; L493-L495 PolarHBondContact O-N 2.65Å; L495-T497 VanDerWaalsContact C-N 3.33Å; L495-T497 PolarHBondContact O-N 2.94Å; L495-L498 PolarHBondContact O-N 3.27Å; L495-F499 WeakPolarHBondContact O-CB 3.26Å; L495-F499 PolarHBondContact O-N 3.43Å |
| 496 | L | 90.2 | Very high | 81.4 | Confident | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -66.7 | -34.6 | 179.1 | -71.6 | 172.5 | 0 | 0 | 0 | 112.2 | T473 C492 L493 F499 D500 L527 C540 T543 M544 | T473-L496 HydrophobicContact CG2-CD2 4.12Å; C492-L496 WeakPolarHBondContact O-CB 3.36Å; C492-L496 VanDerWaalsContact O-CG 3.29Å; C492-L496 WeakPolarHBondContact O-CG 3.32Å; C492-L496 PolarHBondContact O-N 2.82Å; L493-L496 PolarHBondContact O-N 3.43Å; L496-F499 PolarHBondContact O-N 2.86Å; L496-D500 WeakPolarHBondContact O-CB 3.14Å; L496-D500 PolarHBondContact O-N 3.27Å; L496-L527 HydrophobicContact CD1-CD1 4.26Å; L496-L527 HydrophobicContact CD1-CD2 4.48Å; L496-C540 HydrophobicContact CD1-CB 3.71Å; L496-C540 WeakPolarHBondContact CD1-O 3.35Å; L496-T543 HydrophobicContact CB-CG2 3.99Å; L496-M544 HydrophobicContact CD2-SD 4Å |
| 497 | T | 87.6 | Confident | 81.8 | Confident | 39 Ų | 39 | 34.5 Ų | 34.5 | 24% | 0.239 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -69.5 | -42.6 | 176.6 | -53.4 | 0 | 0 | 0 | 0 | 110.8 | Y451 L493 Q494 L495 F499 D500 V501 | Y451-T497 HydrophobicContact CD1-CG2 4.07Å; Y451-T497 HydrophobicContact CE1-CG2 3.51Å; L493-T497 WeakPolarHBondContact O-CB 3.42Å; L493-T497 PolarHBondContact O-N 3.35Å; L493-T497 PolarHBondContact O-OG1 2.91Å; Q494-T497 PolarHBondContact O-N 2.83Å; L495-T497 VanDerWaalsContact C-N 3.33Å; L495-T497 PolarHBondContact O-N 2.94Å; T497-F499 VanDerWaalsContact C-N 3.31Å; T497-F499 PolarHBondContact O-N 2.97Å; T497-D500 PolarHBondContact O-N 3.28Å; T497-V501 WeakPolarHBondContact O-CG2 3.4Å; T497-V501 PolarHBondContact O-N 3.15Å; T497-V501 VanDerWaalsContact O-N 3.09Å |
| 498 | L | 88.5 | Confident | 81.8 | Confident | 1 Ų | 1 | 26 Ų | 26 | 1% | 0.005 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -60.7 | -43.6 | 172.9 | -76 | 167.4 | 0 | 0 | 0 | 110.8 | F430 Y433 L437 V446 Y451 F454 Q494 L495 V501 I502 | F430-L498 HydrophobicContact CE2-CB 3.96Å; Y433-L498 HydrophobicContact CD1-CD1 3.94Å; Y433-L498 HydrophobicContact CE1-CD1 3.85Å; L437-L498 HydrophobicContact CD1-CD1 4.31Å; V446-L498 HydrophobicContact CG1-CD2 4.36Å; Y451-L498 HydrophobicContact CD1-CD2 3.66Å; Y451-L498 HydrophobicContact CD1-CG 4.15Å; Y451-L498 HydrophobicContact CE1-CD2 3.71Å; Y451-L498 HydrophobicContact CE1-CG 3.72Å; F454-L498 HydrophobicContact CD2-CD2 3.48Å; F454-L498 VanDerWaalsContact CD2-CD2 3.48Å; F454-L498 HydrophobicContact CE2-CD2 3.79Å; F454-L498 HydrophobicContact CG-CD2 4.19Å; Q494-L498 WeakPolarHBondContact O-CG 3.22Å; Q494-L498 PolarHBondContact O-N 3.43Å; L495-L498 PolarHBondContact O-N 3.27Å; L498-V501 PolarHBondContact O-N 2.96Å; L498-I502 VanDerWaalsContact O-CG1 3.29Å; L498-I502 WeakPolarHBondContact O-CG1 3.46Å; L498-I502 PolarHBondContact O-N 3.27Å |
| 499 | F | 90.5 | Very high | 81.2 | Confident | 5 Ų | 5 | 23.6 Ų | 23.6 | 2% | 0.022 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -61.6 | -45.1 | 175.4 | 176.3 | -114.2 | 0 | 0 | 0 | 112.7 | M466 I469 I470 T473 L495 L496 T497 V501 I502 S503 M514 M544 T547 | M466-F499 HydrophobicContact CE-CD2 4.48Å; M466-F499 HydrophobicContact CE-CE2 3.71Å; M466-F499 HydrophobicContact CE-CZ 4.38Å; I469-F499 HydrophobicContact CG2-CD2 4.07Å; I470-F499 HydrophobicContact CB-CE2 4.42Å; I470-F499 HydrophobicContact CG1-CE2 3.6Å; I470-F499 HydrophobicContact CG1-CZ 3.91Å; T473-F499 HydrophobicContact CG2-CB 3.74Å; T473-F499 HydrophobicContact CG2-CD1 4.25Å; T473-F499 HydrophobicContact CG2-CD2 4.38Å; T473-F499 HydrophobicContact CG2-CG 3.86Å; L495-F499 WeakPolarHBondContact O-CB 3.26Å; L495-F499 PolarHBondContact O-N 3.43Å; L496-F499 PolarHBondContact O-N 2.86Å; T497-F499 VanDerWaalsContact C-N 3.31Å; T497-F499 PolarHBondContact O-N 2.97Å; F499-V501 VanDerWaalsContact C-N 3.34Å; F499-V501 PolarHBondContact O-N 3.28Å; F499-I502 PolarHBondContact O-N 3.2Å; F499-S503 WeakPolarHBondContact O-CB 3.49Å; F499-S503 PolarHBondContact O-N 3.32Å; F499-S503 PolarHBondContact O-OG 2.91Å; F499-M514 HydrophobicContact CE1-SD 4.22Å; F499-M514 HydrophobicContact CZ-SD 4.04Å; F499-M544 HydrophobicContact CE1-SD 4.5Å; F499-T547 HydrophobicContact CD1-CG2 3.97Å; F499-T547 HydrophobicContact CE1-CG2 3.58Å; F499-T547 HydrophobicContact CZ-CG2 4.39Å |
| 500 | D | 85.9 | Confident | 80.8 | Confident | 10 Ų | 10 | 25.3 Ų | 25.3 | 5% | 0.053 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -55.9 | -49.8 | 177.2 | -173.6 | 53.9 | 0 | 0 | 0 | 110.7 | L496 T497 I502 S503 A504 T543 K546 T547 | L496-D500 WeakPolarHBondContact O-CB 3.14Å; L496-D500 PolarHBondContact O-N 3.27Å; T497-D500 PolarHBondContact O-N 3.28Å; D500-I502 PolarHBondContact O-N 2.88Å; D500-S503 PolarHBondContact O-N 2.87Å; D500-S503 PolarHBondContact O-OG 3.17Å; D500-A504 VanDerWaalsContact O-CB 3.24Å; D500-A504 WeakPolarHBondContact O-CB 3.43Å; D500-A504 PolarHBondContact O-N 3.04Å; D500-T543 HydrophobicContact CB-CG2 4.21Å; D500-K546 IonicContact OD2-NZ 3.31Å; D500-K546 PolarHBondContact OD2-NZ 2.91Å; D500-T547 WeakPolarHBondContact CB-OG1 3.23Å; D500-T547 WeakPolarHBondContact OD1-CA 3.49Å; D500-T547 PolarHBondContact OD1-OG1 3.36Å |
| 501 | V | 82.2 | Confident | 80.4 | Confident | 26 Ų | 26 | 23.9 Ų | 23.9 | 16% | 0.158 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -63.2 | -43.1 | -179.1 | 173.5 | 0 | 0 | 0 | 0 | 112.3 | Y451 Q455 T497 L498 F499 S505 | Y451-V501 HydrophobicContact CD1-CG2 4.25Å; Y451-V501 VanDerWaalsContact O-CG1 3.3Å; Y451-V501 WeakPolarHBondContact O-CG1 3.49Å; Q455-V501 HydrophobicContact CB-CG1 3.42Å; Q455-V501 VanDerWaalsContact CB-CG1 3.42Å; Q455-V501 HydrophobicContact CG-CG1 3.71Å; T497-V501 WeakPolarHBondContact O-CG2 3.4Å; T497-V501 PolarHBondContact O-N 3.15Å; T497-V501 VanDerWaalsContact O-N 3.09Å; L498-V501 PolarHBondContact O-N 2.96Å; F499-V501 VanDerWaalsContact C-N 3.34Å; F499-V501 PolarHBondContact O-N 3.28Å; V501-S505 PolarHBondContact O-OG 3.38Å |
| 502 | I | 85.2 | Confident | 79.8 | Confident | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -65 | -48.7 | 176 | -70 | 170 | 0 | 0 | 0 | 110.2 | F430 F454 A458 L461 M466 I469 L498 F499 D500 A504 S505 C506 | F430-I502 HydrophobicContact CD2-CD1 3.39Å; F430-I502 HydrophobicContact CE2-CD1 3.59Å; F430-I502 HydrophobicContact CG-CD1 4.4Å; F454-I502 HydrophobicContact CB-CD1 4.4Å; F454-I502 HydrophobicContact CB-CG1 4.05Å; F454-I502 HydrophobicContact CD1-CD1 3.75Å; F454-I502 HydrophobicContact CD1-CG1 4.24Å; F454-I502 HydrophobicContact CE1-CD1 4.39Å; F454-I502 HydrophobicContact CG-CD1 4.31Å; F454-I502 HydrophobicContact CG-CG1 4.49Å; A458-I502 HydrophobicContact CB-CB 4.18Å; A458-I502 HydrophobicContact CB-CG1 4.27Å; A458-I502 HydrophobicContact CB-CG2 3.82Å; L461-I502 HydrophobicContact CD1-CG2 3.76Å; M466-I502 HydrophobicContact SD-CG2 4.11Å; I469-I502 HydrophobicContact CD1-CG2 4.05Å; I469-I502 HydrophobicContact CG2-CD1 4.5Å; I469-I502 HydrophobicContact CG2-CG2 4.37Å; L498-I502 VanDerWaalsContact O-CG1 3.29Å; L498-I502 WeakPolarHBondContact O-CG1 3.46Å; L498-I502 PolarHBondContact O-N 3.27Å; F499-I502 PolarHBondContact O-N 3.2Å; D500-I502 PolarHBondContact O-N 2.88Å; I502-A504 PolarHBondContact O-N 3.19Å; I502-S505 PolarHBondContact O-N 3.21Å; I502-C506 WeakPolarHBondContact O-CB 3.3Å; I502-C506 PolarHBondContact O-N 2.89Å; I502-C506 VanDerWaalsContact O-N 3.09Å |
| 503 | S | 81 | Confident | 79 | Confident | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -65 | -39.8 | -175.8 | 79.2 | 0 | 0 | 0 | 0 | 112.1 | F499 D500 S505 S509 T547 Q551 | F499-S503 WeakPolarHBondContact O-CB 3.49Å; F499-S503 PolarHBondContact O-N 3.32Å; F499-S503 PolarHBondContact O-OG 2.91Å; D500-S503 PolarHBondContact O-N 2.87Å; D500-S503 PolarHBondContact O-OG 3.17Å; S503-S505 PolarHBondContact O-N 3.29Å; S503-S509 PolarHBondContact O-OG 3.23Å; S503-T547 VanDerWaalsContact OG-CG2 3.3Å; S503-T547 WeakPolarHBondContact OG-CG2 3.29Å; S503-Q551 PolarHBondContact O-NE2 2.79Å |
| 504 | A | 71.7 | Confident | 78.5 | Confident | 54 Ų | 54 | 26.1 Ų | 26.1 | 45% | 0.446 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -67.3 | -20 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | D500 I502 | D500-A504 VanDerWaalsContact O-CB 3.24Å; D500-A504 WeakPolarHBondContact O-CB 3.43Å; D500-A504 PolarHBondContact O-N 3.04Å; I502-A504 PolarHBondContact O-N 3.19Å |
| 505 | S | 73.4 | Confident | 78 | Confident | 22 Ų | 22 | 25.7 Ų | 25.7 | 15% | 0.154 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -103 | -21.3 | -175.2 | -50.9 | 0 | 0 | 0 | 0 | 113.2 | Q455 V501 I502 S503 Q507 | Q455-S505 WeakPolarHBondContact CG-OG 3.17Å; Q455-S505 WeakPolarHBondContact O-CB 3.22Å; V501-S505 PolarHBondContact O-OG 3.38Å; I502-S505 PolarHBondContact O-N 3.21Å; S503-S505 PolarHBondContact O-N 3.29Å; S505-Q507 PolarHBondContact O-N 2.91Å |
| 506 | C | 74 | Confident | 77.2 | Confident | 7 Ų | 7 | 31.4 Ų | 31.4 | 5% | 0.047 | 17% | 0.172 | C | C | . | . | trans | -78.2 | 120.1 | -175.5 | -177.4 | 0 | 0 | 0 | 0 | 111 | M466 I502 S508 S509 | M466-C506 HydrophobicContact SD-CB 4.29Å; I502-C506 WeakPolarHBondContact O-CB 3.3Å; I502-C506 PolarHBondContact O-N 2.89Å; I502-C506 VanDerWaalsContact O-N 3.09Å; C506-S508 PolarHBondContact O-N 3.28Å; C506-S508 PolarHBondContact SG-OG 3.33Å; C506-S509 PolarHBondContact O-N 2.87Å; C506-S509 PolarHBondContact O-OG 3.48Å; C506-S509 VanDerWaalsContact O-OG 3.07Å | ||
| 507 | Q | 68.6 | Low | 76.4 | Confident | 159 Ų | 159 | 33.3 Ų | 33.3 | 74% | 0.743 | 18% | 0.18 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | -19.8 | 177.6 | -63.4 | -177.6 | 6.1 | 0 | 0 | 113.4 | S505 | S505-Q507 PolarHBondContact O-N 2.91Š|
| 508 | S | 65.8 | Low | 75.2 | Confident | 37 Ų | 37 | 35.8 Ų | 35.8 | 26% | 0.259 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.4 | 0.9 | -178.2 | 70.3 | 0 | 0 | 0 | 0 | 113.6 | L461 Q463 C506 S510 | L461-S508 WeakPolarHBondContact O-CB 3.42Å; L461-S508 PolarHBondContact O-OG 3.32Å; Q463-S508 PolarHBondContact N-OG 3.21Å; C506-S508 PolarHBondContact O-N 3.28Å; C506-S508 PolarHBondContact SG-OG 3.33Å; S508-S510 PolarHBondContact O-N 2.9Å |
| 509 | S | 66.3 | Low | 74.8 | Confident | 14 Ų | 14 | 39.2 Ų | 39.2 | 10% | 0.098 | 22% | 0.218 | C | C | . | . | trans | -72.9 | 120.8 | 177.5 | 69 | 0 | 0 | 0 | 0 | 110.5 | S503 C506 Q551 | S503-S509 PolarHBondContact O-OG 3.23Å; C506-S509 PolarHBondContact O-N 2.87Å; C506-S509 PolarHBondContact O-OG 3.48Å; C506-S509 VanDerWaalsContact O-OG 3.07Å; S509-Q551 VanDerWaalsContact CB-OE1 3.23Å; S509-Q551 PolarHBondContact O-OE1 3.23Å; S509-Q551 PolarHBondContact OG-NE2 3.33Å; S509-Q551 PolarHBondContact OG-OE1 2.91Å | ||
| 510 | S | 70.4 | Confident | 74.5 | Confident | 36 Ų | 36 | 39 Ų | 39 | 25% | 0.252 | 22% | 0.217 | S | C | . | . | trans | -120.4 | 146.6 | 171 | 80.3 | 0 | 0 | 0 | 0 | 110.4 | S508 E512 D513 M514 | S508-S510 PolarHBondContact O-N 2.9Å; S510-E512 PolarHBondContact O-N 3.03Å; S510-D513 PolarHBondContact O-N 3.28Å; S510-D513 WeakPolarHBondContact OG-CB 3.49Å; S510-D513 PolarHBondContact OG-N 2.95Å; S510-D513 VanDerWaalsContact OG-N 3.1Å; S510-D513 PolarHBondContact OG-OD2 3.36Å; S510-M514 PolarHBondContact O-N 3.14Å | ||
| 511 | L | 73 | Confident | 74.4 | Confident | 4 Ų | 4 | 42.2 Ų | 42.2 | 2% | 0.021 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -59.9 | -37 | 175.4 | -164 | 79.9 | 0 | 0 | 0 | 111.6 | M514 F515 Q551 C552 V561 D565 V569 | L511-M514 HydrophobicContact CD1-CE 3.55Å; L511-M514 HydrophobicContact CG-CE 4.45Å; L511-M514 WeakPolarHBondContact O-CB 3.5Å; L511-M514 PolarHBondContact O-N 3.12Å; L511-F515 HydrophobicContact CD1-CD2 4.37Å; L511-F515 HydrophobicContact CD1-CE2 3.84Å; L511-F515 HydrophobicContact CD2-CD2 4.21Å; L511-F515 HydrophobicContact CD2-CE2 3.89Å; L511-F515 HydrophobicContact CG-CD2 3.78Å; L511-F515 HydrophobicContact CG-CE2 3.63Å; L511-F515 WeakPolarHBondContact O-CD2 3.22Å; L511-F515 PolarHBondContact O-N 2.93Å; L511-Q551 HydrophobicContact CD1-CB 3.75Å; L511-C552 WeakPolarHBondContact CD2-SG 3.25Å; L511-V561 HydrophobicContact CB-CG2 4.36Å; L511-V561 HydrophobicContact CD2-CB 4.49Å; L511-V561 HydrophobicContact CD2-CG1 3.42Å; L511-V561 VanDerWaalsContact CD2-CG1 3.42Å; L511-V561 HydrophobicContact CD2-CG2 4.14Å; L511-D565 HydrophobicContact CD2-CB 4.02Å; L511-V569 HydrophobicContact CD2-CG2 4.31Å |
| 512 | E | 70.4 | Confident | 74.5 | Confident | 94 Ų | 94 | 43.6 Ų | 43.6 | 44% | 0.439 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -61.8 | -43.5 | 178.2 | -162.4 | -164.2 | 135.9 | 0 | 0 | 111.2 | S510 M514 F515 K516 | S510-E512 PolarHBondContact O-N 3.03Å; E512-M514 VanDerWaalsContact C-N 3.28Å; E512-M514 PolarHBondContact O-N 3.32Å; E512-F515 PolarHBondContact O-N 2.85Å; E512-K516 VanDerWaalsContact O-CG 3.28Å; E512-K516 WeakPolarHBondContact O-CG 3.2Å; E512-K516 PolarHBondContact O-N 3.41Å; E512-K516 WeakPolarHBondContact OE1-CE 3.41Å; E512-K516 IonicContact OE1-NZ 2.72Å; E512-K516 PolarHBondContact OE1-NZ 3.34Å |
| 513 | D | 69.9 | Low | 74.6 | Confident | 14 Ų | 14 | 43.6 Ų | 43.6 | 8% | 0.075 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -67.7 | -30.1 | 178.9 | -65.4 | -34.3 | 0 | 0 | 0 | 113.1 | Q463 S510 K516 F517 | Q463-D513 WeakPolarHBondContact CG-OD2 3.31Å; Q463-D513 PolarHBondContact NE2-OD1 2.86Å; Q463-D513 VanDerWaalsContact NE2-OD1 3.07Å; Q463-D513 PolarHBondContact NE2-OD2 2.79Å; S510-D513 PolarHBondContact O-N 3.28Å; S510-D513 WeakPolarHBondContact OG-CB 3.49Å; S510-D513 PolarHBondContact OG-N 2.95Å; S510-D513 VanDerWaalsContact OG-N 3.1Å; S510-D513 PolarHBondContact OG-OD2 3.36Å; D513-K516 IonicContact OD1-NZ 3.13Å; D513-K516 PolarHBondContact OD1-NZ 3.17Å; D513-F517 VanDerWaalsContact O-CD2 3.29Å; D513-F517 WeakPolarHBondContact O-CD2 3.42Å; D513-F517 WeakPolarHBondContact O-CE2 3.36Å |
| 514 | M | 77.7 | Confident | 75 | Confident | 3 Ų | 3 | 43.9 Ų | 43.9 | 2% | 0.015 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -67.6 | -57 | 170.7 | -169.8 | 169.9 | 53.3 | 0 | 0 | 109.5 | I470 F499 S510 L511 E512 K516 F517 I520 M544 L548 Q551 | I470-M514 HydrophobicContact CD1-CB 4.29Å; I470-M514 HydrophobicContact CG2-CG 4.25Å; F499-M514 HydrophobicContact CE1-SD 4.22Å; F499-M514 HydrophobicContact CZ-SD 4.04Å; S510-M514 PolarHBondContact O-N 3.14Å; L511-M514 HydrophobicContact CD1-CE 3.55Å; L511-M514 HydrophobicContact CG-CE 4.45Å; L511-M514 WeakPolarHBondContact O-CB 3.5Å; L511-M514 PolarHBondContact O-N 3.12Å; E512-M514 VanDerWaalsContact C-N 3.28Å; E512-M514 PolarHBondContact O-N 3.32Å; M514-K516 PolarHBondContact O-N 2.94Å; M514-K516 VanDerWaalsContact O-N 3.11Å; M514-F517 WeakPolarHBondContact O-CD2 3.45Å; M514-F517 PolarHBondContact O-N 3.34Å; M514-I520 HydrophobicContact CB-CD1 4.27Å; M514-I520 HydrophobicContact CG-CD1 3.41Å; M514-I520 VanDerWaalsContact CG-CD1 3.41Å; M514-I520 WeakPolarHBondContact O-CD1 3.4Å; M514-M544 HydrophobicContact SD-CE 4.25Å; M514-L548 HydrophobicContact CE-CD2 3.16Å; M514-L548 HydrophobicContact CE-CG 4.45Å; M514-L548 HydrophobicContact SD-CD2 3.96Å; M514-Q551 HydrophobicContact CE-CB 4.46Å; M514-Q551 HydrophobicContact CE-CG 4.42Å |
| 515 | F | 76.2 | Confident | 75.6 | Confident | 13 Ų | 13 | 45.9 Ų | 45.9 | 6% | 0.057 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -67.2 | -15.7 | -176.6 | -76.2 | -65 | 0 | 0 | 0 | 116 | L511 E512 F517 I520 L524 L548 D565 N568 V569 | L511-F515 HydrophobicContact CD1-CD2 4.37Å; L511-F515 HydrophobicContact CD1-CE2 3.84Å; L511-F515 HydrophobicContact CD2-CD2 4.21Å; L511-F515 HydrophobicContact CD2-CE2 3.89Å; L511-F515 HydrophobicContact CG-CD2 3.78Å; L511-F515 HydrophobicContact CG-CE2 3.63Å; L511-F515 WeakPolarHBondContact O-CD2 3.22Å; L511-F515 PolarHBondContact O-N 2.93Å; E512-F515 PolarHBondContact O-N 2.85Å; F515-F517 PolarHBondContact O-N 2.75Å; F515-F517 VanDerWaalsContact O-N 3.16Å; F515-I520 HydrophobicContact CD1-CG2 4.07Å; F515-I520 HydrophobicContact CE1-CG2 4.07Å; F515-L524 HydrophobicContact CE1-CD1 3.87Å; F515-L524 HydrophobicContact CZ-CD1 4.44Å; F515-L548 HydrophobicContact CE2-CD2 4.41Å; F515-L548 HydrophobicContact CZ-CD2 3.94Å; F515-D565 VanDerWaalsContact CB-OD1 3.25Å; F515-D565 WeakPolarHBondContact CB-OD1 3.41Å; F515-D565 HydrophobicContact CD2-CB 3.77Å; F515-D565 HydrophobicContact CE2-CB 4.28Å; F515-D565 HydrophobicContact CG-CB 4.49Å; F515-N568 HydrophobicContact CD1-CB 4.05Å; F515-N568 HydrophobicContact CE1-CB 3.63Å; F515-N568 HydrophobicContact CZ-CB 3.99Å; F515-V569 HydrophobicContact CE2-CG2 3.55Å; F515-V569 HydrophobicContact CZ-CG2 3.48Å; F515-V569 VanDerWaalsContact CZ-CG2 3.48Å |
| 516 | K | 73.8 | Confident | 76.2 | Confident | 121 Ų | 121 | 46.5 Ų | 46.5 | 53% | 0.526 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -22.2 | 171.6 | -84.3 | 171.6 | -168.9 | 152.8 | 0 | 113.8 | E512 D513 M514 | E512-K516 VanDerWaalsContact O-CG 3.28Å; E512-K516 WeakPolarHBondContact O-CG 3.2Å; E512-K516 PolarHBondContact O-N 3.41Å; E512-K516 WeakPolarHBondContact OE1-CE 3.41Å; E512-K516 IonicContact OE1-NZ 2.72Å; E512-K516 PolarHBondContact OE1-NZ 3.34Å; D513-K516 IonicContact OD1-NZ 3.13Å; D513-K516 PolarHBondContact OD1-NZ 3.17Å; M514-K516 PolarHBondContact O-N 2.94Å; M514-K516 VanDerWaalsContact O-N 3.11Å |
| 517 | F | 72.2 | Confident | 76.9 | Confident | 41 Ų | 41 | 46.2 Ų | 46.2 | 18% | 0.18 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -86.4 | 119.2 | 176.4 | -54.4 | -71.9 | 0 | 0 | 0 | 111.1 | I470 N471 D513 M514 F515 D519 I520 | I470-F517 HydrophobicContact CB-CD2 4.43Å; I470-F517 HydrophobicContact CB-CE2 4.2Å; I470-F517 HydrophobicContact CG2-CD2 3.64Å; I470-F517 HydrophobicContact CG2-CE2 3.89Å; N471-F517 WeakPolarHBondContact ND2-CE1 3.48Å; N471-F517 WeakPolarHBondContact OD1-CD1 3.5Å; N471-F517 VanDerWaalsContact OD1-CE1 3.24Å; N471-F517 WeakPolarHBondContact OD1-CE1 3.4Å; N471-F517 WeakPolarHBondContact OD1-CG 3.34Å; D513-F517 VanDerWaalsContact O-CD2 3.29Å; D513-F517 WeakPolarHBondContact O-CD2 3.42Å; D513-F517 WeakPolarHBondContact O-CE2 3.36Å; M514-F517 WeakPolarHBondContact O-CD2 3.45Å; M514-F517 PolarHBondContact O-N 3.34Å; F515-F517 PolarHBondContact O-N 2.75Å; F515-F517 VanDerWaalsContact O-N 3.16Å; F517-D519 PolarHBondContact O-N 2.91Å; F517-I520 HydrophobicContact CB-CD1 4.15Å; F517-I520 HydrophobicContact CD2-CD1 4.21Å; F517-I520 PolarHBondContact O-N 3.34Å; F517-I520 VanDerWaalsContact O-N 3.13Å |
| 518 | S | 63.3 | Low | 77.8 | Confident | 91 Ų | 91 | 39.3 Ų | 39.3 | 64% | 0.636 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -50.6 | -33.2 | 178.6 | 51 | 0 | 0 | 0 | 0 | 113.3 | I520 | S518-I520 VanDerWaalsContact C-N 3.33Å; S518-I520 PolarHBondContact O-N 3.46Å |
| 519 | D | 80.1 | Confident | 78.7 | Confident | 73 Ų | 73 | 44.6 Ų | 44.6 | 39% | 0.39 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -77.7 | -18.1 | -171.2 | -62.5 | -8.6 | 0 | 0 | 0 | 112.9 | V474 L478 F517 K521 S522 L523 | V474-D519 HydrophobicContact CG1-CB 3.63Å; V474-D519 WeakPolarHBondContact CG1-O 3.37Å; L478-D519 HydrophobicContact CD1-CB 3.85Å; F517-D519 PolarHBondContact O-N 2.91Å; D519-K521 VanDerWaalsContact C-N 3.35Å; D519-K521 PolarHBondContact O-N 2.97Å; D519-S522 WeakPolarHBondContact O-CB 3.23Å; D519-S522 PolarHBondContact O-N 3.33Å; D519-L523 PolarHBondContact O-N 3.47Å |
| 520 | I | 84.5 | Confident | 79.6 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -65.4 | -40.9 | 176.2 | -81.3 | 162.1 | 0 | 0 | 0 | 111.1 | I470 V474 M514 F515 F517 S518 S522 L523 L524 | I470-I520 HydrophobicContact CG2-CD1 3.56Å; V474-I520 HydrophobicContact CB-CG1 4.25Å; V474-I520 HydrophobicContact CG1-CG1 4Å; V474-I520 HydrophobicContact CG2-CD1 3.86Å; V474-I520 HydrophobicContact CG2-CG1 3.27Å; M514-I520 HydrophobicContact CB-CD1 4.27Å; M514-I520 HydrophobicContact CG-CD1 3.41Å; M514-I520 VanDerWaalsContact CG-CD1 3.41Å; M514-I520 WeakPolarHBondContact O-CD1 3.4Å; F515-I520 HydrophobicContact CD1-CG2 4.07Å; F515-I520 HydrophobicContact CE1-CG2 4.07Å; F517-I520 HydrophobicContact CB-CD1 4.15Å; F517-I520 HydrophobicContact CD2-CD1 4.21Å; F517-I520 PolarHBondContact O-N 3.34Å; F517-I520 VanDerWaalsContact O-N 3.13Å; S518-I520 VanDerWaalsContact C-N 3.33Å; S518-I520 PolarHBondContact O-N 3.46Å; I520-S522 VanDerWaalsContact C-N 3.28Å; I520-S522 PolarHBondContact O-N 2.9Å; I520-L523 PolarHBondContact O-N 3.42Å; I520-L523 VanDerWaalsContact O-N 3.1Å; I520-L524 HydrophobicContact CG2-CD1 3.98Å; I520-L524 HydrophobicContact CG2-CG 4.16Å; I520-L524 VanDerWaalsContact O-CG 3.28Å; I520-L524 WeakPolarHBondContact O-CG 3.42Å; I520-L524 PolarHBondContact O-N 3.41Å |
| 521 | K | 82.1 | Confident | 80.3 | Confident | 77 Ų | 77 | 42.3 Ų | 42.3 | 34% | 0.335 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -60 | -44.2 | 177.1 | -63.9 | -174.3 | -177.2 | -175.3 | 0 | 110.2 | D519 L523 L524 D525 E564 N568 | D519-K521 VanDerWaalsContact C-N 3.35Å; D519-K521 PolarHBondContact O-N 2.97Å; K521-L523 VanDerWaalsContact C-N 3.33Å; K521-L523 PolarHBondContact O-N 3.28Å; K521-L524 PolarHBondContact O-N 2.96Å; K521-D525 PolarHBondContact O-N 3.44Å; K521-E564 IonicContact NZ-OE1 3.98Å; K521-E564 PolarHBondContact NZ-OE1 3.35Å; K521-N568 WeakPolarHBondContact CE-ND2 3.41Å |
| 522 | S | 84.2 | Confident | 80.6 | Confident | 56 Ų | 56 | 46.4 Ų | 46.4 | 39% | 0.392 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -59.4 | -41.4 | 173.9 | -55.2 | 0 | 0 | 0 | 0 | 112.5 | D519 I520 D525 L526 | D519-S522 WeakPolarHBondContact O-CB 3.23Å; D519-S522 PolarHBondContact O-N 3.33Å; I520-S522 VanDerWaalsContact C-N 3.28Å; I520-S522 PolarHBondContact O-N 2.9Å; S522-D525 PolarHBondContact O-N 2.9Å; S522-L526 WeakPolarHBondContact O-CB 3.38Å; S522-L526 PolarHBondContact O-N 2.96Å |
| 523 | L | 88.5 | Confident | 81.1 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -66 | -45.6 | 178.4 | 176.9 | 65.6 | 0 | 0 | 0 | 111.5 | V474 C477 L478 D519 I520 K521 D525 L526 L527 | V474-L523 HydrophobicContact CB-CD2 4.41Å; V474-L523 HydrophobicContact CG1-CB 4.25Å; V474-L523 HydrophobicContact CG1-CD2 4.38Å; V474-L523 HydrophobicContact CG2-CD2 4.12Å; C477-L523 HydrophobicContact CB-CD1 3.62Å; C477-L523 HydrophobicContact CB-CD2 4.16Å; L478-L523 HydrophobicContact CD2-CB 3.94Å; L478-L523 HydrophobicContact CD2-CD1 4.28Å; L478-L523 HydrophobicContact CG-CB 4.09Å; L478-L523 HydrophobicContact CG-CD1 4.26Å; D519-L523 PolarHBondContact O-N 3.47Å; I520-L523 PolarHBondContact O-N 3.42Å; I520-L523 VanDerWaalsContact O-N 3.1Å; K521-L523 VanDerWaalsContact C-N 3.33Å; K521-L523 PolarHBondContact O-N 3.28Å; L523-D525 VanDerWaalsContact C-N 3.32Å; L523-D525 PolarHBondContact O-N 3.21Å; L523-L526 PolarHBondContact O-N 3.3Å; L523-L527 HydrophobicContact CD1-CD1 4.12Å; L523-L527 HydrophobicContact CD1-CD2 4.44Å; L523-L527 HydrophobicContact CD1-CG 3.93Å; L523-L527 HydrophobicContact CD2-CD1 4.43Å; L523-L527 HydrophobicContact CG-CD1 3.93Å; L523-L527 HydrophobicContact CG-CG 4.16Å; L523-L527 WeakPolarHBondContact O-CB 3.49Å; L523-L527 VanDerWaalsContact O-CG 3.32Å; L523-L527 WeakPolarHBondContact O-CG 3.41Å; L523-L527 PolarHBondContact O-N 2.83Å |
| 524 | L | 88.4 | Confident | 81.7 | Confident | 6 Ų | 6 | 47.6 Ų | 47.6 | 3% | 0.031 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -59.4 | -45.1 | 177.3 | -66.5 | -179.6 | 0 | 0 | 0 | 110.7 | F515 I520 K521 L526 L527 S528 M544 L548 Y572 | F515-L524 HydrophobicContact CE1-CD1 3.87Å; F515-L524 HydrophobicContact CZ-CD1 4.44Å; I520-L524 HydrophobicContact CG2-CD1 3.98Å; I520-L524 HydrophobicContact CG2-CG 4.16Å; I520-L524 VanDerWaalsContact O-CG 3.28Å; I520-L524 WeakPolarHBondContact O-CG 3.42Å; I520-L524 PolarHBondContact O-N 3.41Å; K521-L524 PolarHBondContact O-N 2.96Å; L524-L526 PolarHBondContact O-N 3.08Å; L524-L527 PolarHBondContact O-N 3.21Å; L524-S528 WeakPolarHBondContact O-CB 3.32Å; L524-S528 PolarHBondContact O-N 3Å; L524-M544 HydrophobicContact CD2-CE 3.9Å; L524-M544 HydrophobicContact CD2-CG 3.63Å; L524-L548 HydrophobicContact CD1-CD1 4.23Å; L524-L548 HydrophobicContact CD2-CD1 3.9Å; L524-Y572 HydrophobicContact CB-CD2 3.56Å; L524-Y572 HydrophobicContact CB-CE2 3.96Å; L524-Y572 HydrophobicContact CB-CG 4.04Å; L524-Y572 HydrophobicContact CD1-CG 4.34Å; L524-Y572 HydrophobicContact CD2-CD1 3.86Å; L524-Y572 HydrophobicContact CD2-CD2 3.91Å; L524-Y572 HydrophobicContact CD2-CE1 3.81Å; L524-Y572 HydrophobicContact CD2-CE2 3.87Å; L524-Y572 HydrophobicContact CD2-CG 3.88Å; L524-Y572 HydrophobicContact CG-CD2 4.21Å; L524-Y572 HydrophobicContact CG-CG 4.28Å; L524-Y572 WeakPolarHBondContact O-CD2 3.4Å; L524-Y572 WeakPolarHBondContact O-CE2 3.46Å |
| 525 | D | 85.5 | Confident | 81.8 | Confident | 96 Ų | 96 | 52.5 Ų | 52.5 | 51% | 0.513 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -61.1 | -43.3 | 176 | -75.9 | -14.7 | 0 | 0 | 0 | 112.3 | K521 S522 L523 K529 | K521-D525 PolarHBondContact O-N 3.44Å; S522-D525 PolarHBondContact O-N 2.9Å; L523-D525 VanDerWaalsContact C-N 3.32Å; L523-D525 PolarHBondContact O-N 3.21Å; D525-K529 WeakPolarHBondContact O-CG 3.35Å; D525-K529 PolarHBondContact O-N 3.4Å |
| 526 | L | 86.5 | Confident | 82.1 | Confident | 35 Ų | 35 | 54.7 Ų | 54.7 | 18% | 0.183 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -67.9 | -45.1 | 178.2 | -91.4 | 155 | 0 | 0 | 0 | 112.6 | L478 A481 D482 S522 L523 L524 S528 K529 N530 | L478-L526 HydrophobicContact CD2-CD1 3.37Å; A481-L526 HydrophobicContact CB-CB 4.08Å; A481-L526 HydrophobicContact CB-CD2 4.34Å; D482-L526 WeakPolarHBondContact OD1-CD1 3.32Å; D482-L526 WeakPolarHBondContact OD1-CD2 3.43Å; S522-L526 WeakPolarHBondContact O-CB 3.38Å; S522-L526 PolarHBondContact O-N 2.96Å; L523-L526 PolarHBondContact O-N 3.3Å; L524-L526 PolarHBondContact O-N 3.08Å; L526-S528 VanDerWaalsContact C-N 3.28Å; L526-S528 PolarHBondContact O-N 3.33Å; L526-K529 PolarHBondContact O-N 3.28Å; L526-K529 VanDerWaalsContact O-N 3.17Å; L526-N530 WeakPolarHBondContact O-CB 3.49Å; L526-N530 PolarHBondContact O-N 2.96Å |
| 527 | L | 88.5 | Confident | 82.7 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -59.7 | -41.9 | 175.4 | -73.7 | 178.3 | 0 | 0 | 0 | 110.7 | L496 L523 L524 N530 A531 W537 C540 M544 Y572 | L496-L527 HydrophobicContact CD1-CD1 4.26Å; L496-L527 HydrophobicContact CD1-CD2 4.48Å; L523-L527 HydrophobicContact CD1-CD1 4.12Å; L523-L527 HydrophobicContact CD1-CD2 4.44Å; L523-L527 HydrophobicContact CD1-CG 3.93Å; L523-L527 HydrophobicContact CD2-CD1 4.43Å; L523-L527 HydrophobicContact CG-CD1 3.93Å; L523-L527 HydrophobicContact CG-CG 4.16Å; L523-L527 WeakPolarHBondContact O-CB 3.49Å; L523-L527 VanDerWaalsContact O-CG 3.32Å; L523-L527 WeakPolarHBondContact O-CG 3.41Å; L523-L527 PolarHBondContact O-N 2.83Å; L524-L527 PolarHBondContact O-N 3.21Å; L527-N530 PolarHBondContact O-N 3.21Å; L527-A531 WeakPolarHBondContact O-CB 3.44Å; L527-A531 PolarHBondContact O-N 2.93Å; L527-W537 HydrophobicContact CD2-CE3 4.22Å; L527-W537 HydrophobicContact CD2-CZ3 4.13Å; L527-C540 HydrophobicContact CD2-CB 3.9Å; L527-M544 HydrophobicContact CD1-CB 3.89Å; L527-M544 HydrophobicContact CD1-CG 4.02Å; L527-Y572 HydrophobicContact CB-CE2 4.25Å |
| 528 | S | 86 | Confident | 83.3 | Confident | 15 Ų | 15 | 47.6 Ų | 47.6 | 11% | 0.105 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -65 | -39.3 | 175.5 | -177.2 | 0 | 0 | 0 | 0 | 112.8 | L524 L526 S575 I579 | L524-S528 WeakPolarHBondContact O-CB 3.32Å; L524-S528 PolarHBondContact O-N 3Å; L526-S528 VanDerWaalsContact C-N 3.28Å; L526-S528 PolarHBondContact O-N 3.33Å; S528-S575 VanDerWaalsContact CB-OG 3.26Å; S528-S575 WeakPolarHBondContact CB-OG 3.15Å; S528-S575 WeakPolarHBondContact OG-CB 3.46Å; S528-S575 PolarHBondContact OG-OG 2.91Å; S528-I579 WeakPolarHBondContact O-CD1 3.38Å |
| 529 | K | 84.8 | Confident | 84.3 | Confident | 148 Ų | 148 | 47.2 Ų | 47.2 | 64% | 0.643 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -69.4 | -34.3 | 176.8 | -74.6 | 170.9 | -175.5 | 170.4 | 0 | 112.3 | D525 L526 | D525-K529 WeakPolarHBondContact O-CG 3.35Å; D525-K529 PolarHBondContact O-N 3.4Å; L526-K529 PolarHBondContact O-N 3.28Å; L526-K529 VanDerWaalsContact O-N 3.17Å |
| 530 | N | 85.8 | Confident | 84.7 | Confident | 2 Ų | 2 | 43.8 Ų | 43.8 | 1% | 0.011 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -85.7 | -19.5 | -176.9 | -73.1 | -11.7 | 0 | 0 | 0 | 113.4 | A481 L526 L527 D532 R533 W537 | A481-N530 PolarHBondContact O-ND2 3.38Å; L526-N530 WeakPolarHBondContact O-CB 3.49Å; L526-N530 PolarHBondContact O-N 2.96Å; L527-N530 PolarHBondContact O-N 3.21Å; N530-D532 PolarHBondContact O-N 3Å; N530-D532 VanDerWaalsContact O-N 3.13Å; N530-R533 WeakPolarHBondContact O-CB 3.36Å; N530-R533 WeakPolarHBondContact O-CG 3.36Å; N530-R533 PolarHBondContact O-N 3.31Å; N530-R533 PolarHBondContact OD1-NE 2.88Å; N530-R533 VanDerWaalsContact OD1-NE 3.14Å; N530-R533 PolarHBondContact OD1-NH1 2.79Å; N530-R533 VanDerWaalsContact OD1-NH1 3.1Å; N530-W537 HydrophobicContact CB-CB 4.43Å; N530-W537 HydrophobicContact CB-CD2 3.92Å; N530-W537 HydrophobicContact CB-CE3 3.95Å; N530-W537 HydrophobicContact CB-CG 4.13Å; N530-W537 VanDerWaalsContact O-CB 3.24Å; N530-W537 WeakPolarHBondContact O-CB 3.21Å |
| 531 | A | 84.2 | Confident | 84.8 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -17.1 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115 | L527 W538 A541 L576 I579 | L527-A531 WeakPolarHBondContact O-CB 3.44Å; L527-A531 PolarHBondContact O-N 2.93Å; A531-W538 HydrophobicContact CB-CE3 4.08Å; A531-A541 HydrophobicContact CB-CB 3.86Å; A531-L576 HydrophobicContact CB-CD2 4.23Å; A531-I579 HydrophobicContact CB-CD1 3.31Å |
| 532 | D | 81 | Confident | 85 | Confident | 90 Ų | 90 | 40.3 Ų | 40.3 | 48% | 0.481 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | -14.4 | 169.1 | -85.2 | -49.9 | 0 | 0 | 0 | 113.6 | N530 I579 | N530-D532 PolarHBondContact O-N 3Å; N530-D532 VanDerWaalsContact O-N 3.13Å; D532-I579 HydrophobicContact CB-CG2 4.48Å; D532-I579 WeakPolarHBondContact OD1-CG2 3.42Å |
| 533 | R | 80.8 | Confident | 85 | Confident | 120 Ų | 120 | 38.4 Ų | 38.4 | 45% | 0.453 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | -40 | -170.7 | -62.5 | 178.7 | 174.5 | -172.6 | -6.1 | 113.6 | N530 | N530-R533 WeakPolarHBondContact O-CB 3.36Å; N530-R533 WeakPolarHBondContact O-CG 3.36Å; N530-R533 PolarHBondContact O-N 3.31Å; N530-R533 PolarHBondContact OD1-NE 2.88Å; N530-R533 VanDerWaalsContact OD1-NE 3.14Å; N530-R533 PolarHBondContact OD1-NH1 2.79Å; N530-R533 VanDerWaalsContact OD1-NH1 3.1Å |
| 534 | S | 81 | Confident | 85.1 | Confident | 13 Ų | 13 | 38.6 Ų | 38.6 | 9% | 0.091 | 19% | 0.19 | C | C | . | . | trans | -158.3 | 167.2 | -179.1 | 76.3 | 0 | 0 | 0 | 0 | 112.8 | D536 W537 W538 | S534-D536 VanDerWaalsContact C-N 3.31Å; S534-D536 PolarHBondContact O-N 3.46Å; S534-D536 PolarHBondContact OG-N 2.93Å; S534-W537 PolarHBondContact O-N 3.43Å; S534-W537 PolarHBondContact OG-N 2.78Å; S534-W538 PolarHBondContact O-N 3.18Å | ||
| 535 | D | 80.3 | Confident | 84.9 | Confident | 106 Ų | 106 | 38.3 Ų | 38.3 | 57% | 0.567 | 19% | 0.189 | S | C | * | . | H | α-helix | trans | -62.1 | -38.8 | 175.7 | -66.2 | -2.2 | 0 | 0 | 0 | 111.9 | W537 W538 M539 R581 | D535-W537 PolarHBondContact O-N 3.36Å; D535-W538 WeakPolarHBondContact O-CB 3.42Å; D535-W538 PolarHBondContact O-N 3.12Å; D535-M539 VanDerWaalsContact O-CG 3.3Å; D535-M539 WeakPolarHBondContact O-CG 3.35Å; D535-M539 PolarHBondContact O-N 3.43Å; D535-R581 IonicContact OD1-CZ 3.69Å; D535-R581 VanDerWaalsContact OD1-CZ 3.22Å; D535-R581 IonicContact OD1-NH1 3.62Å; D535-R581 PolarHBondContact OD1-NH1 3.46Å; D535-R581 IonicContact OD1-NH2 3.52Å; D535-R581 PolarHBondContact OD1-NH2 2.89Å |
| 536 | D | 82.3 | Confident | 84.8 | Confident | 58 Ų | 58 | 37.2 Ų | 37.2 | 31% | 0.31 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -62.2 | -44.3 | 176 | -65.8 | -18.8 | 0 | 0 | 0 | 112 | C490 S534 W538 M539 C540 | C490-D536 PolarHBondContact N-OD2 3.17Å; S534-D536 VanDerWaalsContact C-N 3.31Å; S534-D536 PolarHBondContact O-N 3.46Å; S534-D536 PolarHBondContact OG-N 2.93Å; D536-W538 VanDerWaalsContact C-N 3.33Å; D536-M539 PolarHBondContact O-N 2.56Å; D536-C540 PolarHBondContact O-N 3.42Å; D536-C540 PolarHBondContact O-SG 3.44Å |
| 537 | W | 86.5 | Confident | 84.6 | Confident | 2 Ų | 2 | 35.5 Ų | 35.5 | 1% | 0.008 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -67.2 | -35.5 | 177.4 | -74.9 | 115.8 | 0 | 0 | 0 | 112.1 | A481 C492 L527 N530 S534 D535 C540 A541 | A481-W537 VanDerWaalsContact CA-CH2 3.46Å; A481-W537 HydrophobicContact CB-CH2 4.06Å; A481-W537 HydrophobicContact CB-CZ3 4.07Å; C492-W537 HydrophobicContact CB-CH2 4.17Å; C492-W537 HydrophobicContact CB-CZ3 3.97Å; L527-W537 HydrophobicContact CD2-CE3 4.22Å; L527-W537 HydrophobicContact CD2-CZ3 4.13Å; N530-W537 HydrophobicContact CB-CB 4.43Å; N530-W537 HydrophobicContact CB-CD2 3.92Å; N530-W537 HydrophobicContact CB-CE3 3.95Å; N530-W537 HydrophobicContact CB-CG 4.13Å; N530-W537 VanDerWaalsContact O-CB 3.24Å; N530-W537 WeakPolarHBondContact O-CB 3.21Å; S534-W537 PolarHBondContact O-N 3.43Å; S534-W537 PolarHBondContact OG-N 2.78Å; D535-W537 PolarHBondContact O-N 3.36Å; W537-C540 HydrophobicContact CE3-CB 4.46Å; W537-C540 WeakPolarHBondContact O-CB 3.5Å; W537-C540 PolarHBondContact O-N 3.45Å; W537-A541 PolarHBondContact O-N 2.96Å |
| 538 | W | 85 | Confident | 84.3 | Confident | 11 Ų | 11 | 35.5 Ų | 35.5 | 4% | 0.042 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -61.2 | -47.1 | 170.8 | 177.6 | -110.2 | 0 | 0 | 0 | 111.5 | A531 S534 D535 D536 C540 A541 L542 I579 R581 D583 L586 | A531-W538 HydrophobicContact CB-CE3 4.08Å; S534-W538 PolarHBondContact O-N 3.18Å; D535-W538 WeakPolarHBondContact O-CB 3.42Å; D535-W538 PolarHBondContact O-N 3.12Å; D536-W538 VanDerWaalsContact C-N 3.33Å; W538-C540 VanDerWaalsContact C-N 3.32Å; W538-C540 PolarHBondContact O-N 3.15Å; W538-A541 PolarHBondContact O-N 3.34Å; W538-L542 HydrophobicContact CD2-CG 4.46Å; W538-L542 HydrophobicContact CZ2-CD1 4.35Å; W538-L542 HydrophobicContact CZ2-CD2 4.05Å; W538-L542 HydrophobicContact CZ2-CG 4.22Å; W538-L542 VanDerWaalsContact NE1-CD1 3.29Å; W538-L542 WeakPolarHBondContact O-CG 3.41Å; W538-L542 PolarHBondContact O-N 2.99Å; W538-I579 HydrophobicContact CE3-CD1 4.45Å; W538-I579 HydrophobicContact CE3-CG2 3.91Å; W538-I579 HydrophobicContact CZ3-CB 3.99Å; W538-I579 HydrophobicContact CZ3-CD1 4.04Å; W538-I579 HydrophobicContact CZ3-CG2 3.68Å; W538-R581 HydrophobicContact CD2-CB 4.3Å; W538-R581 HydrophobicContact CE3-CB 4.37Å; W538-R581 HydrophobicContact CH2-CB 4.33Å; W538-R581 HydrophobicContact CZ2-CB 4.29Å; W538-R581 HydrophobicContact CZ3-CB 4.41Å; W538-D583 HydrophobicContact CZ2-CB 3.48Å; W538-D583 VanDerWaalsContact CZ2-CB 3.48Å; W538-D583 PolarHBondContact NE1-OD2 3.24Å; W538-L586 HydrophobicContact CH2-CB 4.48Å; W538-L586 HydrophobicContact CH2-CD2 3.51Å; W538-L586 HydrophobicContact CZ2-CB 4.27Å; W538-L586 HydrophobicContact CZ2-CD2 4.13Å; W538-L586 HydrophobicContact CZ3-CD2 4.46Å |
| 539 | M | 84.1 | Confident | 83.9 | Confident | 84 Ų | 84 | 35 Ų | 35 | 41% | 0.414 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -64.2 | -34.6 | 176.5 | -69.9 | -57.7 | -66.8 | 0 | 0 | 112.5 | L493 D535 D536 L542 T543 | L493-M539 HydrophobicContact CD1-CB 3.91Å; L493-M539 HydrophobicContact CD2-CB 3.84Å; D535-M539 VanDerWaalsContact O-CG 3.3Å; D535-M539 WeakPolarHBondContact O-CG 3.35Å; D535-M539 PolarHBondContact O-N 3.43Å; D536-M539 PolarHBondContact O-N 2.56Å; M539-L542 PolarHBondContact O-N 2.84Å; M539-L542 HydrophobicContact SD-CD1 3.94Å; M539-T543 WeakPolarHBondContact O-CB 3.33Å; M539-T543 PolarHBondContact O-N 3.4Å; M539-T543 PolarHBondContact O-OG1 2.88Å |
| 540 | C | 88 | Confident | 83.3 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -59.6 | -49.8 | 171.8 | -67.6 | 0 | 0 | 0 | 0 | 110.8 | G489 L493 L496 L527 D536 W537 W538 L542 T543 M544 | G489-C540 PolarHBondContact O-SG 3.4Å; L493-C540 VanDerWaalsContact CA-SG 3.59Å; L493-C540 PolarHBondContact N-SG 3.42Å; L496-C540 HydrophobicContact CD1-CB 3.71Å; L496-C540 WeakPolarHBondContact CD1-O 3.35Å; L527-C540 HydrophobicContact CD2-CB 3.9Å; D536-C540 PolarHBondContact O-N 3.42Å; D536-C540 PolarHBondContact O-SG 3.44Å; W537-C540 HydrophobicContact CE3-CB 4.46Å; W537-C540 WeakPolarHBondContact O-CB 3.5Å; W537-C540 PolarHBondContact O-N 3.45Å; W538-C540 VanDerWaalsContact C-N 3.32Å; W538-C540 PolarHBondContact O-N 3.15Å; C540-L542 VanDerWaalsContact C-N 3.33Å; C540-L542 PolarHBondContact O-N 3.11Å; C540-T543 PolarHBondContact O-N 2.6Å; C540-M544 PolarHBondContact O-N 3Å |
| 541 | A | 88.1 | Confident | 82.8 | Confident | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -63.8 | -39.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | A531 W537 W538 A545 Y572 L576 | A531-A541 HydrophobicContact CB-CB 3.86Å; W537-A541 PolarHBondContact O-N 2.96Å; W538-A541 PolarHBondContact O-N 3.34Å; A541-A545 VanDerWaalsContact O-CB 3.28Å; A541-A545 WeakPolarHBondContact O-CB 3.34Å; A541-A545 PolarHBondContact O-N 3.47Å; A541-Y572 VanDerWaalsContact CA-OH 3.22Å; A541-Y572 WeakPolarHBondContact CA-OH 3.23Å; A541-Y572 PolarHBondContact O-OH 3.47Å; A541-L576 HydrophobicContact CB-CD1 4.12Å; A541-L576 HydrophobicContact CB-CD2 3.67Å |
| 542 | L | 84.7 | Confident | 82.1 | Confident | 4 Ų | 4 | 30.3 Ų | 30.3 | 2% | 0.021 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -63.8 | -42.9 | 173.9 | -77.2 | -179.9 | 0 | 0 | 0 | 113.1 | W538 M539 C540 A545 K546 D583 F585 L586 | W538-L542 HydrophobicContact CD2-CG 4.46Å; W538-L542 HydrophobicContact CZ2-CD1 4.35Å; W538-L542 HydrophobicContact CZ2-CD2 4.05Å; W538-L542 HydrophobicContact CZ2-CG 4.22Å; W538-L542 VanDerWaalsContact NE1-CD1 3.29Å; W538-L542 WeakPolarHBondContact O-CG 3.41Å; W538-L542 PolarHBondContact O-N 2.99Å; M539-L542 PolarHBondContact O-N 2.84Å; M539-L542 HydrophobicContact SD-CD1 3.94Å; C540-L542 VanDerWaalsContact C-N 3.33Å; C540-L542 PolarHBondContact O-N 3.11Å; L542-A545 PolarHBondContact O-N 3.37Å; L542-K546 WeakPolarHBondContact O-CB 3.26Å; L542-K546 PolarHBondContact O-N 3.35Å; L542-D583 WeakPolarHBondContact CD1-OD2 3.28Å; L542-F585 HydrophobicContact CB-CD1 4.47Å; L542-F585 HydrophobicContact CD1-CD1 4.43Å; L542-F585 HydrophobicContact CD2-CD1 4.16Å; L542-L586 HydrophobicContact CD2-CB 3.61Å; L542-L586 HydrophobicContact CD2-CD1 4.2Å; L542-L586 HydrophobicContact CD2-CG 4.41Å |
| 543 | T | 85.9 | Confident | 81.2 | Confident | 17 Ų | 17 | 29.8 Ų | 29.8 | 10% | 0.104 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -63.8 | -45.8 | 179.2 | -57.5 | 0 | 0 | 0 | 0 | 109.9 | L493 L496 D500 M539 C540 A545 K546 T547 | L493-T543 WeakPolarHBondContact CD1-OG1 3.48Å; L496-T543 HydrophobicContact CB-CG2 3.99Å; D500-T543 HydrophobicContact CB-CG2 4.21Å; M539-T543 WeakPolarHBondContact O-CB 3.33Å; M539-T543 PolarHBondContact O-N 3.4Å; M539-T543 PolarHBondContact O-OG1 2.88Å; C540-T543 PolarHBondContact O-N 2.6Å; T543-A545 PolarHBondContact O-N 3.41Å; T543-K546 WeakPolarHBondContact O-CB 3.46Å; T543-K546 PolarHBondContact O-N 3.48Å; T543-T547 PolarHBondContact O-N 3.15Å; T543-T547 PolarHBondContact O-OG1 3.22Å |
| 544 | M | 89.3 | Confident | 80 | Confident | 3 Ų | 3 | 26.3 Ų | 26.3 | 2% | 0.015 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -62.9 | -43.8 | 175.2 | -170.4 | 62.8 | -176.1 | 0 | 0 | 111.7 | L496 F499 M514 L524 L527 C540 K546 T547 L548 Y572 | L496-M544 HydrophobicContact CD2-SD 4Å; F499-M544 HydrophobicContact CE1-SD 4.5Å; M514-M544 HydrophobicContact SD-CE 4.25Å; L524-M544 HydrophobicContact CD2-CE 3.9Å; L524-M544 HydrophobicContact CD2-CG 3.63Å; L527-M544 HydrophobicContact CD1-CB 3.89Å; L527-M544 HydrophobicContact CD1-CG 4.02Å; C540-M544 PolarHBondContact O-N 3Å; M544-K546 VanDerWaalsContact C-N 3.31Å; M544-K546 PolarHBondContact O-N 3.46Å; M544-T547 PolarHBondContact O-N 3.34Å; M544-L548 HydrophobicContact CE-CD2 3.9Å; M544-L548 HydrophobicContact CE-CG 4.31Å; M544-L548 VanDerWaalsContact O-CG 3.3Å; M544-L548 WeakPolarHBondContact O-CG 3.44Å; M544-L548 PolarHBondContact O-N 3.11Å; M544-Y572 HydrophobicContact CB-CE1 4.49Å; M544-Y572 HydrophobicContact CG-CE1 4.43Å |
| 545 | A | 84.9 | Confident | 78.1 | Confident | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -58.4 | -43.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | A541 L542 T543 L548 V549 Y572 L573 L576 L589 | A541-A545 VanDerWaalsContact O-CB 3.28Å; A541-A545 WeakPolarHBondContact O-CB 3.34Å; A541-A545 PolarHBondContact O-N 3.47Å; L542-A545 PolarHBondContact O-N 3.37Å; T543-A545 PolarHBondContact O-N 3.41Å; A545-L548 PolarHBondContact O-N 2.59Å; A545-V549 WeakPolarHBondContact O-CB 3Å; A545-V549 VanDerWaalsContact O-CG2 3.23Å; A545-V549 WeakPolarHBondContact O-CG2 3.46Å; A545-V549 PolarHBondContact O-N 3.18Å; A545-Y572 HydrophobicContact CB-CE1 4.05Å; A545-L573 HydrophobicContact CB-CD2 3.83Å; A545-L576 HydrophobicContact CB-CD1 4.22Å; A545-L589 HydrophobicContact CB-CD1 3.87Å |
| 546 | K | 83 | Confident | 76.5 | Confident | 73 Ų | 73 | 32.2 Ų | 32.2 | 32% | 0.317 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -60.1 | -49.7 | 174.6 | -178.2 | -160.6 | 172.3 | -156.5 | 0 | 110.7 | D500 L542 T543 M544 L548 V549 C550 F585 L589 | D500-K546 IonicContact OD2-NZ 3.31Å; D500-K546 PolarHBondContact OD2-NZ 2.91Å; L542-K546 WeakPolarHBondContact O-CB 3.26Å; L542-K546 PolarHBondContact O-N 3.35Å; T543-K546 WeakPolarHBondContact O-CB 3.46Å; T543-K546 PolarHBondContact O-N 3.48Å; M544-K546 VanDerWaalsContact C-N 3.31Å; M544-K546 PolarHBondContact O-N 3.46Å; K546-L548 PolarHBondContact O-N 3.04Å; K546-V549 PolarHBondContact O-N 3.1Å; K546-C550 WeakPolarHBondContact O-CB 3.41Å; K546-C550 PolarHBondContact O-N 3.46Å; K546-C550 PolarHBondContact O-SG 3.11Å; K546-C550 VanDerWaalsContact O-SG 3.4Å; K546-F585 HydrophobicContact CB-CE1 4.15Å; K546-F585 HydrophobicContact CB-CZ 4.31Å; K546-F585 HydrophobicContact CD-CE1 4.46Å; K546-F585 HydrophobicContact CD-CZ 4.03Å; K546-F585 HydrophobicContact CG-CE1 4.43Å; K546-F585 HydrophobicContact CG-CZ 4.09Å; K546-L589 HydrophobicContact CB-CD1 3.99Å; K546-L589 HydrophobicContact CB-CD2 4.03Å; K546-L589 HydrophobicContact CG-CD2 4.21Å |
| 547 | T | 81.7 | Confident | 74.7 | Confident | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -58 | -47.8 | 179 | -55.3 | 0 | 0 | 0 | 0 | 111.8 | F499 D500 S503 T543 M544 V549 C550 Q551 | F499-T547 HydrophobicContact CD1-CG2 3.97Å; F499-T547 HydrophobicContact CE1-CG2 3.58Å; F499-T547 HydrophobicContact CZ-CG2 4.39Å; D500-T547 WeakPolarHBondContact CB-OG1 3.23Å; D500-T547 WeakPolarHBondContact OD1-CA 3.49Å; D500-T547 PolarHBondContact OD1-OG1 3.36Å; S503-T547 VanDerWaalsContact OG-CG2 3.3Å; S503-T547 WeakPolarHBondContact OG-CG2 3.29Å; T543-T547 PolarHBondContact O-N 3.15Å; T543-T547 PolarHBondContact O-OG1 3.22Å; M544-T547 PolarHBondContact O-N 3.34Å; T547-V549 VanDerWaalsContact C-N 3.32Å; T547-V549 PolarHBondContact O-N 2.9Å; T547-C550 PolarHBondContact O-N 3.32Å; T547-Q551 HydrophobicContact CG2-CG 4.45Å; T547-Q551 WeakPolarHBondContact O-CB 3.4Å; T547-Q551 VanDerWaalsContact O-CG 3.26Å; T547-Q551 WeakPolarHBondContact O-CG 3.26Å; T547-Q551 PolarHBondContact O-N 3.08Å |
| 548 | L | 83.9 | Confident | 73 | Confident | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -56.7 | -46.7 | 176.1 | -68.1 | 179.6 | 0 | 0 | 0 | 111.4 | M514 F515 L524 M544 A545 K546 Q551 C552 V569 Y572 | M514-L548 HydrophobicContact CE-CD2 3.16Å; M514-L548 HydrophobicContact CE-CG 4.45Å; M514-L548 HydrophobicContact SD-CD2 3.96Å; F515-L548 HydrophobicContact CE2-CD2 4.41Å; F515-L548 HydrophobicContact CZ-CD2 3.94Å; L524-L548 HydrophobicContact CD1-CD1 4.23Å; L524-L548 HydrophobicContact CD2-CD1 3.9Å; M544-L548 HydrophobicContact CE-CD2 3.9Å; M544-L548 HydrophobicContact CE-CG 4.31Å; M544-L548 VanDerWaalsContact O-CG 3.3Å; M544-L548 WeakPolarHBondContact O-CG 3.44Å; M544-L548 PolarHBondContact O-N 3.11Å; A545-L548 PolarHBondContact O-N 2.59Å; K546-L548 PolarHBondContact O-N 3.04Å; L548-Q551 PolarHBondContact O-N 3.4Å; L548-C552 PolarHBondContact O-N 3.49Å; L548-C552 PolarHBondContact O-SG 3.39Å; L548-V569 HydrophobicContact CB-CG1 4.27Å; L548-V569 HydrophobicContact CB-CG2 4.41Å; L548-V569 HydrophobicContact CD1-CG1 4.36Å; L548-V569 HydrophobicContact CD1-CG2 4.43Å; L548-Y572 HydrophobicContact CD1-CD1 3.66Å; L548-Y572 HydrophobicContact CD1-CE1 4.11Å |
| 549 | V | 76.8 | Confident | 71.6 | Confident | 4 Ų | 4 | 40.4 Ų | 40.4 | 2% | 0.024 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -68.5 | -41.5 | -178.9 | 174 | 0 | 0 | 0 | 0 | 111.3 | A545 K546 T547 Q551 C552 V553 L573 L589 V592 I596 | A545-V549 WeakPolarHBondContact O-CB 3Å; A545-V549 VanDerWaalsContact O-CG2 3.23Å; A545-V549 WeakPolarHBondContact O-CG2 3.46Å; A545-V549 PolarHBondContact O-N 3.18Å; K546-V549 PolarHBondContact O-N 3.1Å; T547-V549 VanDerWaalsContact C-N 3.32Å; T547-V549 PolarHBondContact O-N 2.9Å; V549-Q551 PolarHBondContact O-N 2.67Å; V549-C552 WeakPolarHBondContact O-CA 3.21Å; V549-C552 VanDerWaalsContact O-CB 3.29Å; V549-C552 WeakPolarHBondContact O-CB 3.5Å; V549-C552 PolarHBondContact O-N 3.18Å; V549-C552 VanDerWaalsContact O-N 3.12Å; V549-V553 WeakPolarHBondContact O-CG2 3.39Å; V549-V553 PolarHBondContact O-N 3Å; V549-V553 VanDerWaalsContact O-N 3.15Å; V549-L573 HydrophobicContact CG2-CD1 4.39Å; V549-L589 HydrophobicContact CB-CD2 4.42Å; V549-V592 HydrophobicContact CG1-CB 3.81Å; V549-V592 HydrophobicContact CG1-CG1 3.43Å; V549-V592 VanDerWaalsContact CG1-CG1 3.43Å; V549-I596 HydrophobicContact CG1-CD1 4.35Å |
| 550 | C | 73 | Confident | 70.3 | Confident | 42 Ų | 42 | 40.4 Ų | 40.4 | 28% | 0.284 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -61 | -43.9 | 174.7 | -75.6 | 0 | 0 | 0 | 0 | 111.7 | K546 T547 C552 V553 T554 | K546-C550 WeakPolarHBondContact O-CB 3.41Å; K546-C550 PolarHBondContact O-N 3.46Å; K546-C550 PolarHBondContact O-SG 3.11Å; K546-C550 VanDerWaalsContact O-SG 3.4Å; T547-C550 PolarHBondContact O-N 3.32Å; C550-C552 PolarHBondContact O-N 2.98Å; C550-V553 PolarHBondContact O-N 3.44Å; C550-T554 PolarHBondContact O-N 3.45Å; C550-T554 PolarHBondContact O-OG1 3.41Å |
| 551 | Q | 74.5 | Confident | 69.2 | Low | 10 Ų | 10 | 41.6 Ų | 41.6 | 5% | 0.047 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62.1 | -31.1 | 174.1 | -72.2 | -65.2 | -37.4 | 0 | 0 | 112.6 | S503 S509 L511 M514 T547 L548 V549 V553 T554 | S503-Q551 PolarHBondContact O-NE2 2.79Å; S509-Q551 VanDerWaalsContact CB-OE1 3.23Å; S509-Q551 PolarHBondContact O-OE1 3.23Å; S509-Q551 PolarHBondContact OG-NE2 3.33Å; S509-Q551 PolarHBondContact OG-OE1 2.91Å; L511-Q551 HydrophobicContact CD1-CB 3.75Å; M514-Q551 HydrophobicContact CE-CB 4.46Å; M514-Q551 HydrophobicContact CE-CG 4.42Å; T547-Q551 HydrophobicContact CG2-CG 4.45Å; T547-Q551 WeakPolarHBondContact O-CB 3.4Å; T547-Q551 VanDerWaalsContact O-CG 3.26Å; T547-Q551 WeakPolarHBondContact O-CG 3.26Å; T547-Q551 PolarHBondContact O-N 3.08Å; L548-Q551 PolarHBondContact O-N 3.4Å; V549-Q551 PolarHBondContact O-N 2.67Å; Q551-V553 VanDerWaalsContact C-N 3.3Å; Q551-T554 PolarHBondContact O-OG1 3.45Å |
| 552 | C | 70.3 | Confident | 68.3 | Low | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -69.3 | -25.8 | 171 | -65.4 | 0 | 0 | 0 | 0 | 112.6 | L511 L548 V549 C550 W558 I596 | L511-C552 WeakPolarHBondContact CD2-SG 3.25Å; L548-C552 PolarHBondContact O-N 3.49Å; L548-C552 PolarHBondContact O-SG 3.39Å; V549-C552 WeakPolarHBondContact O-CA 3.21Å; V549-C552 VanDerWaalsContact O-CB 3.29Å; V549-C552 WeakPolarHBondContact O-CB 3.5Å; V549-C552 PolarHBondContact O-N 3.18Å; V549-C552 VanDerWaalsContact O-N 3.12Å; C550-C552 PolarHBondContact O-N 2.98Å; C552-W558 WeakPolarHBondContact O-CB 3.28Å; C552-I596 HydrophobicContact CB-CD1 3.45Å; C552-I596 VanDerWaalsContact CB-CD1 3.45Å; C552-I596 HydrophobicContact CB-CG2 3.99Å |
| 553 | V | 61.4 | Low | 67.8 | Low | 78 Ų | 78 | 47.7 Ų | 47.7 | 47% | 0.473 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -89.6 | -34.5 | -177 | 176.6 | 0 | 0 | 0 | 0 | 112.5 | V549 C550 Q551 S555 V592 I596 | V549-V553 WeakPolarHBondContact O-CG2 3.39Å; V549-V553 PolarHBondContact O-N 3Å; V549-V553 VanDerWaalsContact O-N 3.15Å; C550-V553 PolarHBondContact O-N 3.44Å; Q551-V553 VanDerWaalsContact C-N 3.3Å; V553-S555 PolarHBondContact O-N 3.35Å; V553-V592 HydrophobicContact CG2-CG1 4.1Å; V553-I596 HydrophobicContact CG2-CD1 3.38Å; V553-I596 HydrophobicContact CG2-CG1 4.19Å |
| 554 | T | 54.7 | Low | 67.4 | Low | 48 Ų | 48 | 52.8 Ų | 52.8 | 29% | 0.294 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -64.5 | 128.4 | -170.4 | 38.7 | 0 | 0 | 0 | 0 | 113.6 | C550 Q551 | C550-T554 PolarHBondContact O-N 3.45Å; C550-T554 PolarHBondContact O-OG1 3.41Å; Q551-T554 PolarHBondContact O-OG1 3.45Å |
| 555 | S | 42.5 | Very low | 66.7 | Low | 92 Ų | 92 | 53.2 Ų | 53.2 | 64% | 0.643 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.5 | 68 | 165.5 | 78.3 | 0 | 0 | 0 | 0 | 120.2 | V553 A557 | V553-S555 PolarHBondContact O-N 3.35Å; S555-A557 WeakPolarHBondContact O-CB 3.12Å; S555-A557 PolarHBondContact O-N 2.91Å |
| 556 | M | 46.6 | Very low | 66.3 | Low | 151 Ų | 151 | 54.4 Ų | 54.4 | 74% | 0.744 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.2 | -4.8 | 174 | -69.9 | -74.4 | -87.5 | 0 | 0 | 116 | W558 L559 | M556-W558 VanDerWaalsContact C-N 3.35Å; M556-L559 WeakPolarHBondContact O-CB 3.46Å; M556-L559 PolarHBondContact O-N 2.84Å |
| 557 | A | 44.7 | Very low | 66.2 | Low | 30 Ų | 30 | 54.4 Ų | 54.4 | 25% | 0.248 | 32% | 0.317 | C | S | . | . | G | 310 helix | trans | -87.2 | -12.1 | -168 | 0 | 0 | 0 | 0 | 0 | 111.1 | S555 L559 S560 V561 | S555-A557 WeakPolarHBondContact O-CB 3.12Å; S555-A557 PolarHBondContact O-N 2.91Å; A557-L559 PolarHBondContact O-N 3.42Å; A557-L559 VanDerWaalsContact O-N 3.17Å; A557-S560 VanDerWaalsContact CA-OG 3.22Å; A557-S560 WeakPolarHBondContact CA-OG 3.23Å; A557-S560 CarbonylContact O-C 3.59Å; A557-S560 WeakPolarHBondContact O-CA 3.44Å; A557-S560 PolarHBondContact O-N 2.83Å; A557-S560 PolarHBondContact O-OG 3.28Å; A557-V561 WeakPolarHBondContact O-CG2 3.4Å; A557-V561 PolarHBondContact O-N 3Å |
| 558 | W | 50.9 | Low | 66.1 | Low | 99 Ų | 99 | 55.6 Ų | 55.6 | 38% | 0.375 | 32% | 0.323 | S | S | . | . | G | 310 helix | trans | -53.8 | -31.5 | 166.8 | 77 | -99.2 | 0 | 0 | 0 | 111.7 | C552 M556 S560 V561 I596 | C552-W558 WeakPolarHBondContact O-CB 3.28Å; M556-W558 VanDerWaalsContact C-N 3.35Å; W558-S560 VanDerWaalsContact C-N 3.27Å; W558-S560 PolarHBondContact O-N 3.42Å; W558-V561 PolarHBondContact O-N 3.42Å; W558-I596 HydrophobicContact CB-CG2 3.91Å |
| 559 | L | 55 | Low | 66.1 | Low | 114 Ų | 114 | 55.6 Ų | 55.6 | 60% | 0.597 | 32% | 0.323 | S | S | * | . | G | 310 helix | trans | -69.3 | -21.4 | 172.5 | -67 | 170.6 | 0 | 0 | 0 | 113.7 | M556 A557 | M556-L559 WeakPolarHBondContact O-CB 3.46Å; M556-L559 PolarHBondContact O-N 2.84Å; A557-L559 PolarHBondContact O-N 3.42Å; A557-L559 VanDerWaalsContact O-N 3.17Å |
| 560 | S | 56.4 | Low | 66.3 | Low | 83 Ų | 83 | 57 Ų | 57 | 58% | 0.58 | 33% | 0.331 | S | S | * | . | G | 310 helix | trans | -101.5 | -2.5 | 177.1 | 51.8 | 0 | 0 | 0 | 0 | 114 | A557 W558 S562 | A557-S560 VanDerWaalsContact CA-OG 3.22Å; A557-S560 WeakPolarHBondContact CA-OG 3.23Å; A557-S560 CarbonylContact O-C 3.59Å; A557-S560 WeakPolarHBondContact O-CA 3.44Å; A557-S560 PolarHBondContact O-N 2.83Å; A557-S560 PolarHBondContact O-OG 3.28Å; W558-S560 VanDerWaalsContact C-N 3.27Å; W558-S560 PolarHBondContact O-N 3.42Å; S560-S562 PolarHBondContact O-N 3.1Å |
| 561 | V | 64.4 | Low | 66.8 | Low | 25 Ų | 25 | 59.3 Ų | 59.3 | 15% | 0.152 | 34% | 0.34 | C | S | . | . | trans | -67.6 | 129.3 | 178.1 | -179.6 | 0 | 0 | 0 | 0 | 109.4 | L511 A557 W558 D565 L566 | L511-V561 HydrophobicContact CB-CG2 4.36Å; L511-V561 HydrophobicContact CD2-CB 4.49Å; L511-V561 HydrophobicContact CD2-CG1 3.42Å; L511-V561 VanDerWaalsContact CD2-CG1 3.42Å; L511-V561 HydrophobicContact CD2-CG2 4.14Å; A557-V561 WeakPolarHBondContact O-CG2 3.4Å; A557-V561 PolarHBondContact O-N 3Å; W558-V561 PolarHBondContact O-N 3.42Å; V561-D565 HydrophobicContact CG1-CB 3.85Å; V561-L566 HydrophobicContact CB-CD2 4.48Å; V561-L566 HydrophobicContact CB-CG 4.42Å; V561-L566 HydrophobicContact CG1-CD2 3.87Å; V561-L566 HydrophobicContact CG1-CG 3.72Å | ||
| 562 | S | 69.3 | Low | 67.3 | Low | 49 Ų | 49 | 59.1 Ų | 59.1 | 34% | 0.343 | 34% | 0.339 | S | S | . | . | trans | -66.5 | 149 | 179.1 | 83.6 | 0 | 0 | 0 | 0 | 111.3 | S560 E564 D565 L566 | S560-S562 PolarHBondContact O-N 3.1Å; S562-E564 PolarHBondContact O-N 2.94Å; S562-D565 WeakPolarHBondContact CB-OD2 2.89Å; S562-D565 PolarHBondContact O-N 3.32Å; S562-D565 VanDerWaalsContact O-N 3.16Å; S562-D565 PolarHBondContact OG-N 2.73Å; S562-D565 VanDerWaalsContact OG-N 3.15Å; S562-D565 PolarHBondContact OG-OD2 3.4Å; S562-L566 PolarHBondContact O-N 3.44Å | ||
| 563 | A | 74.6 | Confident | 67.9 | Low | 83 Ų | 83 | 59.2 Ų | 59.2 | 69% | 0.686 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -60.4 | -29.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | N567 | A563-N567 WeakPolarHBondContact O-CB 3.47Å; A563-N567 PolarHBondContact O-N 3.25Å |
| 564 | E | 76.8 | Confident | 68.9 | Low | 124 Ų | 124 | 57.9 Ų | 57.9 | 58% | 0.579 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -67.2 | -45.1 | 175.5 | -170.9 | -177.2 | 160.7 | 0 | 0 | 111.5 | K521 S562 N567 N568 | K521-E564 IonicContact NZ-OE1 3.98Å; K521-E564 PolarHBondContact NZ-OE1 3.35Å; S562-E564 PolarHBondContact O-N 2.94Å; E564-N567 WeakPolarHBondContact O-CA 3.25Å; E564-N567 WeakPolarHBondContact O-CB 3.23Å; E564-N567 PolarHBondContact O-N 3.2Å; E564-N567 VanDerWaalsContact O-N 3.08Å; E564-N568 VanDerWaalsContact O-CG 3.31Å; E564-N568 PolarHBondContact O-N 3.31Å; E564-N568 PolarHBondContact O-ND2 2.85Å |
| 565 | D | 74.5 | Confident | 70.2 | Confident | 13 Ų | 13 | 56.9 Ų | 56.9 | 7% | 0.07 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -64.1 | -43.8 | -179.8 | -62.6 | -38.5 | 0 | 0 | 0 | 111.5 | L511 F515 V561 S562 N567 N568 V569 | L511-D565 HydrophobicContact CD2-CB 4.02Å; F515-D565 VanDerWaalsContact CB-OD1 3.25Å; F515-D565 WeakPolarHBondContact CB-OD1 3.41Å; F515-D565 HydrophobicContact CD2-CB 3.77Å; F515-D565 HydrophobicContact CE2-CB 4.28Å; F515-D565 HydrophobicContact CG-CB 4.49Å; V561-D565 HydrophobicContact CG1-CB 3.85Å; S562-D565 WeakPolarHBondContact CB-OD2 2.89Å; S562-D565 PolarHBondContact O-N 3.32Å; S562-D565 VanDerWaalsContact O-N 3.16Å; S562-D565 PolarHBondContact OG-N 2.73Å; S562-D565 VanDerWaalsContact OG-N 3.15Å; S562-D565 PolarHBondContact OG-OD2 3.4Å; D565-N567 VanDerWaalsContact C-N 3.31Å; D565-N567 PolarHBondContact O-N 2.68Å; D565-N568 WeakPolarHBondContact O-CB 3.07Å; D565-N568 PolarHBondContact O-N 3.35Å; D565-V569 WeakPolarHBondContact O-CG2 3.38Å; D565-V569 PolarHBondContact O-N 3.25Å; D565-V569 VanDerWaalsContact O-N 3.1Å |
| 566 | L | 76.6 | Confident | 72.1 | Confident | 24 Ų | 24 | 52.6 Ų | 52.6 | 13% | 0.126 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -56.5 | -48.2 | 170.1 | -68.7 | 175.5 | 0 | 0 | 0 | 110.1 | V561 S562 N568 V569 D570 Y593 I596 A597 | V561-L566 HydrophobicContact CB-CD2 4.48Å; V561-L566 HydrophobicContact CB-CG 4.42Å; V561-L566 HydrophobicContact CG1-CD2 3.87Å; V561-L566 HydrophobicContact CG1-CG 3.72Å; S562-L566 PolarHBondContact O-N 3.44Å; L566-N568 PolarHBondContact O-N 3.3Å; L566-V569 PolarHBondContact O-N 3.48Å; L566-V569 VanDerWaalsContact O-N 3.1Å; L566-D570 PolarHBondContact O-N 2.97Å; L566-Y593 WeakPolarHBondContact CA-OH 3.38Å; L566-Y593 WeakPolarHBondContact CB-OH 3.32Å; L566-Y593 HydrophobicContact CD2-CE2 3.89Å; L566-Y593 PolarHBondContact O-OH 3.42Å; L566-I596 HydrophobicContact CD2-CG2 4.5Å; L566-A597 HydrophobicContact CD1-CB 4.41Å; L566-A597 HydrophobicContact CD2-CB 4.41Å |
| 567 | N | 81.5 | Confident | 73.4 | Confident | 73 Ų | 73 | 47.8 Ų | 47.8 | 39% | 0.39 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -59.4 | -33.9 | -179.9 | -155.1 | 40.9 | 0 | 0 | 0 | 113.4 | A563 E564 D565 D570 N571 | A563-N567 WeakPolarHBondContact O-CB 3.47Å; A563-N567 PolarHBondContact O-N 3.25Å; E564-N567 WeakPolarHBondContact O-CA 3.25Å; E564-N567 WeakPolarHBondContact O-CB 3.23Å; E564-N567 PolarHBondContact O-N 3.2Å; E564-N567 VanDerWaalsContact O-N 3.08Å; D565-N567 VanDerWaalsContact C-N 3.31Å; D565-N567 PolarHBondContact O-N 2.68Å; N567-D570 PolarHBondContact O-N 2.91Å; N567-N571 WeakPolarHBondContact O-CB 3.42Å; N567-N571 PolarHBondContact O-N 3.3Å; N567-N571 PolarHBondContact O-ND2 3.42Å; N567-N571 VanDerWaalsContact O-ND2 3.16Å |
| 568 | N | 80.1 | Confident | 74.8 | Confident | 25 Ų | 25 | 54.5 Ų | 54.5 | 13% | 0.134 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -67.1 | -44.5 | 174.7 | -63.4 | -39.3 | 0 | 0 | 0 | 112.1 | F515 K521 E564 D565 L566 D570 N571 Y572 | F515-N568 HydrophobicContact CD1-CB 4.05Å; F515-N568 HydrophobicContact CE1-CB 3.63Å; F515-N568 HydrophobicContact CZ-CB 3.99Å; K521-N568 WeakPolarHBondContact CE-ND2 3.41Å; E564-N568 VanDerWaalsContact O-CG 3.31Å; E564-N568 PolarHBondContact O-N 3.31Å; E564-N568 PolarHBondContact O-ND2 2.85Å; D565-N568 WeakPolarHBondContact O-CB 3.07Å; D565-N568 PolarHBondContact O-N 3.35Å; L566-N568 PolarHBondContact O-N 3.3Å; N568-D570 VanDerWaalsContact C-N 3.3Å; N568-D570 PolarHBondContact O-N 2.66Å; N568-N571 PolarHBondContact O-N 2.82Å; N568-Y572 PolarHBondContact O-N 3.27Å |
| 569 | V | 82.5 | Confident | 75.7 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -61 | -41.8 | 174.6 | -179 | 0 | 0 | 0 | 0 | 110.7 | L511 F515 L548 D565 L566 Y572 L573 Y593 | L511-V569 HydrophobicContact CD2-CG2 4.31Å; F515-V569 HydrophobicContact CE2-CG2 3.55Å; F515-V569 HydrophobicContact CZ-CG2 3.48Å; F515-V569 VanDerWaalsContact CZ-CG2 3.48Å; L548-V569 HydrophobicContact CB-CG1 4.27Å; L548-V569 HydrophobicContact CB-CG2 4.41Å; L548-V569 HydrophobicContact CD1-CG1 4.36Å; L548-V569 HydrophobicContact CD1-CG2 4.43Å; D565-V569 WeakPolarHBondContact O-CG2 3.38Å; D565-V569 PolarHBondContact O-N 3.25Å; D565-V569 VanDerWaalsContact O-N 3.1Å; L566-V569 PolarHBondContact O-N 3.48Å; L566-V569 VanDerWaalsContact O-N 3.1Å; V569-Y572 PolarHBondContact O-N 3.24Å; V569-L573 HydrophobicContact CG1-CD1 3.79Å; V569-L573 HydrophobicContact CG1-CG 4.22Å; V569-L573 WeakPolarHBondContact O-CB 3.29Å; V569-L573 WeakPolarHBondContact O-CG 3.49Å; V569-L573 PolarHBondContact O-N 3.2Å; V569-Y593 HydrophobicContact CB-CD2 4.18Å; V569-Y593 HydrophobicContact CB-CE2 3.6Å; V569-Y593 HydrophobicContact CG1-CD2 3.47Å; V569-Y593 VanDerWaalsContact CG1-CD2 3.47Å; V569-Y593 HydrophobicContact CG1-CE2 3.44Å; V569-Y593 VanDerWaalsContact CG1-CE2 3.44Å; V569-Y593 HydrophobicContact CG1-CG 4.12Å; V569-Y593 HydrophobicContact CG2-CE2 4.42Å |
| 570 | D | 81.7 | Confident | 76 | Confident | 35 Ų | 35 | 52.3 Ų | 52.3 | 19% | 0.187 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -64.3 | -43.5 | 179.4 | -170.9 | 61.9 | 0 | 0 | 0 | 113 | L566 N567 N568 Y572 L573 S574 Y593 R599 | L566-D570 PolarHBondContact O-N 2.97Å; N567-D570 PolarHBondContact O-N 2.91Å; N568-D570 VanDerWaalsContact C-N 3.3Å; N568-D570 PolarHBondContact O-N 2.66Å; D570-Y572 VanDerWaalsContact C-N 3.29Å; D570-Y572 PolarHBondContact O-N 2.83Å; D570-L573 PolarHBondContact O-N 3.32Å; D570-S574 WeakPolarHBondContact O-CB 3.49Å; D570-S574 PolarHBondContact O-N 2.7Å; D570-S574 PolarHBondContact O-OG 2.89Å; D570-Y593 HydrophobicContact CB-CE1 3.67Å; D570-R599 VanDerWaalsContact CB-NH1 3.26Å; D570-R599 IonicContact OD1-NH1 3.92Å; D570-R599 PolarHBondContact OD1-NH1 3.46Å; D570-R599 IonicContact OD2-CZ 3.65Å; D570-R599 IonicContact OD2-NH1 3.91Å; D570-R599 PolarHBondContact OD2-NH1 3.14Å |
| 571 | N | 83.1 | Confident | 76.3 | Confident | 90 Ų | 90 | 51.9 Ų | 51.9 | 48% | 0.481 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -59.9 | -42.3 | 177 | -74.2 | -28.8 | 0 | 0 | 0 | 111.2 | N567 N568 S575 | N567-N571 WeakPolarHBondContact O-CB 3.42Å; N567-N571 PolarHBondContact O-N 3.3Å; N567-N571 PolarHBondContact O-ND2 3.42Å; N567-N571 VanDerWaalsContact O-ND2 3.16Å; N568-N571 PolarHBondContact O-N 2.82Å; N571-S575 WeakPolarHBondContact O-CB 3.37Å; N571-S575 PolarHBondContact O-N 3.3Å |
| 572 | Y | 85.3 | Confident | 75.9 | Confident | 6 Ų | 6 | 56.6 Ų | 56.6 | 2% | 0.024 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -67.3 | -48.9 | 177.3 | 178.5 | -116.1 | 0 | 0 | 0 | 112.5 | L524 L527 A541 M544 A545 L548 N568 V569 D570 S574 S575 L576 | L524-Y572 HydrophobicContact CB-CD2 3.56Å; L524-Y572 HydrophobicContact CB-CE2 3.96Å; L524-Y572 HydrophobicContact CB-CG 4.04Å; L524-Y572 HydrophobicContact CD1-CG 4.34Å; L524-Y572 HydrophobicContact CD2-CD1 3.86Å; L524-Y572 HydrophobicContact CD2-CD2 3.91Å; L524-Y572 HydrophobicContact CD2-CE1 3.81Å; L524-Y572 HydrophobicContact CD2-CE2 3.87Å; L524-Y572 HydrophobicContact CD2-CG 3.88Å; L524-Y572 HydrophobicContact CG-CD2 4.21Å; L524-Y572 HydrophobicContact CG-CG 4.28Å; L524-Y572 WeakPolarHBondContact O-CD2 3.4Å; L524-Y572 WeakPolarHBondContact O-CE2 3.46Å; L527-Y572 HydrophobicContact CB-CE2 4.25Å; A541-Y572 VanDerWaalsContact CA-OH 3.22Å; A541-Y572 WeakPolarHBondContact CA-OH 3.23Å; A541-Y572 PolarHBondContact O-OH 3.47Å; M544-Y572 HydrophobicContact CB-CE1 4.49Å; M544-Y572 HydrophobicContact CG-CE1 4.43Å; A545-Y572 HydrophobicContact CB-CE1 4.05Å; L548-Y572 HydrophobicContact CD1-CD1 3.66Å; L548-Y572 HydrophobicContact CD1-CE1 4.11Å; N568-Y572 PolarHBondContact O-N 3.27Å; V569-Y572 PolarHBondContact O-N 3.24Å; D570-Y572 VanDerWaalsContact C-N 3.29Å; D570-Y572 PolarHBondContact O-N 2.83Å; Y572-S574 VanDerWaalsContact C-N 3.28Å; Y572-S574 PolarHBondContact O-N 3.13Å; Y572-S575 PolarHBondContact O-N 3.23Å; Y572-S575 PolarHBondContact O-OG 3.21Å; Y572-L576 HydrophobicContact CD1-CD1 4.36Å; Y572-L576 HydrophobicContact CE1-CD1 3.83Å; Y572-L576 HydrophobicContact CE2-CD1 4.37Å; Y572-L576 HydrophobicContact CE2-CD2 4.32Å; Y572-L576 HydrophobicContact CE2-CG 4.35Å; Y572-L576 WeakPolarHBondContact O-CG 3.45Å; Y572-L576 PolarHBondContact O-N 3.03Å; Y572-L576 VanDerWaalsContact O-N 3.12Å |
| 573 | L | 84.1 | Confident | 75.7 | Confident | 2 Ų | 2 | 56.2 Ų | 56.2 | 1% | 0.01 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -60 | -41.7 | 176.7 | -72.8 | 175.2 | 0 | 0 | 0 | 111.5 | A545 V549 V569 D570 S575 L576 T577 L586 I590 Y593 | A545-L573 HydrophobicContact CB-CD2 3.83Å; V549-L573 HydrophobicContact CG2-CD1 4.39Å; V569-L573 HydrophobicContact CG1-CD1 3.79Å; V569-L573 HydrophobicContact CG1-CG 4.22Å; V569-L573 WeakPolarHBondContact O-CB 3.29Å; V569-L573 WeakPolarHBondContact O-CG 3.49Å; V569-L573 PolarHBondContact O-N 3.2Å; D570-L573 PolarHBondContact O-N 3.32Å; L573-S575 PolarHBondContact O-N 3.23Å; L573-L576 PolarHBondContact O-N 3.29Å; L573-T577 WeakPolarHBondContact O-CG2 3.33Å; L573-T577 PolarHBondContact O-N 3.41Å; L573-L586 HydrophobicContact CD2-CD1 4.18Å; L573-I590 HydrophobicContact CB-CG1 4.19Å; L573-I590 HydrophobicContact CD2-CG1 4.19Å; L573-Y593 VanDerWaalsContact CD1-CB 3.5Å; L573-Y593 HydrophobicContact CD1-CD1 3.4Å; L573-Y593 HydrophobicContact CD1-CD2 4.09Å; L573-Y593 HydrophobicContact CD1-CE1 4.21Å; L573-Y593 HydrophobicContact CD1-CG 3.34Å |
| 574 | S | 80.6 | Confident | 75.2 | Confident | 49 Ų | 49 | 54.4 Ų | 54.4 | 34% | 0.343 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -64.2 | -37.6 | 177 | -67.2 | 0 | 0 | 0 | 0 | 112.5 | D570 Y572 T577 | D570-S574 WeakPolarHBondContact O-CB 3.49Å; D570-S574 PolarHBondContact O-N 2.7Å; D570-S574 PolarHBondContact O-OG 2.89Å; Y572-S574 VanDerWaalsContact C-N 3.28Å; Y572-S574 PolarHBondContact O-N 3.13Å; S574-T577 PolarHBondContact O-N 3Å; S574-T577 PolarHBondContact O-OG1 3.25Å |
| 575 | S | 82.6 | Confident | 74.7 | Confident | 28 Ų | 28 | 52.5 Ų | 52.5 | 20% | 0.196 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -67.3 | -37.5 | 176.8 | 71.5 | 0 | 0 | 0 | 0 | 111.7 | S528 N571 Y572 L573 T577 K578 | S528-S575 VanDerWaalsContact CB-OG 3.26Å; S528-S575 WeakPolarHBondContact CB-OG 3.15Å; S528-S575 WeakPolarHBondContact OG-CB 3.46Å; S528-S575 PolarHBondContact OG-OG 2.91Å; N571-S575 WeakPolarHBondContact O-CB 3.37Å; N571-S575 PolarHBondContact O-N 3.3Å; Y572-S575 PolarHBondContact O-N 3.23Å; Y572-S575 PolarHBondContact O-OG 3.21Å; L573-S575 PolarHBondContact O-N 3.23Å; S575-T577 VanDerWaalsContact C-N 3.28Å; S575-T577 PolarHBondContact O-N 2.84Å; S575-K578 WeakPolarHBondContact O-CB 3.44Å; S575-K578 PolarHBondContact O-N 3.5Å |
| 576 | L | 81.8 | Confident | 74.7 | Confident | 1 Ų | 1 | 52.2 Ų | 52.2 | 1% | 0.005 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -64.1 | -29.2 | 174.4 | -62.8 | -178.5 | 0 | 0 | 0 | 113.2 | A531 A541 A545 Y572 L573 K578 I579 L586 | A531-L576 HydrophobicContact CB-CD2 4.23Å; A541-L576 HydrophobicContact CB-CD1 4.12Å; A541-L576 HydrophobicContact CB-CD2 3.67Å; A545-L576 HydrophobicContact CB-CD1 4.22Å; Y572-L576 HydrophobicContact CD1-CD1 4.36Å; Y572-L576 HydrophobicContact CE1-CD1 3.83Å; Y572-L576 HydrophobicContact CE2-CD1 4.37Å; Y572-L576 HydrophobicContact CE2-CD2 4.32Å; Y572-L576 HydrophobicContact CE2-CG 4.35Å; Y572-L576 WeakPolarHBondContact O-CG 3.45Å; Y572-L576 PolarHBondContact O-N 3.03Å; Y572-L576 VanDerWaalsContact O-N 3.12Å; L573-L576 PolarHBondContact O-N 3.29Å; L576-K578 PolarHBondContact O-N 3.07Å; L576-I579 HydrophobicContact CD2-CD1 3.75Å; L576-I579 WeakPolarHBondContact O-CB 3.47Å; L576-I579 PolarHBondContact O-N 3.26Å; L576-L586 HydrophobicContact CB-CD1 4.29Å; L576-L586 HydrophobicContact CB-CD2 3.78Å; L576-L586 HydrophobicContact CD1-CD1 4.09Å |
| 577 | T | 75.6 | Confident | 74.3 | Confident | 51 Ų | 51 | 51.6 Ų | 51.6 | 31% | 0.313 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -15.7 | 176.8 | 66.1 | 0 | 0 | 0 | 0 | 115 | L573 S574 S575 I590 | L573-T577 WeakPolarHBondContact O-CG2 3.33Å; L573-T577 PolarHBondContact O-N 3.41Å; S574-T577 PolarHBondContact O-N 3Å; S574-T577 PolarHBondContact O-OG1 3.25Å; S575-T577 VanDerWaalsContact C-N 3.28Å; S575-T577 PolarHBondContact O-N 2.84Å; T577-I590 HydrophobicContact CG2-CD1 3.28Å |
| 578 | K | 73.2 | Confident | 73.6 | Confident | 171 Ų | 171 | 48.7 Ų | 48.7 | 74% | 0.743 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.9 | -19 | 178 | -63.6 | 178.7 | -178.5 | 173.4 | 0 | 112.6 | S575 L576 | S575-K578 WeakPolarHBondContact O-CB 3.44Å; S575-K578 PolarHBondContact O-N 3.5Å; L576-K578 PolarHBondContact O-N 3.07Å |
| 579 | I | 69.5 | Low | 73.1 | Confident | 7 Ų | 7 | 48 Ų | 48 | 4% | 0.036 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -69.6 | 128.1 | 177.4 | -58.3 | -176.2 | 0 | 0 | 0 | 107 | S528 A531 D532 W538 L576 R581 | S528-I579 WeakPolarHBondContact O-CD1 3.38Å; A531-I579 HydrophobicContact CB-CD1 3.31Å; D532-I579 HydrophobicContact CB-CG2 4.48Å; D532-I579 WeakPolarHBondContact OD1-CG2 3.42Å; W538-I579 HydrophobicContact CE3-CD1 4.45Å; W538-I579 HydrophobicContact CE3-CG2 3.91Å; W538-I579 HydrophobicContact CZ3-CB 3.99Å; W538-I579 HydrophobicContact CZ3-CD1 4.04Å; W538-I579 HydrophobicContact CZ3-CG2 3.68Å; L576-I579 HydrophobicContact CD2-CD1 3.75Å; L576-I579 WeakPolarHBondContact O-CB 3.47Å; L576-I579 PolarHBondContact O-N 3.26Å; I579-R581 HydrophobicContact CG2-CB 4.15Å; I579-R581 HydrophobicContact CG2-CG 4.07Å; I579-R581 PolarHBondContact O-N 3.45Å |
| 580 | N | 61 | Low | 72.7 | Confident | 160 Ų | 160 | 48.6 Ų | 48.6 | 86% | 0.856 | 26% | 0.264 | S | S | * | . | S | Bend | trans | -76.6 | 46 | -174.3 | -95.5 | -18.1 | 0 | 0 | 0 | 112.2 | ||
| 581 | R | 63 | Low | 71.8 | Confident | 73 Ų | 73 | 47 Ų | 47 | 28% | 0.275 | 26% | 0.256 | S | S | . | . | trans | -122.3 | 107 | 176.8 | -69.4 | 178.5 | 168.5 | -123.8 | -5.3 | 108.4 | D535 W538 I579 D583 | D535-R581 IonicContact OD1-CZ 3.69Å; D535-R581 VanDerWaalsContact OD1-CZ 3.22Å; D535-R581 IonicContact OD1-NH1 3.62Å; D535-R581 PolarHBondContact OD1-NH1 3.46Å; D535-R581 IonicContact OD1-NH2 3.52Å; D535-R581 PolarHBondContact OD1-NH2 2.89Å; W538-R581 HydrophobicContact CD2-CB 4.3Å; W538-R581 HydrophobicContact CE3-CB 4.37Å; W538-R581 HydrophobicContact CH2-CB 4.33Å; W538-R581 HydrophobicContact CZ2-CB 4.29Å; W538-R581 HydrophobicContact CZ3-CB 4.41Å; I579-R581 HydrophobicContact CG2-CB 4.15Å; I579-R581 HydrophobicContact CG2-CG 4.07Å; I579-R581 PolarHBondContact O-N 3.45Å; R581-D583 PolarHBondContact O-N 2.82Å | ||
| 582 | S | 56.9 | Low | 70.9 | Confident | 124 Ų | 124 | 44.8 Ų | 44.8 | 87% | 0.867 | 25% | 0.245 | S | C | * | . | trans | -79.9 | 95.8 | 177.4 | 59.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 583 | D | 64.2 | Low | 70.3 | Confident | 42 Ų | 42 | 44.5 Ų | 44.5 | 23% | 0.225 | 24% | 0.244 | C | C | . | . | trans | -108.2 | 126.3 | 175.2 | -156 | -43.3 | 0 | 0 | 0 | 111.2 | W538 L542 R581 F585 L586 S587 | W538-D583 HydrophobicContact CZ2-CB 3.48Å; W538-D583 VanDerWaalsContact CZ2-CB 3.48Å; W538-D583 PolarHBondContact NE1-OD2 3.24Å; L542-D583 WeakPolarHBondContact CD1-OD2 3.28Å; R581-D583 PolarHBondContact O-N 2.82Å; D583-F585 PolarHBondContact O-N 3.47Å; D583-F585 WeakPolarHBondContact OD1-CB 3.49Å; D583-F585 PolarHBondContact OD1-N 3.34Å; D583-L586 HydrophobicContact CB-CB 4.38Å; D583-S587 PolarHBondContact O-N 2.92Å; D583-S587 PolarHBondContact O-OG 3.07Å | ||
| 584 | S | 65.3 | Low | 69.5 | Low | 45 Ų | 45 | 44.7 Ų | 44.7 | 32% | 0.315 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -62.6 | -32.7 | 174.7 | 42.3 | 0 | 0 | 0 | 0 | 111.7 | S587 V588 | S584-S587 WeakPolarHBondContact O-CB 3.34Å; S584-S587 PolarHBondContact O-N 2.98Å; S584-V588 WeakPolarHBondContact O-CG2 2.94Å; S584-V588 PolarHBondContact O-N 3.38Å |
| 585 | F | 65.7 | Low | 68.6 | Low | 84 Ų | 84 | 45.1 Ų | 45.1 | 37% | 0.368 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -68.9 | -45.8 | -178.6 | -169.9 | -108.5 | 0 | 0 | 0 | 111.8 | L542 K546 D583 S587 V588 L589 | L542-F585 HydrophobicContact CB-CD1 4.47Å; L542-F585 HydrophobicContact CD1-CD1 4.43Å; L542-F585 HydrophobicContact CD2-CD1 4.16Å; K546-F585 HydrophobicContact CB-CE1 4.15Å; K546-F585 HydrophobicContact CB-CZ 4.31Å; K546-F585 HydrophobicContact CD-CE1 4.46Å; K546-F585 HydrophobicContact CD-CZ 4.03Å; K546-F585 HydrophobicContact CG-CE1 4.43Å; K546-F585 HydrophobicContact CG-CZ 4.09Å; D583-F585 PolarHBondContact O-N 3.47Å; D583-F585 WeakPolarHBondContact OD1-CB 3.49Å; D583-F585 PolarHBondContact OD1-N 3.34Å; F585-S587 PolarHBondContact O-N 3.38Å; F585-V588 PolarHBondContact O-N 2.9Å; F585-V588 VanDerWaalsContact O-N 3.12Å; F585-L589 HydrophobicContact CD1-CD1 3.86Å; F585-L589 HydrophobicContact CD1-CG 4.27Å; F585-L589 HydrophobicContact CE1-CD1 3.59Å; F585-L589 HydrophobicContact CE1-CD2 4.32Å; F585-L589 HydrophobicContact CE1-CG 4.03Å; F585-L589 HydrophobicContact CZ-CD1 4.32Å; F585-L589 HydrophobicContact CZ-CD2 4.23Å; F585-L589 HydrophobicContact CZ-CG 4.35Å; F585-L589 WeakPolarHBondContact O-CG 3.3Å; F585-L589 PolarHBondContact O-N 3.4Å |
| 586 | L | 73.8 | Confident | 67.7 | Low | 7 Ų | 7 | 44.7 Ų | 44.7 | 4% | 0.037 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -57.3 | -42.9 | 173 | -179 | 59 | 0 | 0 | 0 | 111 | W538 L542 L573 L576 D583 V588 L589 I590 | W538-L586 HydrophobicContact CH2-CB 4.48Å; W538-L586 HydrophobicContact CH2-CD2 3.51Å; W538-L586 HydrophobicContact CZ2-CB 4.27Å; W538-L586 HydrophobicContact CZ2-CD2 4.13Å; W538-L586 HydrophobicContact CZ3-CD2 4.46Å; L542-L586 HydrophobicContact CD2-CB 3.61Å; L542-L586 HydrophobicContact CD2-CD1 4.2Å; L542-L586 HydrophobicContact CD2-CG 4.41Å; L573-L586 HydrophobicContact CD2-CD1 4.18Å; L576-L586 HydrophobicContact CB-CD1 4.29Å; L576-L586 HydrophobicContact CB-CD2 3.78Å; L576-L586 HydrophobicContact CD1-CD1 4.09Å; D583-L586 HydrophobicContact CB-CB 4.38Å; L586-V588 VanDerWaalsContact C-N 3.26Å; L586-V588 PolarHBondContact O-N 3.4Å; L586-L589 PolarHBondContact O-N 3.29Å; L586-L589 VanDerWaalsContact O-N 3.14Å; L586-I590 HydrophobicContact CD1-CD1 4.02Å; L586-I590 HydrophobicContact CD1-CG1 4.05Å; L586-I590 HydrophobicContact CD2-CD1 4.22Å; L586-I590 HydrophobicContact CG-CD1 3.69Å; L586-I590 HydrophobicContact CG-CG1 4.2Å; L586-I590 WeakPolarHBondContact O-CG1 3.46Å; L586-I590 PolarHBondContact O-N 2.69Å |
| 587 | S | 69.2 | Low | 66.9 | Low | 11 Ų | 11 | 45.4 Ų | 45.4 | 8% | 0.077 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -61 | -38 | -179.8 | -55.8 | 0 | 0 | 0 | 0 | 111.4 | D583 S584 F585 L591 V605 | D583-S587 PolarHBondContact O-N 2.92Å; D583-S587 PolarHBondContact O-OG 3.07Å; S584-S587 WeakPolarHBondContact O-CB 3.34Å; S584-S587 PolarHBondContact O-N 2.98Å; F585-S587 PolarHBondContact O-N 3.38Å; S587-L591 WeakPolarHBondContact O-CB 3.34Å; S587-L591 PolarHBondContact O-N 3.19Å; S587-V605 VanDerWaalsContact O-CG1 3.3Å; S587-V605 WeakPolarHBondContact O-CG1 3.46Å |
| 588 | V | 65.7 | Low | 66.3 | Low | 12 Ų | 12 | 49.2 Ų | 49.2 | 7% | 0.073 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -68.4 | -42.1 | 173.3 | 173.1 | 0 | 0 | 0 | 0 | 111.7 | S584 F585 L586 L591 V592 V609 | S584-V588 WeakPolarHBondContact O-CG2 2.94Å; S584-V588 PolarHBondContact O-N 3.38Å; F585-V588 PolarHBondContact O-N 2.9Å; F585-V588 VanDerWaalsContact O-N 3.12Å; L586-V588 VanDerWaalsContact C-N 3.26Å; L586-V588 PolarHBondContact O-N 3.4Å; V588-L591 WeakPolarHBondContact O-CB 3.5Å; V588-L591 PolarHBondContact O-N 3.29Å; V588-V592 HydrophobicContact CG1-CG2 4.5Å; V588-V592 WeakPolarHBondContact O-CG2 3.46Å; V588-V592 PolarHBondContact O-N 3.33Å; V588-V609 HydrophobicContact CG2-CG2 4.37Å |
| 589 | L | 71.1 | Confident | 65.9 | Low | 11 Ų | 11 | 44.7 Ų | 44.7 | 6% | 0.058 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63.2 | -46.8 | 178.3 | -69.2 | 177.6 | 0 | 0 | 0 | 112.9 | A545 K546 V549 F585 L586 L591 V592 Y593 | A545-L589 HydrophobicContact CB-CD1 3.87Å; K546-L589 HydrophobicContact CB-CD1 3.99Å; K546-L589 HydrophobicContact CB-CD2 4.03Å; K546-L589 HydrophobicContact CG-CD2 4.21Å; V549-L589 HydrophobicContact CB-CD2 4.42Å; F585-L589 HydrophobicContact CD1-CD1 3.86Å; F585-L589 HydrophobicContact CD1-CG 4.27Å; F585-L589 HydrophobicContact CE1-CD1 3.59Å; F585-L589 HydrophobicContact CE1-CD2 4.32Å; F585-L589 HydrophobicContact CE1-CG 4.03Å; F585-L589 HydrophobicContact CZ-CD1 4.32Å; F585-L589 HydrophobicContact CZ-CD2 4.23Å; F585-L589 HydrophobicContact CZ-CG 4.35Å; F585-L589 WeakPolarHBondContact O-CG 3.3Å; F585-L589 PolarHBondContact O-N 3.4Å; L586-L589 PolarHBondContact O-N 3.29Å; L586-L589 VanDerWaalsContact O-N 3.14Å; L589-L591 PolarHBondContact O-N 3.03Å; L589-V592 PolarHBondContact O-N 3.01Å; L589-Y593 WeakPolarHBondContact O-CB 3.38Å; L589-Y593 PolarHBondContact O-N 3.44Å |
| 590 | I | 72.6 | Confident | 65.4 | Low | 12 Ų | 12 | 50.6 Ų | 50.6 | 6% | 0.062 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -57.6 | -35.2 | 176.1 | -66.6 | 164.6 | 0 | 0 | 0 | 110.9 | L573 T577 L586 Y593 T594 V605 | L573-I590 HydrophobicContact CB-CG1 4.19Å; L573-I590 HydrophobicContact CD2-CG1 4.19Å; T577-I590 HydrophobicContact CG2-CD1 3.28Å; L586-I590 HydrophobicContact CD1-CD1 4.02Å; L586-I590 HydrophobicContact CD1-CG1 4.05Å; L586-I590 HydrophobicContact CD2-CD1 4.22Å; L586-I590 HydrophobicContact CG-CD1 3.69Å; L586-I590 HydrophobicContact CG-CG1 4.2Å; L586-I590 WeakPolarHBondContact O-CG1 3.46Å; L586-I590 PolarHBondContact O-N 2.69Å; I590-Y593 PolarHBondContact O-N 3.03Å; I590-T594 PolarHBondContact O-N 3.41Å; I590-T594 PolarHBondContact O-OG1 3Å; I590-V605 HydrophobicContact CB-CG1 4.19Å; I590-V605 HydrophobicContact CB-CG2 4.46Å; I590-V605 HydrophobicContact CD1-CG2 4.16Å; I590-V605 HydrophobicContact CG2-CG1 4.1Å; I590-V605 HydrophobicContact CG2-CG2 3.92Å |
| 591 | L | 63.8 | Low | 65.6 | Low | 2 Ų | 2 | 43.4 Ų | 43.4 | 1% | 0.01 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -77 | -39.4 | -175.9 | 170.2 | 133.4 | 0 | 0 | 0 | 111.8 | S587 V588 L589 Y593 T594 R595 M601 V605 V609 M647 | S587-L591 WeakPolarHBondContact O-CB 3.34Å; S587-L591 PolarHBondContact O-N 3.19Å; V588-L591 WeakPolarHBondContact O-CB 3.5Å; V588-L591 PolarHBondContact O-N 3.29Å; L589-L591 PolarHBondContact O-N 3.03Å; L591-Y593 VanDerWaalsContact C-N 3.34Å; L591-T594 VanDerWaalsContact CA-OG1 3.3Å; L591-T594 WeakPolarHBondContact CA-OG1 3.41Å; L591-T594 PolarHBondContact O-OG1 3.42Å; L591-T594 VanDerWaalsContact O-OG1 3.1Å; L591-R595 PolarHBondContact O-N 3.41Å; L591-M601 HydrophobicContact CD1-SD 3.53Å; L591-M601 VanDerWaalsContact CD1-SD 3.53Å; L591-M601 HydrophobicContact CG-SD 4.49Å; L591-V605 HydrophobicContact CB-CG1 4.13Å; L591-V609 HydrophobicContact CD1-CB 4.22Å; L591-V609 HydrophobicContact CD1-CG1 4.21Å; L591-V609 HydrophobicContact CD1-CG2 3.94Å; L591-M647 HydrophobicContact CB-SD 4.47Å; L591-M647 HydrophobicContact CD1-CG 3.7Å; L591-M647 HydrophobicContact CD1-SD 3.53Å; L591-M647 VanDerWaalsContact CD1-SD 3.53Å; L591-M647 HydrophobicContact CD2-CE 3.08Å; L591-M647 HydrophobicContact CD2-CG 3.49Å; L591-M647 VanDerWaalsContact CD2-CG 3.49Å; L591-M647 HydrophobicContact CD2-SD 3.18Å; L591-M647 WeakPolarHBondContact CD2-SD 2.93Å; L591-M647 HydrophobicContact CG-CE 3.62Å; L591-M647 HydrophobicContact CG-CG 3.8Å; L591-M647 HydrophobicContact CG-SD 3.1Å; L591-M647 WeakPolarHBondContact CG-SD 3.42Å |
| 592 | V | 64 | Low | 65.8 | Low | 43 Ų | 43 | 42.9 Ų | 42.9 | 26% | 0.261 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -63 | -42.8 | 167.3 | 175.2 | 0 | 0 | 0 | 0 | 110.6 | V549 V553 V588 L589 R595 I596 | V549-V592 HydrophobicContact CG1-CB 3.81Å; V549-V592 HydrophobicContact CG1-CG1 3.43Å; V549-V592 VanDerWaalsContact CG1-CG1 3.43Å; V553-V592 HydrophobicContact CG2-CG1 4.1Å; V588-V592 HydrophobicContact CG1-CG2 4.5Å; V588-V592 WeakPolarHBondContact O-CG2 3.46Å; V588-V592 PolarHBondContact O-N 3.33Å; L589-V592 PolarHBondContact O-N 3.01Å; V592-R595 VanDerWaalsContact O-CB 3.31Å; V592-R595 WeakPolarHBondContact O-CB 3.38Å; V592-R595 PolarHBondContact O-N 2.84Å; V592-I596 HydrophobicContact CG1-CD1 4.11Å; V592-I596 WeakPolarHBondContact O-CG1 3.48Å; V592-I596 PolarHBondContact O-N 3.37Å |
| 593 | Y | 72.3 | Confident | 66.1 | Low | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -63.4 | -45.2 | 178.9 | 176.4 | -103.9 | 0 | 0 | 0 | 113.5 | L566 V569 D570 L573 L589 I590 L591 R595 I596 A597 | L566-Y593 WeakPolarHBondContact CA-OH 3.38Å; L566-Y593 WeakPolarHBondContact CB-OH 3.32Å; L566-Y593 HydrophobicContact CD2-CE2 3.89Å; L566-Y593 PolarHBondContact O-OH 3.42Å; V569-Y593 HydrophobicContact CB-CD2 4.18Å; V569-Y593 HydrophobicContact CB-CE2 3.6Å; V569-Y593 HydrophobicContact CG1-CD2 3.47Å; V569-Y593 VanDerWaalsContact CG1-CD2 3.47Å; V569-Y593 HydrophobicContact CG1-CE2 3.44Å; V569-Y593 VanDerWaalsContact CG1-CE2 3.44Å; V569-Y593 HydrophobicContact CG1-CG 4.12Å; V569-Y593 HydrophobicContact CG2-CE2 4.42Å; D570-Y593 HydrophobicContact CB-CE1 3.67Å; L573-Y593 VanDerWaalsContact CD1-CB 3.5Å; L573-Y593 HydrophobicContact CD1-CD1 3.4Å; L573-Y593 HydrophobicContact CD1-CD2 4.09Å; L573-Y593 HydrophobicContact CD1-CE1 4.21Å; L573-Y593 HydrophobicContact CD1-CG 3.34Å; L589-Y593 WeakPolarHBondContact O-CB 3.38Å; L589-Y593 PolarHBondContact O-N 3.44Å; I590-Y593 PolarHBondContact O-N 3.03Å; L591-Y593 VanDerWaalsContact C-N 3.34Å; Y593-R595 PolarHBondContact O-N 3.22Å; Y593-I596 PolarHBondContact O-N 2.89Å; Y593-A597 HydrophobicContact CE1-CB 4.2Å; Y593-A597 HydrophobicContact CE2-CB 4.34Å; Y593-A597 WeakPolarHBondContact O-CB 3.45Å; Y593-A597 PolarHBondContact O-N 2.94Å |
| 594 | T | 67.6 | Low | 66.2 | Low | 5 Ų | 5 | 44.9 Ų | 44.9 | 3% | 0.031 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -59.7 | -31.2 | 177.9 | 26.6 | 0 | 0 | 0 | 0 | 112.1 | I590 L591 N598 R599 | I590-T594 PolarHBondContact O-N 3.41Å; I590-T594 PolarHBondContact O-OG1 3Å; L591-T594 VanDerWaalsContact CA-OG1 3.3Å; L591-T594 WeakPolarHBondContact CA-OG1 3.41Å; L591-T594 PolarHBondContact O-OG1 3.42Å; L591-T594 VanDerWaalsContact O-OG1 3.1Å; T594-N598 PolarHBondContact O-N 3.39Å; T594-N598 VanDerWaalsContact O-N 3.15Å; T594-R599 HydrophobicContact CG2-CB 4.23Å; T594-R599 PolarHBondContact O-N 2.97Å |
| 595 | R | 60.9 | Low | 66.2 | Low | 58 Ų | 58 | 43.1 Ų | 43.1 | 22% | 0.219 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -64.4 | -53.4 | 169.7 | -175.7 | 172.1 | -178.1 | 165.7 | -1 | 112.2 | L591 V592 Y593 A597 N598 S646 V650 | L591-R595 PolarHBondContact O-N 3.41Å; V592-R595 VanDerWaalsContact O-CB 3.31Å; V592-R595 WeakPolarHBondContact O-CB 3.38Å; V592-R595 PolarHBondContact O-N 2.84Å; Y593-R595 PolarHBondContact O-N 3.22Å; R595-A597 PolarHBondContact O-N 2.79Å; R595-N598 PolarHBondContact O-N 3.45Å; R595-N598 PolarHBondContact O-OD1 3.12Å; R595-S646 PolarHBondContact NH1-O 3.45Å; R595-S646 PolarHBondContact NH1-OG 3.17Å; R595-S646 VanDerWaalsContact NH1-OG 3.09Å; R595-V650 HydrophobicContact CB-CG1 4.16Å; R595-V650 HydrophobicContact CB-CG2 3.69Å; R595-V650 HydrophobicContact CG-CG2 3.51Å |
| 596 | I | 63.7 | Low | 66 | Low | 19 Ų | 19 | 39.1 Ų | 39.1 | 10% | 0.097 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -59.5 | -41 | -177.1 | -60.4 | 164.1 | 0 | 0 | 0 | 110.6 | V549 C552 V553 W558 L566 V592 Y593 N598 | V549-I596 HydrophobicContact CG1-CD1 4.35Å; C552-I596 HydrophobicContact CB-CD1 3.45Å; C552-I596 VanDerWaalsContact CB-CD1 3.45Å; C552-I596 HydrophobicContact CB-CG2 3.99Å; V553-I596 HydrophobicContact CG2-CD1 3.38Å; V553-I596 HydrophobicContact CG2-CG1 4.19Å; W558-I596 HydrophobicContact CB-CG2 3.91Å; L566-I596 HydrophobicContact CD2-CG2 4.5Å; V592-I596 HydrophobicContact CG1-CD1 4.11Å; V592-I596 WeakPolarHBondContact O-CG1 3.48Å; V592-I596 PolarHBondContact O-N 3.37Å; Y593-I596 PolarHBondContact O-N 2.89Å; I596-N598 PolarHBondContact O-N 3.43Å |
| 597 | A | 66.5 | Low | 65.6 | Low | 17 Ų | 17 | 44.7 Ų | 44.7 | 14% | 0.14 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | -2.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | L566 Y593 R595 R599 | L566-A597 HydrophobicContact CD1-CB 4.41Å; L566-A597 HydrophobicContact CD2-CB 4.41Å; Y593-A597 HydrophobicContact CE1-CB 4.2Å; Y593-A597 HydrophobicContact CE2-CB 4.34Å; Y593-A597 WeakPolarHBondContact O-CB 3.45Å; Y593-A597 PolarHBondContact O-N 2.94Å; R595-A597 PolarHBondContact O-N 2.79Å; A597-R599 VanDerWaalsContact C-N 3.26Å; A597-R599 HydrophobicContact CB-CG 3.8Å; A597-R599 WeakPolarHBondContact O-CG 3.45Å; A597-R599 PolarHBondContact O-N 2.7Å |
| 598 | N | 63.3 | Low | 65.4 | Low | 130 Ų | 130 | 46.5 Ų | 46.5 | 70% | 0.695 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 48 | 44.6 | -173 | -76.7 | -30.7 | 0 | 0 | 0 | 113.1 | T594 R595 I596 | T594-N598 PolarHBondContact O-N 3.39Å; T594-N598 VanDerWaalsContact O-N 3.15Å; R595-N598 PolarHBondContact O-N 3.45Å; R595-N598 PolarHBondContact O-OD1 3.12Å; I596-N598 PolarHBondContact O-N 3.43Å |
| 599 | R | 63.5 | Low | 65.3 | Low | 76 Ų | 76 | 46.1 Ų | 46.1 | 29% | 0.287 | 23% | 0.231 | S | C | . | . | trans | -104.3 | 157.5 | -179 | -64.5 | -179.5 | -172.9 | -159.8 | 1.8 | 111.8 | D570 T594 A597 M601 | D570-R599 VanDerWaalsContact CB-NH1 3.26Å; D570-R599 IonicContact OD1-NH1 3.92Å; D570-R599 PolarHBondContact OD1-NH1 3.46Å; D570-R599 IonicContact OD2-CZ 3.65Å; D570-R599 IonicContact OD2-NH1 3.91Å; D570-R599 PolarHBondContact OD2-NH1 3.14Å; T594-R599 HydrophobicContact CG2-CB 4.23Å; T594-R599 PolarHBondContact O-N 2.97Å; A597-R599 VanDerWaalsContact C-N 3.26Å; A597-R599 HydrophobicContact CB-CG 3.8Å; A597-R599 WeakPolarHBondContact O-CG 3.45Å; A597-R599 PolarHBondContact O-N 2.7Å; R599-M601 PolarHBondContact O-N 2.79Å | ||
| 600 | T | 59.6 | Low | 64.9 | Low | 131 Ų | 131 | 46.1 Ų | 46.1 | 80% | 0.804 | 23% | 0.231 | S | C | * | . | P | Polyproline II helix | trans | -70.3 | 123.3 | 174.4 | 47.8 | 0 | 0 | 0 | 0 | 111.8 | ||
| 601 | M | 64.9 | Low | 64.5 | Low | 10 Ų | 10 | 49.7 Ų | 49.7 | 5% | 0.049 | 25% | 0.25 | C | S | . | . | P | Polyproline II helix | trans | -63 | 128.3 | -179.1 | -177.3 | -178.6 | 61 | 0 | 0 | 113.2 | L591 R599 A606 A651 Y655 F659 | L591-M601 HydrophobicContact CD1-SD 3.53Å; L591-M601 VanDerWaalsContact CD1-SD 3.53Å; L591-M601 HydrophobicContact CG-SD 4.49Å; R599-M601 PolarHBondContact O-N 2.79Å; M601-A606 HydrophobicContact CE-CB 3.11Å; M601-A606 HydrophobicContact CG-CB 4.37Å; M601-A606 HydrophobicContact SD-CB 3.81Å; M601-A651 HydrophobicContact CE-CB 3.53Å; M601-Y655 HydrophobicContact CE-CD2 3.97Å; M601-Y655 HydrophobicContact CE-CG 4.28Å; M601-F659 HydrophobicContact CE-CE2 4.26Å |
| 602 | P | 66.5 | Low | 64.5 | Low | 62 Ų | 62 | 51.8 Ų | 51.8 | 40% | 0.403 | 26% | 0.259 | S | S | . | . | P | Polyproline II helix | trans | -62.6 | 138 | 174.8 | -22.2 | 32.4 | 0 | 0 | 0 | 113.4 | K604 V605 A606 | P602-K604 VanDerWaalsContact C-N 3.28Å; P602-K604 PolarHBondContact O-N 3.43Å; P602-V605 HydrophobicContact CB-CG2 4.15Å; P602-V605 HydrophobicContact CG-CG2 4.35Å; P602-V605 PolarHBondContact O-N 3.32Å; P602-A606 PolarHBondContact O-N 3.17Å; P602-A606 VanDerWaalsContact O-N 3.14Å |
| 603 | E | 64.8 | Low | 64.3 | Low | 87 Ų | 87 | 50 Ų | 50 | 41% | 0.407 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -57.8 | -34.3 | -175.9 | -72.2 | -149.9 | 153.2 | 0 | 0 | 114.7 | A606 R607 K654 Y655 | E603-A606 WeakPolarHBondContact O-CB 3.43Å; E603-R607 WeakPolarHBondContact O-CB 3.36Å; E603-R607 PolarHBondContact O-N 2.87Å; E603-K654 VanDerWaalsContact CD-NZ 3.31Å; E603-K654 WeakPolarHBondContact OE1-CD 3.3Å; E603-K654 IonicContact OE1-NZ 3.24Å; E603-K654 PolarHBondContact OE1-NZ 3.26Å; E603-K654 IonicContact OE2-NZ 3.72Å; E603-K654 PolarHBondContact OE2-NZ 2.85Å; E603-K654 VanDerWaalsContact OE2-NZ 3.14Å; E603-Y655 HydrophobicContact CB-CE2 4.28Å; E603-Y655 VanDerWaalsContact CB-OH 3.31Å; E603-Y655 WeakPolarHBondContact CB-OH 3.33Å; E603-Y655 HydrophobicContact CG-CE2 4.08Å; E603-Y655 PolarHBondContact O-OH 2.87Å |
| 604 | K | 66 | Low | 63.7 | Low | 121 Ų | 121 | 52.3 Ų | 52.3 | 53% | 0.526 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -66.1 | -50.1 | 179.4 | -174.3 | -176.3 | 173.7 | -169.8 | 0 | 110.7 | P602 A606 R607 D608 | P602-K604 VanDerWaalsContact C-N 3.28Å; P602-K604 PolarHBondContact O-N 3.43Å; K604-A606 VanDerWaalsContact C-N 3.33Å; K604-A606 PolarHBondContact O-N 3.16Å; K604-R607 WeakPolarHBondContact O-CB 3.37Å; K604-R607 PolarHBondContact O-N 3.02Å; K604-R607 VanDerWaalsContact O-N 3.11Å; K604-D608 VanDerWaalsContact O-CG 3.3Å; K604-D608 PolarHBondContact O-N 3.03Å |
| 605 | V | 64.3 | Low | 63.3 | Low | 8 Ų | 8 | 59.6 Ų | 59.6 | 5% | 0.048 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -58.9 | -45.6 | 179 | 178.5 | 0 | 0 | 0 | 0 | 110.8 | S587 I590 L591 P602 R607 D608 V609 | S587-V605 VanDerWaalsContact O-CG1 3.3Å; S587-V605 WeakPolarHBondContact O-CG1 3.46Å; I590-V605 HydrophobicContact CB-CG1 4.19Å; I590-V605 HydrophobicContact CB-CG2 4.46Å; I590-V605 HydrophobicContact CD1-CG2 4.16Å; I590-V605 HydrophobicContact CG2-CG1 4.1Å; I590-V605 HydrophobicContact CG2-CG2 3.92Å; L591-V605 HydrophobicContact CB-CG1 4.13Å; P602-V605 HydrophobicContact CB-CG2 4.15Å; P602-V605 HydrophobicContact CG-CG2 4.35Å; P602-V605 PolarHBondContact O-N 3.32Å; V605-R607 VanDerWaalsContact C-N 3.31Å; V605-R607 PolarHBondContact O-N 3.03Å; V605-D608 PolarHBondContact O-N 2.62Å; V605-V609 WeakPolarHBondContact O-CG2 3.39Å; V605-V609 PolarHBondContact O-N 3.15Å |
| 606 | A | 62 | Low | 63 | Low | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -52.2 | -50.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | M601 P602 E603 K604 I610 Y655 | M601-A606 HydrophobicContact CE-CB 3.11Å; M601-A606 HydrophobicContact CG-CB 4.37Å; M601-A606 HydrophobicContact SD-CB 3.81Å; P602-A606 PolarHBondContact O-N 3.17Å; P602-A606 VanDerWaalsContact O-N 3.14Å; E603-A606 WeakPolarHBondContact O-CB 3.43Å; K604-A606 VanDerWaalsContact C-N 3.33Å; K604-A606 PolarHBondContact O-N 3.16Å; A606-I610 WeakPolarHBondContact O-CB 3.46Å; A606-I610 VanDerWaalsContact O-CD1 3.24Å; A606-I610 WeakPolarHBondContact O-CD1 3.22Å; A606-I610 WeakPolarHBondContact O-CG1 3.32Å; A606-I610 PolarHBondContact O-N 3.21Å; A606-Y655 HydrophobicContact CB-CD1 3.85Å; A606-Y655 HydrophobicContact CB-CD2 3.46Å; A606-Y655 VanDerWaalsContact CB-CD2 3.46Å; A606-Y655 HydrophobicContact CB-CE1 3.85Å; A606-Y655 HydrophobicContact CB-CE2 3.48Å; A606-Y655 VanDerWaalsContact CB-CE2 3.48Å; A606-Y655 HydrophobicContact CB-CG 3.66Å |
| 607 | R | 64.5 | Low | 62.5 | Low | 123 Ų | 123 | 65.4 Ų | 65.4 | 46% | 0.464 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -66.1 | -41.2 | -177.3 | -168.5 | -172 | -53.9 | 164.8 | 4.2 | 111.5 | E603 K604 V605 I610 N611 | E603-R607 WeakPolarHBondContact O-CB 3.36Å; E603-R607 PolarHBondContact O-N 2.87Å; K604-R607 WeakPolarHBondContact O-CB 3.37Å; K604-R607 PolarHBondContact O-N 3.02Å; K604-R607 VanDerWaalsContact O-N 3.11Å; V605-R607 VanDerWaalsContact C-N 3.31Å; V605-R607 PolarHBondContact O-N 3.03Å; R607-I610 PolarHBondContact O-N 3.45Å; R607-N611 VanDerWaalsContact O-CB 3.31Å; R607-N611 WeakPolarHBondContact O-CB 3.41Å; R607-N611 PolarHBondContact O-N 3.48Å; R607-N611 PolarHBondContact O-ND2 2.75Å |
| 608 | D | 65 | Low | 61.7 | Low | 50 Ų | 50 | 72.5 Ų | 72.5 | 27% | 0.267 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -69.3 | -42.9 | -178 | -66.6 | -18.8 | 0 | 0 | 0 | 111.3 | K604 V605 N611 F612 | K604-D608 VanDerWaalsContact O-CG 3.3Å; K604-D608 PolarHBondContact O-N 3.03Å; V605-D608 PolarHBondContact O-N 2.62Å; D608-N611 PolarHBondContact O-N 3.41Å; D608-F612 WeakPolarHBondContact O-CB 3.33Å; D608-F612 PolarHBondContact O-N 3.41Å |
| 609 | V | 64.2 | Low | 60.8 | Low | 4 Ų | 4 | 68.1 Ų | 68.1 | 2% | 0.024 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -63.3 | -45.7 | 172.6 | 175.5 | 0 | 0 | 0 | 0 | 110.8 | V588 L591 V605 N611 F612 L613 F659 | V588-V609 HydrophobicContact CG2-CG2 4.37Å; L591-V609 HydrophobicContact CD1-CB 4.22Å; L591-V609 HydrophobicContact CD1-CG1 4.21Å; L591-V609 HydrophobicContact CD1-CG2 3.94Å; V605-V609 WeakPolarHBondContact O-CG2 3.39Å; V605-V609 PolarHBondContact O-N 3.15Å; V609-N611 VanDerWaalsContact C-N 3.32Å; V609-N611 PolarHBondContact O-N 2.99Å; V609-F612 WeakPolarHBondContact O-CB 3.15Å; V609-F612 PolarHBondContact O-N 3.02Å; V609-L613 HydrophobicContact CG1-CD1 4.02Å; V609-L613 HydrophobicContact CG1-CG 4.21Å; V609-L613 VanDerWaalsContact O-CG 3.26Å; V609-L613 WeakPolarHBondContact O-CG 3.03Å; V609-L613 PolarHBondContact O-N 3.12Å; V609-F659 HydrophobicContact CG1-CE1 4.2Å; V609-F659 HydrophobicContact CG1-CZ 4.46Å |
| 610 | I | 62.5 | Low | 59.5 | Low | 11 Ų | 11 | 70.9 Ų | 70.9 | 6% | 0.056 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -58.8 | -44.4 | 175.6 | -74.5 | 160.4 | 0 | 0 | 0 | 111.2 | A606 R607 F612 L613 V614 Y655 K658 F659 | A606-I610 WeakPolarHBondContact O-CB 3.46Å; A606-I610 VanDerWaalsContact O-CD1 3.24Å; A606-I610 WeakPolarHBondContact O-CD1 3.22Å; A606-I610 WeakPolarHBondContact O-CG1 3.32Å; A606-I610 PolarHBondContact O-N 3.21Å; R607-I610 PolarHBondContact O-N 3.45Å; I610-F612 VanDerWaalsContact C-N 3.34Å; I610-F612 PolarHBondContact O-N 3.28Å; I610-L613 PolarHBondContact O-N 3.22Å; I610-V614 HydrophobicContact CG2-CG2 4.28Å; I610-V614 WeakPolarHBondContact O-CB 3.29Å; I610-V614 WeakPolarHBondContact O-CG2 3.47Å; I610-V614 PolarHBondContact O-N 2.96Å; I610-Y655 HydrophobicContact CD1-CD1 3.41Å; I610-Y655 VanDerWaalsContact CD1-CD1 3.41Å; I610-Y655 HydrophobicContact CD1-CE1 4.28Å; I610-Y655 HydrophobicContact CD1-CG 4.05Å; I610-K658 HydrophobicContact CD1-CB 4.06Å; I610-K658 HydrophobicContact CD1-CD 3.75Å; I610-K658 HydrophobicContact CD1-CG 4.48Å; I610-K658 HydrophobicContact CG1-CB 4.36Å; I610-K658 HydrophobicContact CG1-CD 4.44Å; I610-K658 HydrophobicContact CG2-CD 3.83Å; I610-F659 HydrophobicContact CD1-CE2 4.26Å; I610-F659 HydrophobicContact CD1-CZ 4.21Å; I610-F659 HydrophobicContact CG1-CE1 4.01Å; I610-F659 HydrophobicContact CG1-CE2 4.32Å; I610-F659 HydrophobicContact CG1-CZ 3.82Å |
| 611 | N | 64.4 | Low | 58.1 | Low | 87 Ų | 87 | 68.1 Ų | 68.1 | 47% | 0.465 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -64 | -40.4 | 178.6 | -74.8 | -19 | 0 | 0 | 0 | 111.5 | R607 D608 V609 V614 K615 | R607-N611 VanDerWaalsContact O-CB 3.31Å; R607-N611 WeakPolarHBondContact O-CB 3.41Å; R607-N611 PolarHBondContact O-N 3.48Å; R607-N611 PolarHBondContact O-ND2 2.75Å; D608-N611 PolarHBondContact O-N 3.41Å; V609-N611 VanDerWaalsContact C-N 3.32Å; V609-N611 PolarHBondContact O-N 2.99Å; N611-V614 PolarHBondContact O-N 3.44Å; N611-K615 VanDerWaalsContact O-CB 3.26Å; N611-K615 WeakPolarHBondContact O-CB 3.46Å; N611-K615 PolarHBondContact O-N 3.1Å |
| 612 | F | 64.5 | Low | 56.5 | Low | 45 Ų | 45 | 73.6 Ų | 73.6 | 20% | 0.197 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -61.4 | -50.9 | 174 | 169.9 | -100.5 | 0 | 0 | 0 | 111.4 | D608 V609 I610 V614 K615 E616 W643 | D608-F612 WeakPolarHBondContact O-CB 3.33Å; D608-F612 PolarHBondContact O-N 3.41Å; V609-F612 WeakPolarHBondContact O-CB 3.15Å; V609-F612 PolarHBondContact O-N 3.02Å; I610-F612 VanDerWaalsContact C-N 3.34Å; I610-F612 PolarHBondContact O-N 3.28Å; F612-V614 VanDerWaalsContact C-N 3.29Å; F612-V614 PolarHBondContact O-N 3.08Å; F612-K615 PolarHBondContact O-N 3.18Å; F612-K615 VanDerWaalsContact O-N 3.07Å; F612-E616 HydrophobicContact CD2-CG 4.22Å; F612-E616 HydrophobicContact CE1-CG 4.09Å; F612-E616 HydrophobicContact CE2-CG 3.72Å; F612-E616 HydrophobicContact CZ-CG 3.64Å; F612-E616 PolarHBondContact O-N 3.29Å; F612-W643 AromaticContact CE1-CZ3 3.91Å; F612-W643 HydrophobicContact CE1-CZ3 3.91Å |
| 613 | L | 60.3 | Low | 54.7 | Low | 5 Ų | 5 | 79.8 Ų | 79.8 | 3% | 0.026 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -59.1 | -40.1 | 176.2 | -64.9 | 175.5 | 0 | 0 | 0 | 111.7 | V609 I610 K617 L640 W643 F659 | V609-L613 HydrophobicContact CG1-CD1 4.02Å; V609-L613 HydrophobicContact CG1-CG 4.21Å; V609-L613 VanDerWaalsContact O-CG 3.26Å; V609-L613 WeakPolarHBondContact O-CG 3.03Å; V609-L613 PolarHBondContact O-N 3.12Å; I610-L613 PolarHBondContact O-N 3.22Å; L613-K617 WeakPolarHBondContact O-CB 3.41Å; L613-K617 PolarHBondContact O-N 3.19Å; L613-L640 HydrophobicContact CD2-CD2 3.24Å; L613-L640 HydrophobicContact CD2-CG 4.47Å; L613-W643 HydrophobicContact CD2-CE3 4.5Å; L613-F659 HydrophobicContact CD1-CD1 3.97Å; L613-F659 HydrophobicContact CD1-CE1 3.71Å |
| 614 | V | 59.7 | Low | 53 | Low | 50 Ų | 50 | 84.6 Ų | 84.6 | 30% | 0.303 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -68.4 | -36.2 | 176 | 169.7 | 0 | 0 | 0 | 0 | 111.8 | I610 N611 F612 K618 | I610-V614 HydrophobicContact CG2-CG2 4.28Å; I610-V614 WeakPolarHBondContact O-CB 3.29Å; I610-V614 WeakPolarHBondContact O-CG2 3.47Å; I610-V614 PolarHBondContact O-N 2.96Å; N611-V614 PolarHBondContact O-N 3.44Å; F612-V614 VanDerWaalsContact C-N 3.29Å; F612-V614 PolarHBondContact O-N 3.08Å; V614-K618 HydrophobicContact CG1-CD 4.22Å; V614-K618 WeakPolarHBondContact O-CB 3.27Å; V614-K618 WeakPolarHBondContact O-CG 3.34Å; V614-K618 PolarHBondContact O-N 3.35Å |
| 615 | K | 57.7 | Low | 51.2 | Low | 158 Ų | 158 | 88 Ų | 88 | 69% | 0.687 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -71.1 | -47.1 | 178.3 | -171.4 | -176.2 | 177.2 | -170.4 | 0 | 111.3 | N611 F612 K617 K618 G619 | N611-K615 VanDerWaalsContact O-CB 3.26Å; N611-K615 WeakPolarHBondContact O-CB 3.46Å; N611-K615 PolarHBondContact O-N 3.1Å; F612-K615 PolarHBondContact O-N 3.18Å; F612-K615 VanDerWaalsContact O-N 3.07Å; K615-K617 PolarHBondContact O-N 3.17Å; K615-K618 CarbonylContact O-C 3.57Å; K615-K618 PolarHBondContact O-N 3.36Å; K615-G619 PolarHBondContact O-N 3.45Å |
| 616 | E | 55.4 | Low | 49.7 | Very low | 86 Ų | 86 | 91.1 Ų | 91.1 | 40% | 0.402 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -57.8 | -40.1 | 172.4 | -75.3 | -59.9 | 132.8 | 0 | 0 | 111 | F612 K618 G619 L640 | F612-E616 HydrophobicContact CD2-CG 4.22Å; F612-E616 HydrophobicContact CE1-CG 4.09Å; F612-E616 HydrophobicContact CE2-CG 3.72Å; F612-E616 HydrophobicContact CZ-CG 3.64Å; F612-E616 PolarHBondContact O-N 3.29Å; E616-K618 PolarHBondContact O-N 3.06Å; E616-G619 PolarHBondContact O-N 3.45Å; E616-L640 HydrophobicContact CB-CD1 4.48Å; E616-L640 HydrophobicContact CB-CD2 4.26Å |
| 617 | K | 54 | Low | 48.1 | Very low | 113 Ų | 113 | 100.9 Ų | 100.9 | 49% | 0.491 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.6 | -33.6 | 173 | -179.1 | -174.9 | 177.6 | -172.2 | 0 | 114 | L613 K615 | L613-K617 WeakPolarHBondContact O-CB 3.41Å; L613-K617 PolarHBondContact O-N 3.19Å; K615-K617 PolarHBondContact O-N 3.17Å |
| 618 | K | 49.6 | Very low | 46.5 | Very low | 165 Ų | 165 | 97.9 Ų | 97.9 | 72% | 0.717 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.2 | 7.5 | 179.3 | -74.4 | -175.5 | -178.9 | -176.5 | 0 | 113.5 | V614 K615 E616 | V614-K618 HydrophobicContact CG1-CD 4.22Å; V614-K618 WeakPolarHBondContact O-CB 3.27Å; V614-K618 WeakPolarHBondContact O-CG 3.34Å; V614-K618 PolarHBondContact O-N 3.35Å; K615-K618 CarbonylContact O-C 3.57Å; K615-K618 PolarHBondContact O-N 3.36Å; E616-K618 PolarHBondContact O-N 3.06Å |
| 619 | G | 43 | Very low | 45 | Very low | 39 Ų | 39 | 105 Ų | 105 | 40% | 0.402 | 56% | 0.557 | S | S | . | * | trans | -47.2 | 149 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | K615 E616 C621 | K615-G619 PolarHBondContact O-N 3.45Å; E616-G619 PolarHBondContact O-N 3.45Å; G619-C621 PolarHBondContact O-N 3.02Å | ||
| 620 | P | 37.3 | Very low | 43.6 | Very low | 134 Ų | 134 | 111.1 Ų | 111.1 | 87% | 0.87 | 59% | 0.589 | S | S | * | * | S | Bend | trans | -63.8 | 104.4 | -153.8 | 27.7 | -34.4 | 0 | 0 | 0 | 111.5 | ||
| 621 | C | 28.8 | Very low | 42.5 | Very low | 72 Ų | 72 | 116.6 Ų | 116.6 | 49% | 0.486 | 61% | 0.61 | S | S | . | * | trans | -128.3 | 107.4 | 165 | -113.7 | 0 | 0 | 0 | 0 | 107.8 | G619 Q623 N630 | G619-C621 PolarHBondContact O-N 3.02Å; C621-Q623 PolarHBondContact O-N 3.39Å; C621-N630 PolarHBondContact SG-O 3.22Å | ||
| 622 | P | 32 | Very low | 41.5 | Very low | 125 Ų | 125 | 115.7 Ų | 115.7 | 81% | 0.812 | 61% | 0.609 | S | S | * | * | trans | -64.6 | 114.9 | 179.7 | 25.1 | -29.1 | 0 | 0 | 0 | 108.6 | K624 | P622-K624 VanDerWaalsContact C-N 3.29Å; P622-K624 PolarHBondContact O-N 2.97Å | ||
| 623 | Q | 28.7 | Very low | 40.7 | Very low | 193 Ų | 193 | 118.9 Ų | 118.9 | 90% | 0.902 | 63% | 0.628 | S | S | * | * | trans | -67.7 | 80.8 | 176.7 | -68 | 179.4 | -14.6 | 0 | 0 | 110.5 | C621 | C621-Q623 PolarHBondContact O-N 3.39Š| ||
| 624 | K | 29.2 | Very low | 39.9 | Very low | 188 Ų | 188 | 123.3 Ų | 123.3 | 82% | 0.817 | 65% | 0.65 | S | S | * | * | trans | -145.1 | 118.5 | 156.9 | -73.3 | -164.9 | 177.9 | 177.5 | 0 | 110 | P622 | P622-K624 VanDerWaalsContact C-N 3.29Å; P622-K624 PolarHBondContact O-N 2.97Å | ||
| 625 | E | 28.8 | Very low | 39.2 | Very low | 193 Ų | 193 | 126.4 Ų | 126.4 | 90% | 0.902 | 66% | 0.664 | S | S | * | * | S | Bend | trans | 75.1 | 113.8 | 162.1 | -59.5 | 178.9 | -179.7 | 0 | 0 | 118.3 | ||
| 626 | G | 31.3 | Very low | 38.6 | Very low | 73 Ų | 73 | 121.3 Ų | 121.3 | 75% | 0.753 | 65% | 0.647 | S | S | * | * | trans | 77.5 | 112.3 | 153.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | G628 | G626-G628 PolarHBondContact O-N 2.82Š| ||
| 627 | F | 29.6 | Very low | 38.4 | Very low | 205 Ų | 205 | 117.4 Ų | 117.4 | 90% | 0.899 | 63% | 0.628 | S | S | * | * | S | Bend | trans | -56.8 | 101.7 | 170.7 | -75.1 | -91.1 | 0 | 0 | 0 | 110.9 | ||
| 628 | G | 30.6 | Very low | 38.3 | Very low | 59 Ų | 59 | 115.7 Ų | 115.7 | 61% | 0.608 | 62% | 0.622 | S | S | * | * | trans | 178.1 | 109.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | G626 | G626-G628 PolarHBondContact O-N 2.82Š| ||
| 629 | K | 33.1 | Very low | 38.5 | Very low | 199 Ų | 199 | 111 Ų | 111 | 87% | 0.865 | 61% | 0.605 | S | S | * | * | S | Bend | trans | 99.2 | -4.8 | 151.5 | -62.6 | -171.6 | 173.9 | -176.6 | 0 | 122.8 | ||
| 630 | N | 34.8 | Very low | 39.1 | Very low | 134 Ų | 134 | 109.8 Ų | 109.8 | 72% | 0.717 | 59% | 0.589 | S | S | * | * | trans | -120.1 | 58.7 | 177.3 | -69.2 | -7.5 | 0 | 0 | 0 | 113.7 | C621 | C621-N630 PolarHBondContact SG-O 3.22Š| ||
| 631 | Y | 40.3 | Very low | 40.1 | Very low | 125 Ų | 125 | 103.4 Ų | 103.4 | 49% | 0.49 | 55% | 0.547 | S | S | . | . | P | Polyproline II helix | trans | -91.4 | 146 | 169 | -81.6 | -89.5 | 0 | 0 | 0 | 111 | K670 | Y631-K670 VanDerWaalsContact CB-NZ 3.29Š|
| 632 | P | 43.4 | Very low | 41.4 | Very low | 69 Ų | 69 | 103.6 Ų | 103.6 | 45% | 0.448 | 54% | 0.541 | S | S | . | . | P | Polyproline II helix | trans | -56.9 | 151.1 | 177.9 | 21.8 | -32.1 | 0 | 0 | 0 | 112.4 | K670 | P632-K670 PolarHBondContact O-NZ 3.38Š|
| 633 | D | 47.9 | Very low | 42.7 | Very low | 111 Ų | 111 | 101.5 Ų | 101.5 | 59% | 0.594 | 52% | 0.517 | S | S | * | . | P | Polyproline II helix | trans | -51 | 142.2 | -176.6 | -169.7 | 2.1 | 0 | 0 | 0 | 111.6 | L635 T636 C637 | D633-L635 PolarHBondContact O-N 3.32Å; D633-T636 WeakPolarHBondContact O-CB 3.46Å; D633-T636 PolarHBondContact O-N 3.24Å; D633-T636 VanDerWaalsContact O-N 3.11Å; D633-C637 PolarHBondContact O-N 2.86Å; D633-C637 VanDerWaalsContact O-N 3.16Å |
| 634 | M | 43.2 | Very low | 44.4 | Very low | 98 Ų | 98 | 92.3 Ų | 92.3 | 48% | 0.483 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -59 | -35.1 | -173.6 | -155.9 | -178.7 | -117 | 0 | 0 | 111.6 | C637 Q638 R674 | M634-C637 PolarHBondContact O-N 3.46Å; M634-Q638 WeakPolarHBondContact O-CB 3.4Å; M634-Q638 PolarHBondContact O-N 2.94Å; M634-R674 PolarHBondContact SD-NH2 2.98Å |
| 635 | L | 43.5 | Very low | 45.8 | Very low | 115 Ų | 115 | 84 Ų | 84 | 60% | 0.602 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -64.7 | -41.7 | 177.4 | -127.3 | 143.3 | 0 | 0 | 0 | 111.8 | D633 Q638 L639 | D633-L635 PolarHBondContact O-N 3.32Å; L635-Q638 PolarHBondContact O-N 3.44Å; L635-L639 HydrophobicContact CD2-CD1 4.25Å; L635-L639 PolarHBondContact O-N 3.16Å; L635-L639 VanDerWaalsContact O-N 3.1Å |
| 636 | T | 46.4 | Very low | 47.2 | Very low | 52 Ų | 52 | 76.6 Ų | 76.6 | 32% | 0.319 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -65.7 | -43.1 | 175.4 | -41.3 | 0 | 0 | 0 | 0 | 111.1 | D633 Q638 L639 L640 | D633-T636 WeakPolarHBondContact O-CB 3.46Å; D633-T636 PolarHBondContact O-N 3.24Å; D633-T636 VanDerWaalsContact O-N 3.11Å; T636-Q638 VanDerWaalsContact C-N 3.34Å; T636-Q638 PolarHBondContact O-N 2.91Å; T636-L639 PolarHBondContact O-N 3.12Å; T636-L640 HydrophobicContact CG2-CD1 4.32Å; T636-L640 WeakPolarHBondContact O-CG 3.4Å; T636-L640 PolarHBondContact O-N 3.02Å |
| 637 | C | 50.3 | Low | 48.6 | Very low | 3 Ų | 3 | 73.4 Ų | 73.4 | 2% | 0.02 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -63.7 | -37.5 | 176.3 | -70.6 | 0 | 0 | 0 | 0 | 112.8 | D633 M634 F641 F675 | D633-C637 PolarHBondContact O-N 2.86Å; D633-C637 VanDerWaalsContact O-N 3.16Å; M634-C637 PolarHBondContact O-N 3.46Å; C637-F641 WeakPolarHBondContact O-CB 3.39Å; C637-F641 PolarHBondContact O-N 3.48Å; C637-F675 HydrophobicContact CB-CZ 4.3Å |
| 638 | Q | 53 | Low | 50.2 | Low | 77 Ų | 77 | 63.7 Ų | 63.7 | 36% | 0.36 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -65.3 | -48.2 | 177.7 | -175.6 | 173.4 | -12.1 | 0 | 0 | 111.3 | M634 L635 T636 L640 F641 E642 | M634-Q638 WeakPolarHBondContact O-CB 3.4Å; M634-Q638 PolarHBondContact O-N 2.94Å; L635-Q638 PolarHBondContact O-N 3.44Å; T636-Q638 VanDerWaalsContact C-N 3.34Å; T636-Q638 PolarHBondContact O-N 2.91Å; Q638-L640 PolarHBondContact O-N 2.88Å; Q638-F641 PolarHBondContact O-N 3.46Å; Q638-E642 HydrophobicContact CG-CG 4.37Å; Q638-E642 WeakPolarHBondContact CG-OE1 3.42Å; Q638-E642 PolarHBondContact NE2-OE1 3.19Å; Q638-E642 WeakPolarHBondContact O-CB 3.3Å; Q638-E642 WeakPolarHBondContact O-CG 3.44Å; Q638-E642 PolarHBondContact O-N 2.97Å |
| 639 | L | 53.4 | Low | 51.6 | Low | 66 Ų | 66 | 62.3 Ų | 62.3 | 35% | 0.346 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -57.8 | -47 | 174.9 | -88.3 | 150.5 | 0 | 0 | 0 | 112.2 | L635 T636 F641 E642 W643 | L635-L639 HydrophobicContact CD2-CD1 4.25Å; L635-L639 PolarHBondContact O-N 3.16Å; L635-L639 VanDerWaalsContact O-N 3.1Å; T636-L639 PolarHBondContact O-N 3.12Å; L639-F641 VanDerWaalsContact C-N 3.28Å; L639-F641 PolarHBondContact O-N 2.99Å; L639-E642 PolarHBondContact O-N 3.48Å; L639-W643 HydrophobicContact CD2-CH2 4.23Å; L639-W643 HydrophobicContact CD2-CZ2 3.5Å; L639-W643 VanDerWaalsContact CD2-CZ2 3.5Å; L639-W643 WeakPolarHBondContact O-CB 3.45Å; L639-W643 PolarHBondContact O-N 3.34Å |
| 640 | L | 55.5 | Low | 52.7 | Low | 14 Ų | 14 | 54.1 Ų | 54.1 | 7% | 0.073 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -59.9 | -38.2 | 177.5 | -69.1 | 170 | 0 | 0 | 0 | 112.3 | L613 E616 T636 Q638 S644 L666 | L613-L640 HydrophobicContact CD2-CD2 3.24Å; L613-L640 HydrophobicContact CD2-CG 4.47Å; E616-L640 HydrophobicContact CB-CD1 4.48Å; E616-L640 HydrophobicContact CB-CD2 4.26Å; T636-L640 HydrophobicContact CG2-CD1 4.32Å; T636-L640 WeakPolarHBondContact O-CG 3.4Å; T636-L640 PolarHBondContact O-N 3.02Å; Q638-L640 PolarHBondContact O-N 2.88Å; L640-S644 WeakPolarHBondContact O-CB 3.5Å; L640-S644 PolarHBondContact O-N 2.81Å; L640-S644 PolarHBondContact O-OG 2.68Å; L640-L666 HydrophobicContact CB-CD1 4.11Å |
| 641 | F | 58 | Low | 54 | Low | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -72.7 | -48.1 | 178.7 | -170.7 | -76.6 | 0 | 0 | 0 | 112 | C637 Q638 L639 W643 S644 S645 I663 L666 A667 F675 I678 L679 | C637-F641 WeakPolarHBondContact O-CB 3.39Å; C637-F641 PolarHBondContact O-N 3.48Å; Q638-F641 PolarHBondContact O-N 3.46Å; L639-F641 VanDerWaalsContact C-N 3.28Å; L639-F641 PolarHBondContact O-N 2.99Å; F641-W643 VanDerWaalsContact C-N 3.27Å; F641-W643 PolarHBondContact O-N 3.12Å; F641-S644 PolarHBondContact O-N 3.21Å; F641-S645 VanDerWaalsContact O-CB 3.28Å; F641-S645 WeakPolarHBondContact O-CB 3.49Å; F641-S645 PolarHBondContact O-N 2.9Å; F641-I663 HydrophobicContact CD2-CG2 4.28Å; F641-I663 HydrophobicContact CE1-CG2 4.4Å; F641-I663 HydrophobicContact CE2-CB 4.36Å; F641-I663 HydrophobicContact CE2-CG2 3.52Å; F641-I663 HydrophobicContact CZ-CG2 3.63Å; F641-L666 HydrophobicContact CB-CD1 4.38Å; F641-L666 HydrophobicContact CD2-CB 4.25Å; F641-A667 HydrophobicContact CE2-CB 4.41Å; F641-F675 HydrophobicContact CB-CD1 4.07Å; F641-F675 HydrophobicContact CB-CE1 3.73Å; F641-F675 HydrophobicContact CD1-CD1 4.09Å; F641-F675 AromaticContact CD2-CD1 3.23Å; F641-F675 HydrophobicContact CD2-CD1 3.23Å; F641-F675 AromaticContact CD2-CE1 3.68Å; F641-F675 HydrophobicContact CD2-CE1 3.68Å; F641-F675 HydrophobicContact CD2-CG 4.19Å; F641-F675 HydrophobicContact CE1-CD1 4.36Å; F641-F675 HydrophobicContact CE2-CB 3.95Å; F641-F675 AromaticContact CE2-CD1 3.48Å; F641-F675 HydrophobicContact CE2-CD1 3.48Å; F641-F675 VanDerWaalsContact CE2-CD1 3.48Å; F641-F675 HydrophobicContact CE2-CE1 4.36Å; F641-F675 HydrophobicContact CE2-CG 4.08Å; F641-F675 AromaticContact CG-CD1 3.53Å; F641-F675 HydrophobicContact CG-CD1 3.53Å; F641-F675 AromaticContact CG-CE1 3.73Å; F641-F675 HydrophobicContact CG-CE1 3.73Å; F641-F675 HydrophobicContact CZ-CB 4.22Å; F641-F675 HydrophobicContact CZ-CD1 4.02Å; F641-I678 HydrophobicContact CD1-CB 4.06Å; F641-I678 HydrophobicContact CD1-CD1 4.17Å; F641-I678 HydrophobicContact CD1-CG2 3.77Å; F641-I678 HydrophobicContact CE1-CB 3.39Å; F641-I678 HydrophobicContact CE1-CD1 4.29Å; F641-I678 HydrophobicContact CE1-CG1 4.44Å; F641-I678 HydrophobicContact CE1-CG2 3.34Å; F641-I678 HydrophobicContact CZ-CB 4.15Å; F641-I678 HydrophobicContact CZ-CG2 4.46Å; F641-L679 HydrophobicContact CZ-CG 3.99Å |
| 642 | E | 56.3 | Low | 55 | Low | 76 Ų | 76 | 43.9 Ų | 43.9 | 36% | 0.355 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -58 | -41.4 | 177.2 | -75.4 | 175.6 | -171.4 | 0 | 0 | 111.2 | Q638 L639 S646 | Q638-E642 HydrophobicContact CG-CG 4.37Å; Q638-E642 WeakPolarHBondContact CG-OE1 3.42Å; Q638-E642 PolarHBondContact NE2-OE1 3.19Å; Q638-E642 WeakPolarHBondContact O-CB 3.3Å; Q638-E642 WeakPolarHBondContact O-CG 3.44Å; Q638-E642 PolarHBondContact O-N 2.97Å; L639-E642 PolarHBondContact O-N 3.48Å; E642-S646 WeakPolarHBondContact O-CB 3.33Å; E642-S646 PolarHBondContact O-N 2.88Å; E642-S646 PolarHBondContact O-OG 3.45Å |
| 643 | W | 60 | Low | 56 | Low | 81 Ų | 81 | 46 Ų | 46 | 31% | 0.307 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -66.8 | -47.2 | 174.5 | -65.3 | -11.5 | 0 | 0 | 0 | 112.1 | F612 L613 L639 F641 S646 M647 | F612-W643 AromaticContact CE1-CZ3 3.91Å; F612-W643 HydrophobicContact CE1-CZ3 3.91Å; L613-W643 HydrophobicContact CD2-CE3 4.5Å; L639-W643 HydrophobicContact CD2-CH2 4.23Å; L639-W643 HydrophobicContact CD2-CZ2 3.5Å; L639-W643 VanDerWaalsContact CD2-CZ2 3.5Å; L639-W643 WeakPolarHBondContact O-CB 3.45Å; L639-W643 PolarHBondContact O-N 3.34Å; F641-W643 VanDerWaalsContact C-N 3.27Å; F641-W643 PolarHBondContact O-N 3.12Å; W643-S646 WeakPolarHBondContact O-CB 3.42Å; W643-S646 PolarHBondContact O-N 2.86Å; W643-M647 VanDerWaalsContact O-CG 3.25Å; W643-M647 WeakPolarHBondContact O-CG 3.49Å; W643-M647 PolarHBondContact O-N 2.92Å; W643-M647 VanDerWaalsContact O-N 3.07Å |
| 644 | S | 62.7 | Low | 56.9 | Low | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -64.8 | -43 | -179.6 | -58.5 | 0 | 0 | 0 | 0 | 112.2 | L640 F641 S646 M647 L648 V662 | L640-S644 WeakPolarHBondContact O-CB 3.5Å; L640-S644 PolarHBondContact O-N 2.81Å; L640-S644 PolarHBondContact O-OG 2.68Å; F641-S644 PolarHBondContact O-N 3.21Å; S644-S646 VanDerWaalsContact C-N 3.31Å; S644-S646 PolarHBondContact O-N 3.28Å; S644-M647 PolarHBondContact O-N 3.18Å; S644-M647 VanDerWaalsContact O-N 3.14Å; S644-L648 PolarHBondContact O-N 3.07Å; S644-V662 WeakPolarHBondContact OG-CG1 3.22Å |
| 645 | S | 60.4 | Low | 58.1 | Low | 14 Ų | 14 | 42.4 Ų | 42.4 | 10% | 0.098 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -57.4 | -46.6 | 174.1 | 176.5 | 0 | 0 | 0 | 0 | 110.8 | F641 M647 L648 A682 | F641-S645 VanDerWaalsContact O-CB 3.28Å; F641-S645 WeakPolarHBondContact O-CB 3.49Å; F641-S645 PolarHBondContact O-N 2.9Å; S645-M647 PolarHBondContact O-N 2.72Å; S645-L648 PolarHBondContact O-N 2.74Å; S645-A682 WeakPolarHBondContact OG-CB 3.45Å |
| 646 | S | 58.1 | Low | 59.5 | Low | 38 Ų | 38 | 38.5 Ų | 38.5 | 27% | 0.266 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -61.8 | -28.7 | 177.5 | -70.9 | 0 | 0 | 0 | 0 | 114.2 | R595 E642 W643 S644 V650 | R595-S646 PolarHBondContact NH1-O 3.45Å; R595-S646 PolarHBondContact NH1-OG 3.17Å; R595-S646 VanDerWaalsContact NH1-OG 3.09Å; E642-S646 WeakPolarHBondContact O-CB 3.33Å; E642-S646 PolarHBondContact O-N 2.88Å; E642-S646 PolarHBondContact O-OG 3.45Å; W643-S646 WeakPolarHBondContact O-CB 3.42Å; W643-S646 PolarHBondContact O-N 2.86Å; S644-S646 VanDerWaalsContact C-N 3.31Å; S644-S646 PolarHBondContact O-N 3.28Å; S646-V650 WeakPolarHBondContact O-CG2 3.4Å |
| 647 | M | 60.4 | Low | 60.9 | Low | 5 Ų | 5 | 38.2 Ų | 38.2 | 3% | 0.025 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -93.1 | -21.4 | -177.2 | -65.6 | -47.1 | 134.4 | 0 | 0 | 115.5 | L591 W643 S644 S645 G649 V650 A651 F659 | L591-M647 HydrophobicContact CB-SD 4.47Å; L591-M647 HydrophobicContact CD1-CG 3.7Å; L591-M647 HydrophobicContact CD1-SD 3.53Å; L591-M647 VanDerWaalsContact CD1-SD 3.53Å; L591-M647 HydrophobicContact CD2-CE 3.08Å; L591-M647 HydrophobicContact CD2-CG 3.49Å; L591-M647 VanDerWaalsContact CD2-CG 3.49Å; L591-M647 HydrophobicContact CD2-SD 3.18Å; L591-M647 WeakPolarHBondContact CD2-SD 2.93Å; L591-M647 HydrophobicContact CG-CE 3.62Å; L591-M647 HydrophobicContact CG-CG 3.8Å; L591-M647 HydrophobicContact CG-SD 3.1Å; L591-M647 WeakPolarHBondContact CG-SD 3.42Å; W643-M647 VanDerWaalsContact O-CG 3.25Å; W643-M647 WeakPolarHBondContact O-CG 3.49Å; W643-M647 PolarHBondContact O-N 2.92Å; W643-M647 VanDerWaalsContact O-N 3.07Å; S644-M647 PolarHBondContact O-N 3.18Å; S644-M647 VanDerWaalsContact O-N 3.14Å; S645-M647 PolarHBondContact O-N 2.72Å; M647-G649 PolarHBondContact O-N 2.86Å; M647-V650 PolarHBondContact O-N 3.42Å; M647-A651 VanDerWaalsContact O-CB 3.22Å; M647-A651 WeakPolarHBondContact O-CB 3.26Å; M647-A651 PolarHBondContact O-N 3.39Å; M647-F659 HydrophobicContact CB-CD1 3.97Å; M647-F659 HydrophobicContact CB-CD2 3.94Å; M647-F659 HydrophobicContact CB-CE1 3.89Å; M647-F659 HydrophobicContact CB-CE2 3.87Å; M647-F659 HydrophobicContact CB-CG 3.99Å; M647-F659 HydrophobicContact CB-CZ 3.84Å; M647-F659 HydrophobicContact CG-CE1 4.36Å; M647-F659 HydrophobicContact CG-CZ 4.34Å |
| 648 | L | 63.5 | Low | 62 | Low | 1 Ų | 1 | 42.8 Ų | 42.8 | 1% | 0.005 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -53.3 | -40.3 | 170.5 | -172.5 | 67.6 | 0 | 0 | 0 | 110.8 | S644 S645 R656 A660 I663 N690 C693 L694 | S644-L648 PolarHBondContact O-N 3.07Å; S645-L648 PolarHBondContact O-N 2.74Å; L648-R656 HydrophobicContact CD1-CB 4.17Å; L648-R656 VanDerWaalsContact CD1-O 3.32Å; L648-R656 WeakPolarHBondContact CD1-O 3.24Å; L648-R656 WeakPolarHBondContact O-CD 3.13Å; L648-R656 WeakPolarHBondContact O-CG 3.38Å; L648-A660 HydrophobicContact CD1-CB 3.83Å; L648-I663 HydrophobicContact CB-CD1 4.21Å; L648-I663 HydrophobicContact CD2-CD1 4.14Å; L648-N690 HydrophobicContact CD2-CB 3.99Å; L648-N690 HydrophobicContact CG-CB 3.95Å; L648-N690 PolarHBondContact O-OD1 3.28Å; L648-C693 HydrophobicContact CD1-CB 4.16Å; L648-L694 HydrophobicContact CD2-CD1 3.67Å; L648-L694 HydrophobicContact CD2-CD2 3.98Å; L648-L694 HydrophobicContact CD2-CG 3.65Å |
| 649 | G | 58.8 | Low | 62.9 | Low | 31 Ų | 31 | 39.2 Ų | 39.2 | 32% | 0.32 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | -18.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | M647 N690 | M647-G649 PolarHBondContact O-N 2.86Å; G649-N690 WeakPolarHBondContact CA-ND2 3.35Å |
| 650 | V | 57.2 | Low | 63.8 | Low | 26 Ų | 26 | 36 Ų | 36 | 16% | 0.158 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -116.2 | -25.1 | -168.5 | -170.4 | 0 | 0 | 0 | 0 | 112.1 | R595 S646 M647 | R595-V650 HydrophobicContact CB-CG1 4.16Å; R595-V650 HydrophobicContact CB-CG2 3.69Å; R595-V650 HydrophobicContact CG-CG2 3.51Å; S646-V650 WeakPolarHBondContact O-CG2 3.4Å; M647-V650 PolarHBondContact O-N 3.42Å |
| 651 | A | 61.6 | Low | 64.5 | Low | 1 Ų | 1 | 37.9 Ų | 37.9 | 1% | 0.008 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -66.4 | 153.3 | -175.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | M601 M647 R656 F659 | M601-A651 HydrophobicContact CE-CB 3.53Å; M647-A651 VanDerWaalsContact O-CB 3.22Å; M647-A651 WeakPolarHBondContact O-CB 3.26Å; M647-A651 PolarHBondContact O-N 3.39Å; A651-R656 HydrophobicContact CB-CG 3.91Å; A651-R656 WeakPolarHBondContact O-CG 3.37Å; A651-R656 PolarHBondContact O-NE 3.48Å; A651-R656 PolarHBondContact O-NH2 3.26Å; A651-F659 HydrophobicContact CB-CD2 4.01Å; A651-F659 HydrophobicContact CB-CE2 3.87Å |
| 652 | S | 62.4 | Low | 65 | Low | 44 Ų | 44 | 38.7 Ų | 38.7 | 31% | 0.308 | 20% | 0.196 | S | C | . | . | trans | -65.4 | 152.5 | 166 | 65.8 | 0 | 0 | 0 | 0 | 110.3 | K654 Y655 R656 | S652-K654 PolarHBondContact O-N 3.1Å; S652-Y655 PolarHBondContact O-N 3.01Å; S652-Y655 WeakPolarHBondContact OG-CD2 3.48Å; S652-R656 PolarHBondContact O-N 3.48Å | ||
| 653 | E | 63.7 | Low | 65.5 | Low | 112 Ų | 112 | 35.1 Ų | 35.1 | 52% | 0.523 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -52 | -31.2 | -174.4 | -167.4 | 173 | -169.3 | 0 | 0 | 112.9 | Y655 V689 R692 | E653-Y655 PolarHBondContact O-N 3.27Å; E653-V689 HydrophobicContact CG-CG1 3.93Å; E653-R692 IonicContact OE1-NH1 2.97Å; E653-R692 PolarHBondContact OE1-NH1 3.32Å |
| 654 | K | 67 | Low | 65.9 | Low | 127 Ų | 127 | 31.2 Ų | 31.2 | 55% | 0.552 | 17% | 0.165 | S | C | * | . | H | α-helix | trans | -57.1 | -28.5 | 174.7 | -176.7 | 176.1 | 173.1 | -178.7 | 0 | 114.6 | E603 S652 | E603-K654 VanDerWaalsContact CD-NZ 3.31Å; E603-K654 WeakPolarHBondContact OE1-CD 3.3Å; E603-K654 IonicContact OE1-NZ 3.24Å; E603-K654 PolarHBondContact OE1-NZ 3.26Å; E603-K654 IonicContact OE2-NZ 3.72Å; E603-K654 PolarHBondContact OE2-NZ 2.85Å; E603-K654 VanDerWaalsContact OE2-NZ 3.14Å; S652-K654 PolarHBondContact O-N 3.1Å |
| 655 | Y | 67.2 | Low | 66.1 | Low | 8 Ų | 8 | 34.8 Ų | 34.8 | 3% | 0.031 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -111.5 | -22 | -176.1 | -60.5 | -70.5 | 0 | 0 | 0 | 114.1 | M601 E603 A606 I610 S652 E653 Q657 K658 F659 | M601-Y655 HydrophobicContact CE-CD2 3.97Å; M601-Y655 HydrophobicContact CE-CG 4.28Å; E603-Y655 HydrophobicContact CB-CE2 4.28Å; E603-Y655 VanDerWaalsContact CB-OH 3.31Å; E603-Y655 WeakPolarHBondContact CB-OH 3.33Å; E603-Y655 HydrophobicContact CG-CE2 4.08Å; E603-Y655 PolarHBondContact O-OH 2.87Å; A606-Y655 HydrophobicContact CB-CD1 3.85Å; A606-Y655 HydrophobicContact CB-CD2 3.46Å; A606-Y655 VanDerWaalsContact CB-CD2 3.46Å; A606-Y655 HydrophobicContact CB-CE1 3.85Å; A606-Y655 HydrophobicContact CB-CE2 3.48Å; A606-Y655 VanDerWaalsContact CB-CE2 3.48Å; A606-Y655 HydrophobicContact CB-CG 3.66Å; I610-Y655 HydrophobicContact CD1-CD1 3.41Å; I610-Y655 VanDerWaalsContact CD1-CD1 3.41Å; I610-Y655 HydrophobicContact CD1-CE1 4.28Å; I610-Y655 HydrophobicContact CD1-CG 4.05Å; S652-Y655 PolarHBondContact O-N 3.01Å; S652-Y655 WeakPolarHBondContact OG-CD2 3.48Å; E653-Y655 PolarHBondContact O-N 3.27Å; Y655-Q657 PolarHBondContact O-N 3.11Å; Y655-K658 WeakPolarHBondContact O-CB 3.49Å; Y655-K658 PolarHBondContact O-N 3.3Å; Y655-F659 WeakPolarHBondContact O-CD2 3.39Å; Y655-F659 PolarHBondContact O-N 3.32Å |
| 656 | R | 73.1 | Confident | 66.2 | Low | 32 Ų | 32 | 35.5 Ų | 35.5 | 12% | 0.121 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -51.9 | -40.2 | 179.9 | -70.9 | -173.8 | -172.7 | -169.4 | 6.4 | 112.6 | L648 A651 S652 K658 F659 A660 D687 N690 C693 | L648-R656 HydrophobicContact CD1-CB 4.17Å; L648-R656 VanDerWaalsContact CD1-O 3.32Å; L648-R656 WeakPolarHBondContact CD1-O 3.24Å; L648-R656 WeakPolarHBondContact O-CD 3.13Å; L648-R656 WeakPolarHBondContact O-CG 3.38Å; A651-R656 HydrophobicContact CB-CG 3.91Å; A651-R656 WeakPolarHBondContact O-CG 3.37Å; A651-R656 PolarHBondContact O-NE 3.48Å; A651-R656 PolarHBondContact O-NH2 3.26Å; S652-R656 PolarHBondContact O-N 3.48Å; R656-K658 VanDerWaalsContact C-N 3.3Å; R656-K658 PolarHBondContact O-N 3.13Å; R656-F659 PolarHBondContact O-N 3.5Å; R656-A660 WeakPolarHBondContact O-CB 3.44Å; R656-A660 PolarHBondContact O-N 3.48Å; R656-D687 IonicContact CZ-OD2 3.86Å; R656-D687 IonicContact NH1-OD2 3.82Å; R656-D687 PolarHBondContact NH1-OD2 2.97Å; R656-D687 IonicContact NH2-OD2 2.79Å; R656-D687 PolarHBondContact NH2-OD2 3.02Å; R656-N690 WeakPolarHBondContact CD-OD1 3Å; R656-N690 PolarHBondContact NH1-OD1 2.7Å; R656-C693 HydrophobicContact CB-CB 4.32Å; R656-C693 VanDerWaalsContact CB-SG 3.59Å |
| 657 | Q | 76.6 | Confident | 66.4 | Low | 47 Ų | 47 | 34 Ų | 34 | 22% | 0.22 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -58.2 | -41.2 | 177.3 | -169.7 | 58.5 | 52.4 | 0 | 0 | 112.6 | Y655 F659 A660 D661 C693 K696 | Y655-Q657 PolarHBondContact O-N 3.11Å; Q657-F659 PolarHBondContact O-N 2.91Å; Q657-A660 WeakPolarHBondContact O-CB 3.26Å; Q657-A660 PolarHBondContact O-N 3.37Å; Q657-D661 PolarHBondContact NE2-OD1 2.71Å; Q657-D661 PolarHBondContact O-N 2.99Å; Q657-C693 PolarHBondContact NE2-O 3.33Å; Q657-C693 PolarHBondContact OE1-O 3.21Å; Q657-K696 VanDerWaalsContact OE1-CB 3.27Å |
| 658 | K | 72.1 | Confident | 66.4 | Low | 99 Ų | 99 | 35.8 Ų | 35.8 | 43% | 0.43 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -69.3 | -36.4 | -178.4 | -62.6 | -171.7 | -178.2 | -178.9 | 0 | 112.4 | I610 Y655 R656 D661 V662 | I610-K658 HydrophobicContact CD1-CB 4.06Å; I610-K658 HydrophobicContact CD1-CD 3.75Å; I610-K658 HydrophobicContact CD1-CG 4.48Å; I610-K658 HydrophobicContact CG1-CB 4.36Å; I610-K658 HydrophobicContact CG1-CD 4.44Å; I610-K658 HydrophobicContact CG2-CD 3.83Å; Y655-K658 WeakPolarHBondContact O-CB 3.49Å; Y655-K658 PolarHBondContact O-N 3.3Å; R656-K658 VanDerWaalsContact C-N 3.3Å; R656-K658 PolarHBondContact O-N 3.13Å; K658-D661 PolarHBondContact O-N 3.32Å; K658-V662 WeakPolarHBondContact O-CG2 3.44Å; K658-V662 PolarHBondContact O-N 3.07Å |
| 659 | F | 71.8 | Confident | 66.2 | Low | 1 Ų | 1 | 38.1 Ų | 38.1 | 0% | 0.004 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -68.8 | -43.7 | 173.8 | -67.2 | -64.5 | 0 | 0 | 0 | 111 | M601 V609 I610 L613 M647 A651 Y655 R656 Q657 D661 V662 I663 | M601-F659 HydrophobicContact CE-CE2 4.26Å; V609-F659 HydrophobicContact CG1-CE1 4.2Å; V609-F659 HydrophobicContact CG1-CZ 4.46Å; I610-F659 HydrophobicContact CD1-CE2 4.26Å; I610-F659 HydrophobicContact CD1-CZ 4.21Å; I610-F659 HydrophobicContact CG1-CE1 4.01Å; I610-F659 HydrophobicContact CG1-CE2 4.32Å; I610-F659 HydrophobicContact CG1-CZ 3.82Å; L613-F659 HydrophobicContact CD1-CD1 3.97Å; L613-F659 HydrophobicContact CD1-CE1 3.71Å; M647-F659 HydrophobicContact CB-CD1 3.97Å; M647-F659 HydrophobicContact CB-CD2 3.94Å; M647-F659 HydrophobicContact CB-CE1 3.89Å; M647-F659 HydrophobicContact CB-CE2 3.87Å; M647-F659 HydrophobicContact CB-CG 3.99Å; M647-F659 HydrophobicContact CB-CZ 3.84Å; M647-F659 HydrophobicContact CG-CE1 4.36Å; M647-F659 HydrophobicContact CG-CZ 4.34Å; A651-F659 HydrophobicContact CB-CD2 4.01Å; A651-F659 HydrophobicContact CB-CE2 3.87Å; Y655-F659 WeakPolarHBondContact O-CD2 3.39Å; Y655-F659 PolarHBondContact O-N 3.32Å; R656-F659 PolarHBondContact O-N 3.5Å; Q657-F659 PolarHBondContact O-N 2.91Å; F659-D661 VanDerWaalsContact C-N 3.29Å; F659-D661 PolarHBondContact O-N 3.35Å; F659-V662 PolarHBondContact O-N 2.94Å; F659-V662 VanDerWaalsContact O-N 3.12Å; F659-I663 VanDerWaalsContact O-CG1 3.28Å; F659-I663 WeakPolarHBondContact O-CG1 3.42Å; F659-I663 PolarHBondContact O-N 3.41Å |
| 660 | A | 73.4 | Confident | 66 | Low | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -56.1 | -42.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | L648 R656 Q657 V662 I663 V664 C693 L694 A697 | L648-A660 HydrophobicContact CD1-CB 3.83Å; R656-A660 WeakPolarHBondContact O-CB 3.44Å; R656-A660 PolarHBondContact O-N 3.48Å; Q657-A660 WeakPolarHBondContact O-CB 3.26Å; Q657-A660 PolarHBondContact O-N 3.37Å; A660-V662 VanDerWaalsContact C-N 3.32Å; A660-V662 PolarHBondContact O-N 3.42Å; A660-I663 PolarHBondContact O-N 2.97Å; A660-V664 WeakPolarHBondContact O-CB 3.19Å; A660-V664 WeakPolarHBondContact O-CG2 3.4Å; A660-V664 PolarHBondContact O-N 3.02Å; A660-C693 HydrophobicContact CB-CB 3.88Å; A660-C693 WeakPolarHBondContact CB-O 3.49Å; A660-L694 HydrophobicContact CB-CD2 4.02Å; A660-L694 HydrophobicContact CB-CG 4.36Å; A660-A697 HydrophobicContact CB-CB 3.97Å |
| 661 | D | 70 | Confident | 65.8 | Low | 52 Ų | 52 | 42.1 Ų | 42.1 | 28% | 0.278 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -60.6 | -39.9 | 176.8 | -62.6 | -22.5 | 0 | 0 | 0 | 111.8 | Q657 K658 F659 Q665 A697 | Q657-D661 PolarHBondContact NE2-OD1 2.71Å; Q657-D661 PolarHBondContact O-N 2.99Å; K658-D661 PolarHBondContact O-N 3.32Å; F659-D661 VanDerWaalsContact C-N 3.29Å; F659-D661 PolarHBondContact O-N 3.35Å; D661-Q665 WeakPolarHBondContact O-CB 3.41Å; D661-Q665 WeakPolarHBondContact O-CG 3.41Å; D661-Q665 PolarHBondContact O-N 3.07Å; D661-A697 WeakPolarHBondContact OD1-CA 3.28Å; D661-A697 VanDerWaalsContact OD1-CB 3.23Å; D661-A697 WeakPolarHBondContact OD1-CB 3.38Å |
| 662 | V | 68.8 | Low | 65.3 | Low | 18 Ų | 18 | 44 Ų | 44 | 11% | 0.109 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -66.9 | -47 | 176.3 | 173.7 | 0 | 0 | 0 | 0 | 111.1 | S644 K658 F659 A660 Q665 L666 | S644-V662 WeakPolarHBondContact OG-CG1 3.22Å; K658-V662 WeakPolarHBondContact O-CG2 3.44Å; K658-V662 PolarHBondContact O-N 3.07Å; F659-V662 PolarHBondContact O-N 2.94Å; F659-V662 VanDerWaalsContact O-N 3.12Å; A660-V662 VanDerWaalsContact C-N 3.32Å; A660-V662 PolarHBondContact O-N 3.42Å; V662-Q665 PolarHBondContact O-N 2.97Å; V662-L666 HydrophobicContact CG1-CD1 3.75Å; V662-L666 HydrophobicContact CG1-CG 4.31Å; V662-L666 WeakPolarHBondContact O-CB 3.32Å; V662-L666 VanDerWaalsContact O-CG 3.32Å; V662-L666 WeakPolarHBondContact O-CG 3.34Å; V662-L666 PolarHBondContact O-N 3.16Å |
| 663 | I | 66.8 | Low | 64.6 | Low | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -57.9 | -55 | 179.1 | -64.2 | 165.3 | 0 | 0 | 0 | 110.2 | F641 L648 F659 A660 Q665 L666 A667 L679 L694 | F641-I663 HydrophobicContact CD2-CG2 4.28Å; F641-I663 HydrophobicContact CE1-CG2 4.4Å; F641-I663 HydrophobicContact CE2-CB 4.36Å; F641-I663 HydrophobicContact CE2-CG2 3.52Å; F641-I663 HydrophobicContact CZ-CG2 3.63Å; L648-I663 HydrophobicContact CB-CD1 4.21Å; L648-I663 HydrophobicContact CD2-CD1 4.14Å; F659-I663 VanDerWaalsContact O-CG1 3.28Å; F659-I663 WeakPolarHBondContact O-CG1 3.42Å; F659-I663 PolarHBondContact O-N 3.41Å; A660-I663 PolarHBondContact O-N 2.97Å; I663-Q665 PolarHBondContact O-N 2.99Å; I663-L666 PolarHBondContact O-N 2.93Å; I663-A667 WeakPolarHBondContact O-CB 3.28Å; I663-A667 PolarHBondContact O-N 2.65Å; I663-L679 HydrophobicContact CG2-CD2 3.49Å; I663-L679 VanDerWaalsContact CG2-CD2 3.49Å; I663-L679 HydrophobicContact CG2-CG 3.97Å; I663-L694 HydrophobicContact CB-CD2 4.42Å; I663-L694 HydrophobicContact CD1-CD2 4.4Å; I663-L694 HydrophobicContact CG2-CD2 4.2Å |
| 664 | V | 68.5 | Low | 63.8 | Low | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -65.9 | -38.5 | -175.5 | 176.1 | 0 | 0 | 0 | 0 | 111 | A660 F668 L694 A697 Y698 V701 | A660-V664 WeakPolarHBondContact O-CB 3.19Å; A660-V664 WeakPolarHBondContact O-CG2 3.4Å; A660-V664 PolarHBondContact O-N 3.02Å; V664-F668 WeakPolarHBondContact O-CB 3.3Å; V664-F668 PolarHBondContact O-N 3.23Å; V664-L694 HydrophobicContact CG2-CD2 3.85Å; V664-A697 HydrophobicContact CB-CB 4.03Å; V664-A697 HydrophobicContact CG2-CB 3.78Å; V664-Y698 HydrophobicContact CG1-CD1 3.54Å; V664-Y698 HydrophobicContact CG1-CD2 4.17Å; V664-Y698 HydrophobicContact CG1-CE1 3.63Å; V664-Y698 HydrophobicContact CG1-CE2 4.24Å; V664-Y698 HydrophobicContact CG1-CG 3.82Å; V664-Y698 HydrophobicContact CG2-CD2 3.82Å; V664-Y698 HydrophobicContact CG2-CE1 4.49Å; V664-Y698 HydrophobicContact CG2-CE2 3.66Å; V664-Y698 HydrophobicContact CG2-CG 4.29Å; V664-V701 HydrophobicContact CG1-CB 4.36Å; V664-V701 HydrophobicContact CG1-CG2 3.9Å |
| 665 | Q | 67.1 | Low | 62.6 | Low | 74 Ų | 74 | 42 Ų | 42 | 35% | 0.346 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -70.8 | -37.7 | 177.4 | -71.2 | 175.1 | 20.7 | 0 | 0 | 113.1 | D661 V662 I663 F668 A669 V701 | D661-Q665 WeakPolarHBondContact O-CB 3.41Å; D661-Q665 WeakPolarHBondContact O-CG 3.41Å; D661-Q665 PolarHBondContact O-N 3.07Å; V662-Q665 PolarHBondContact O-N 2.97Å; I663-Q665 PolarHBondContact O-N 2.99Å; Q665-F668 PolarHBondContact O-N 3.09Å; Q665-A669 WeakPolarHBondContact O-CB 3.41Å; Q665-A669 PolarHBondContact O-N 3.28Å; Q665-V701 HydrophobicContact CG-CG2 3.77Å |
| 666 | L | 62.2 | Low | 61.6 | Low | 30 Ų | 30 | 44.6 Ų | 44.6 | 16% | 0.157 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -66 | -44 | 174.9 | -76.2 | 174 | 0 | 0 | 0 | 111.2 | L640 F641 V662 I663 F668 A669 K670 | L640-L666 HydrophobicContact CB-CD1 4.11Å; F641-L666 HydrophobicContact CB-CD1 4.38Å; F641-L666 HydrophobicContact CD2-CB 4.25Å; V662-L666 HydrophobicContact CG1-CD1 3.75Å; V662-L666 HydrophobicContact CG1-CG 4.31Å; V662-L666 WeakPolarHBondContact O-CB 3.32Å; V662-L666 VanDerWaalsContact O-CG 3.32Å; V662-L666 WeakPolarHBondContact O-CG 3.34Å; V662-L666 PolarHBondContact O-N 3.16Å; I663-L666 PolarHBondContact O-N 2.93Å; L666-F668 VanDerWaalsContact C-N 3.29Å; L666-F668 PolarHBondContact O-N 2.92Å; L666-A669 PolarHBondContact O-N 3.33Å; L666-K670 PolarHBondContact O-N 3.23Å |
| 667 | A | 63 | Low | 60.3 | Low | 7 Ų | 7 | 46 Ų | 46 | 6% | 0.058 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -56.3 | -45.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | F641 I663 C671 F675 L679 | F641-A667 HydrophobicContact CE2-CB 4.41Å; I663-A667 WeakPolarHBondContact O-CB 3.28Å; I663-A667 PolarHBondContact O-N 2.65Å; A667-C671 PolarHBondContact O-N 2.88Å; A667-F675 HydrophobicContact CB-CB 4.05Å; A667-L679 HydrophobicContact CB-CD1 3.77Å |
| 668 | F | 59.8 | Low | 58.7 | Low | 41 Ų | 41 | 45.3 Ų | 45.3 | 18% | 0.18 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -73.1 | -41.3 | -178.7 | -148.1 | -93.3 | 0 | 0 | 0 | 113.6 | V664 Q665 L666 C671 V701 Q705 P749 L753 | V664-F668 WeakPolarHBondContact O-CB 3.3Å; V664-F668 PolarHBondContact O-N 3.23Å; Q665-F668 PolarHBondContact O-N 3.09Å; L666-F668 VanDerWaalsContact C-N 3.29Å; L666-F668 PolarHBondContact O-N 2.92Å; F668-C671 PolarHBondContact O-SG 2.96Å; F668-V701 HydrophobicContact CB-CG1 4.26Å; F668-V701 HydrophobicContact CD1-CG1 4.02Å; F668-V701 HydrophobicContact CD2-CG1 4.02Å; F668-V701 HydrophobicContact CE1-CG1 4.4Å; F668-V701 HydrophobicContact CE2-CG1 4.41Å; F668-V701 HydrophobicContact CG-CG1 3.81Å; F668-Q705 HydrophobicContact CE1-CG 3.83Å; F668-Q705 HydrophobicContact CZ-CG 4.14Å; F668-P749 HydrophobicContact CZ-CB 4.38Å; F668-L753 HydrophobicContact CD2-CD1 4.5Å; F668-L753 HydrophobicContact CE2-CB 4.4Å; F668-L753 HydrophobicContact CE2-CD1 3.61Å; F668-L753 HydrophobicContact CZ-CD1 4.24Å |
| 669 | A | 58.7 | Low | 57.5 | Low | 50 Ų | 50 | 41.3 Ų | 41.3 | 41% | 0.413 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -72.9 | -31.9 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q665 L666 | Q665-A669 WeakPolarHBondContact O-CB 3.41Å; Q665-A669 PolarHBondContact O-N 3.28Å; L666-A669 PolarHBondContact O-N 3.33Å |
| 670 | K | 55.6 | Low | 56.3 | Low | 61 Ų | 61 | 43.8 Ų | 43.8 | 27% | 0.265 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -95.7 | -15 | -177.3 | -73.2 | -75.7 | -171.3 | 153.5 | 0 | 114.1 | Y631 P632 L666 D672 F675 | Y631-K670 VanDerWaalsContact CB-NZ 3.29Å; P632-K670 PolarHBondContact O-NZ 3.38Å; L666-K670 PolarHBondContact O-N 3.23Å; K670-D672 VanDerWaalsContact C-N 3.26Å; K670-D672 PolarHBondContact O-N 3.43Å; K670-F675 HydrophobicContact CB-CD2 4.41Å; K670-F675 HydrophobicContact CB-CE2 3.83Å; K670-F675 HydrophobicContact CG-CE2 4.41Å |
| 671 | C | 51.3 | Low | 54.9 | Low | 81 Ų | 81 | 48 Ų | 48 | 55% | 0.547 | 26% | 0.26 | S | S | . | . | trans | 52.5 | 40 | 175.1 | -68.4 | 0 | 0 | 0 | 0 | 113.5 | A667 F668 | A667-C671 PolarHBondContact O-N 2.88Å; F668-C671 PolarHBondContact O-SG 2.96Å | ||
| 672 | D | 51.3 | Low | 53.6 | Low | 40 Ų | 40 | 45.6 Ų | 45.6 | 21% | 0.214 | 25% | 0.248 | C | C | . | . | trans | -115.4 | 126.1 | -176.3 | -169.9 | -44.7 | 0 | 0 | 0 | 111.1 | K670 R674 F675 | K670-D672 VanDerWaalsContact C-N 3.26Å; K670-D672 PolarHBondContact O-N 3.43Å; D672-R674 PolarHBondContact O-N 3.48Å; D672-R674 WeakPolarHBondContact OD1-CB 3.42Å; D672-R674 PolarHBondContact OD1-N 3.24Å; D672-R674 IonicContact OD1-NE 2.83Å; D672-R674 PolarHBondContact OD1-NE 3.02Å; D672-R674 VanDerWaalsContact OD1-NE 3.15Å; D672-R674 IonicContact OD1-NH2 3.49Å; D672-R674 IonicContact OD2-CZ 3.06Å; D672-R674 IonicContact OD2-NE 3.26Å; D672-R674 PolarHBondContact OD2-NE 2.87Å; D672-R674 IonicContact OD2-NH2 3.73Å; D672-R674 PolarHBondContact OD2-NH2 3.25Å; D672-F675 HydrophobicContact CB-CD2 3.91Å; D672-F675 HydrophobicContact CB-CE2 4.1Å; D672-F675 PolarHBondContact O-N 2.74Å; D672-F675 VanDerWaalsContact O-N 3.1Å | ||
| 673 | N | 47.6 | Very low | 52.3 | Low | 108 Ų | 108 | 45.6 Ų | 45.6 | 58% | 0.578 | 25% | 0.25 | S | C | * | . | H | α-helix | trans | -57.5 | -23.2 | -176.1 | -64.3 | 5.8 | 0 | 0 | 0 | 113.4 | F675 E676 S677 | N673-F675 VanDerWaalsContact C-N 3.29Å; N673-F675 PolarHBondContact O-N 3.49Å; N673-E676 WeakPolarHBondContact O-CB 3.47Å; N673-E676 PolarHBondContact O-N 2.93Å; N673-E676 VanDerWaalsContact O-N 3.1Å; N673-S677 PolarHBondContact O-N 3.42Å |
| 674 | R | 47 | Very low | 51.1 | Low | 117 Ų | 117 | 51.5 Ų | 51.5 | 44% | 0.442 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -62.1 | -36.7 | 177.3 | -72.6 | 178 | -71.7 | 177 | -7.5 | 112.4 | M634 D672 E676 S677 I678 | M634-R674 PolarHBondContact SD-NH2 2.98Å; D672-R674 PolarHBondContact O-N 3.48Å; D672-R674 WeakPolarHBondContact OD1-CB 3.42Å; D672-R674 PolarHBondContact OD1-N 3.24Å; D672-R674 IonicContact OD1-NE 2.83Å; D672-R674 PolarHBondContact OD1-NE 3.02Å; D672-R674 VanDerWaalsContact OD1-NE 3.15Å; D672-R674 IonicContact OD1-NH2 3.49Å; D672-R674 IonicContact OD2-CZ 3.06Å; D672-R674 IonicContact OD2-NE 3.26Å; D672-R674 PolarHBondContact OD2-NE 2.87Å; D672-R674 IonicContact OD2-NH2 3.73Å; D672-R674 PolarHBondContact OD2-NH2 3.25Å; R674-E676 PolarHBondContact O-N 3.47Å; R674-S677 PolarHBondContact O-N 3.3Å; R674-S677 PolarHBondContact O-OG 2.96Å; R674-I678 WeakPolarHBondContact O-CG1 3.29Å; R674-I678 PolarHBondContact O-N 3.05Å |
| 675 | F | 42.4 | Very low | 49.9 | Very low | 15 Ų | 15 | 58.1 Ų | 58.1 | 7% | 0.066 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -67.1 | -26.4 | 176.6 | -65.2 | -64.9 | 0 | 0 | 0 | 112.1 | C637 F641 A667 K670 D672 N673 I678 L679 | C637-F675 HydrophobicContact CB-CZ 4.3Å; F641-F675 HydrophobicContact CB-CD1 4.07Å; F641-F675 HydrophobicContact CB-CE1 3.73Å; F641-F675 HydrophobicContact CD1-CD1 4.09Å; F641-F675 AromaticContact CD2-CD1 3.23Å; F641-F675 HydrophobicContact CD2-CD1 3.23Å; F641-F675 AromaticContact CD2-CE1 3.68Å; F641-F675 HydrophobicContact CD2-CE1 3.68Å; F641-F675 HydrophobicContact CD2-CG 4.19Å; F641-F675 HydrophobicContact CE1-CD1 4.36Å; F641-F675 HydrophobicContact CE2-CB 3.95Å; F641-F675 AromaticContact CE2-CD1 3.48Å; F641-F675 HydrophobicContact CE2-CD1 3.48Å; F641-F675 VanDerWaalsContact CE2-CD1 3.48Å; F641-F675 HydrophobicContact CE2-CE1 4.36Å; F641-F675 HydrophobicContact CE2-CG 4.08Å; F641-F675 AromaticContact CG-CD1 3.53Å; F641-F675 HydrophobicContact CG-CD1 3.53Å; F641-F675 AromaticContact CG-CE1 3.73Å; F641-F675 HydrophobicContact CG-CE1 3.73Å; F641-F675 HydrophobicContact CZ-CB 4.22Å; F641-F675 HydrophobicContact CZ-CD1 4.02Å; A667-F675 HydrophobicContact CB-CB 4.05Å; K670-F675 HydrophobicContact CB-CD2 4.41Å; K670-F675 HydrophobicContact CB-CE2 3.83Å; K670-F675 HydrophobicContact CG-CE2 4.41Å; D672-F675 HydrophobicContact CB-CD2 3.91Å; D672-F675 HydrophobicContact CB-CE2 4.1Å; D672-F675 PolarHBondContact O-N 2.74Å; D672-F675 VanDerWaalsContact O-N 3.1Å; N673-F675 VanDerWaalsContact C-N 3.29Å; N673-F675 PolarHBondContact O-N 3.49Å; F675-I678 PolarHBondContact O-N 2.8Å; F675-L679 WeakPolarHBondContact O-CB 3.47Å; F675-L679 PolarHBondContact O-N 3.43Å |
| 676 | E | 46.9 | Very low | 48.9 | Very low | 64 Ų | 64 | 63.8 Ų | 63.8 | 30% | 0.299 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -67.6 | -40 | 174.1 | -41.3 | -168.5 | 139 | 0 | 0 | 111.9 | N673 R674 L679 S680 H756 | N673-E676 WeakPolarHBondContact O-CB 3.47Å; N673-E676 PolarHBondContact O-N 2.93Å; N673-E676 VanDerWaalsContact O-N 3.1Å; R674-E676 PolarHBondContact O-N 3.47Å; E676-L679 PolarHBondContact O-N 3.19Å; E676-S680 PolarHBondContact O-N 3.19Å; E676-S680 PolarHBondContact O-OG 2.95Å; E676-H756 VanDerWaalsContact CB-CE1 3.43Å; E676-H756 WeakPolarHBondContact CB-CE1 3.3Å; E676-H756 WeakPolarHBondContact CG-CE1 3.46Å; E676-H756 IonicContact OE1-CD2 3.32Å; E676-H756 IonicContact OE1-CE1 3.91Å; E676-H756 IonicContact OE1-CG 2.74Å; E676-H756 IonicContact OE1-ND1 2.65Å; E676-H756 IonicContact OE1-NE2 2.75Å |
| 677 | S | 44.7 | Very low | 48.6 | Very low | 60 Ų | 60 | 65.2 Ų | 65.2 | 42% | 0.42 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -63.7 | -43.5 | 175.5 | 77.9 | 0 | 0 | 0 | 0 | 111.7 | N673 R674 S680 D681 | N673-S677 PolarHBondContact O-N 3.42Å; R674-S677 PolarHBondContact O-N 3.3Å; R674-S677 PolarHBondContact O-OG 2.96Å; S677-S680 WeakPolarHBondContact O-CB 3.26Å; S677-S680 PolarHBondContact O-N 2.91Å; S677-D681 PolarHBondContact O-N 3.39Å |
| 678 | I | 43.5 | Very low | 48.5 | Very low | 34 Ų | 34 | 67.9 Ų | 67.9 | 17% | 0.174 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -77.4 | -27.4 | -177.2 | -48 | 164 | 0 | 0 | 0 | 110.9 | F641 R674 F675 S680 D681 A682 | F641-I678 HydrophobicContact CD1-CB 4.06Å; F641-I678 HydrophobicContact CD1-CD1 4.17Å; F641-I678 HydrophobicContact CD1-CG2 3.77Å; F641-I678 HydrophobicContact CE1-CB 3.39Å; F641-I678 HydrophobicContact CE1-CD1 4.29Å; F641-I678 HydrophobicContact CE1-CG1 4.44Å; F641-I678 HydrophobicContact CE1-CG2 3.34Å; F641-I678 HydrophobicContact CZ-CB 4.15Å; F641-I678 HydrophobicContact CZ-CG2 4.46Å; R674-I678 WeakPolarHBondContact O-CG1 3.29Å; R674-I678 PolarHBondContact O-N 3.05Å; F675-I678 PolarHBondContact O-N 2.8Å; I678-S680 VanDerWaalsContact C-N 3.33Å; I678-D681 PolarHBondContact O-N 3.48Å; I678-A682 WeakPolarHBondContact O-CB 3.36Å; I678-A682 PolarHBondContact O-N 3.48Å |
| 679 | L | 47.1 | Very low | 48.7 | Very low | 14 Ų | 14 | 67 Ų | 67 | 7% | 0.073 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -64.5 | -38.3 | 168.2 | -96.6 | 163.5 | 0 | 0 | 0 | 111.7 | F641 I663 A667 F675 E676 D681 A682 A683 L694 Y698 | F641-L679 HydrophobicContact CZ-CG 3.99Å; I663-L679 HydrophobicContact CG2-CD2 3.49Å; I663-L679 VanDerWaalsContact CG2-CD2 3.49Å; I663-L679 HydrophobicContact CG2-CG 3.97Å; A667-L679 HydrophobicContact CB-CD1 3.77Å; F675-L679 WeakPolarHBondContact O-CB 3.47Å; F675-L679 PolarHBondContact O-N 3.43Å; E676-L679 PolarHBondContact O-N 3.19Å; L679-D681 VanDerWaalsContact C-N 3.32Å; L679-A682 WeakPolarHBondContact O-CB 3.22Å; L679-A682 PolarHBondContact O-N 2.8Å; L679-A683 WeakPolarHBondContact O-CB 3.47Å; L679-A683 PolarHBondContact O-N 3.46Å; L679-L694 HydrophobicContact CD2-CD1 4.38Å; L679-L694 HydrophobicContact CD2-CD2 3.93Å; L679-Y698 VanDerWaalsContact CD1-OH 3.25Å; L679-Y698 WeakPolarHBondContact CD1-OH 3.44Å |
| 680 | S | 46.2 | Very low | 48.9 | Very low | 54 Ų | 54 | 64.7 Ų | 64.7 | 38% | 0.378 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -63.9 | -41.6 | 174.2 | -56.2 | 0 | 0 | 0 | 0 | 110.4 | E676 S677 I678 A683 L684 | E676-S680 PolarHBondContact O-N 3.19Å; E676-S680 PolarHBondContact O-OG 2.95Å; S677-S680 WeakPolarHBondContact O-CB 3.26Å; S677-S680 PolarHBondContact O-N 2.91Å; I678-S680 VanDerWaalsContact C-N 3.33Å; S680-A683 PolarHBondContact O-N 3.03Å; S680-L684 WeakPolarHBondContact O-CG 3.46Å; S680-L684 PolarHBondContact O-N 2.94Å |
| 681 | D | 45.2 | Very low | 49.2 | Very low | 88 Ų | 88 | 62 Ų | 62 | 47% | 0.471 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -64.5 | -37.8 | 171.4 | -72.2 | -17.5 | 0 | 0 | 0 | 112.8 | S677 I678 L679 A683 L684 W685 | S677-D681 PolarHBondContact O-N 3.39Å; I678-D681 PolarHBondContact O-N 3.48Å; L679-D681 VanDerWaalsContact C-N 3.32Å; D681-A683 VanDerWaalsContact C-N 3.33Å; D681-L684 WeakPolarHBondContact O-CB 3.49Å; D681-L684 PolarHBondContact O-N 2.85Å; D681-W685 PolarHBondContact O-NE1 3.01Å; D681-W685 VanDerWaalsContact O-NE1 3.13Å |
| 682 | A | 42.8 | Very low | 49.9 | Very low | 2 Ų | 2 | 61.1 Ų | 61.1 | 2% | 0.017 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -66.2 | -35.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112 | S645 I678 L679 | S645-A682 WeakPolarHBondContact OG-CB 3.45Å; I678-A682 WeakPolarHBondContact O-CB 3.36Å; I678-A682 PolarHBondContact O-N 3.48Å; L679-A682 WeakPolarHBondContact O-CB 3.22Å; L679-A682 PolarHBondContact O-N 2.8Å |
| 683 | A | 41.5 | Very low | 50.9 | Low | 18 Ų | 18 | 59.5 Ų | 59.5 | 15% | 0.149 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -77.1 | -23 | 176 | 0 | 0 | 0 | 0 | 0 | 113.1 | L679 S680 D681 W685 P761 | L679-A683 WeakPolarHBondContact O-CB 3.47Å; L679-A683 PolarHBondContact O-N 3.46Å; S680-A683 PolarHBondContact O-N 3.03Å; D681-A683 VanDerWaalsContact C-N 3.33Å; A683-W685 PolarHBondContact O-N 3.46Å; A683-P761 HydrophobicContact CB-CG 3.89Å |
| 684 | L | 40.5 | Very low | 52 | Low | 124 Ų | 124 | 54.7 Ų | 54.7 | 65% | 0.649 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | -12.1 | 172 | -80.5 | 164 | 0 | 0 | 0 | 113.2 | S680 D681 E686 | S680-L684 WeakPolarHBondContact O-CG 3.46Å; S680-L684 PolarHBondContact O-N 2.94Å; D681-L684 WeakPolarHBondContact O-CB 3.49Å; D681-L684 PolarHBondContact O-N 2.85Å; L684-E686 PolarHBondContact O-N 3.39Å; L684-E686 VanDerWaalsContact O-N 3.15Å |
| 685 | W | 44.1 | Very low | 53 | Low | 139 Ų | 139 | 49.3 Ų | 49.3 | 53% | 0.527 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -80.3 | 93.4 | 168.9 | -58.3 | 83.4 | 0 | 0 | 0 | 108.7 | D681 A683 D687 | D681-W685 PolarHBondContact O-NE1 3.01Å; D681-W685 VanDerWaalsContact O-NE1 3.13Å; A683-W685 PolarHBondContact O-N 3.46Å; W685-D687 PolarHBondContact O-N 3.12Å |
| 686 | E | 46.6 | Very low | 54.4 | Low | 193 Ų | 193 | 51.7 Ų | 51.7 | 90% | 0.902 | 26% | 0.264 | S | S | * | . | trans | -52.4 | 25.8 | -171.6 | -61 | 180 | 151.6 | 0 | 0 | 118.4 | L684 | L684-E686 PolarHBondContact O-N 3.39Å; L684-E686 VanDerWaalsContact O-N 3.15Å | ||
| 687 | D | 55.2 | Low | 55.7 | Low | 60 Ų | 60 | 48.7 Ų | 48.7 | 32% | 0.321 | 25% | 0.251 | S | S | . | . | trans | -92.6 | 108.7 | 172.3 | -162.3 | -10.8 | 0 | 0 | 0 | 110.1 | R656 W685 V689 N690 | R656-D687 IonicContact CZ-OD2 3.86Å; R656-D687 IonicContact NH1-OD2 3.82Å; R656-D687 PolarHBondContact NH1-OD2 2.97Å; R656-D687 IonicContact NH2-OD2 2.79Å; R656-D687 PolarHBondContact NH2-OD2 3.02Å; W685-D687 PolarHBondContact O-N 3.12Å; D687-V689 PolarHBondContact O-N 3.16Å; D687-V689 PolarHBondContact OD1-N 3.45Å; D687-N690 WeakPolarHBondContact O-CB 3.23Å; D687-N690 PolarHBondContact O-N 3.38Å | ||
| 688 | T | 59.7 | Low | 57 | Low | 63 Ų | 63 | 46.1 Ų | 46.1 | 39% | 0.387 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -43.8 | -30.5 | 175.9 | 55.4 | 0 | 0 | 0 | 0 | 113.8 | R692 T764 | T688-R692 WeakPolarHBondContact O-CB 3.47Å; T688-R692 PolarHBondContact O-N 3.27Å; T688-T764 HydrophobicContact CG2-CG2 4.44Å |
| 689 | V | 64.7 | Low | 58.2 | Low | 22 Ų | 22 | 44.5 Ų | 44.5 | 13% | 0.133 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -68.3 | -34.7 | 177.6 | 179.5 | 0 | 0 | 0 | 0 | 112.4 | E653 D687 R692 C693 | E653-V689 HydrophobicContact CG-CG1 3.93Å; D687-V689 PolarHBondContact O-N 3.16Å; D687-V689 PolarHBondContact OD1-N 3.45Å; V689-R692 WeakPolarHBondContact O-CB 3.4Å; V689-R692 PolarHBondContact O-N 2.97Å; V689-C693 PolarHBondContact O-N 3.36Å |
| 690 | N | 63.8 | Low | 59.3 | Low | 2 Ų | 2 | 45.4 Ų | 45.4 | 1% | 0.011 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -69 | -45.8 | 179.1 | -63.5 | -11.7 | 0 | 0 | 0 | 110.8 | L648 G649 R656 D687 R692 C693 L694 | L648-N690 HydrophobicContact CD2-CB 3.99Å; L648-N690 HydrophobicContact CG-CB 3.95Å; L648-N690 PolarHBondContact O-OD1 3.28Å; G649-N690 WeakPolarHBondContact CA-ND2 3.35Å; R656-N690 WeakPolarHBondContact CD-OD1 3Å; R656-N690 PolarHBondContact NH1-OD1 2.7Å; D687-N690 WeakPolarHBondContact O-CB 3.23Å; D687-N690 PolarHBondContact O-N 3.38Å; N690-R692 VanDerWaalsContact C-N 3.28Å; N690-R692 PolarHBondContact O-N 3.39Å; N690-C693 PolarHBondContact O-N 3.36Å; N690-L694 PolarHBondContact O-N 2.96Å |
| 691 | V | 62.1 | Low | 60.5 | Low | 5 Ų | 5 | 43.5 Ų | 43.5 | 3% | 0.03 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61.3 | -42 | 174.9 | -170.2 | 0 | 0 | 0 | 0 | 109.7 | C693 L694 V695 I760 T764 T765 | V691-C693 PolarHBondContact O-N 3.1Å; V691-L694 PolarHBondContact O-N 3.38Å; V691-V695 HydrophobicContact CG1-CG2 4.41Å; V691-V695 WeakPolarHBondContact O-CB 3.43Å; V691-V695 WeakPolarHBondContact O-CG2 3.23Å; V691-V695 PolarHBondContact O-N 2.94Å; V691-I760 HydrophobicContact CG1-CG2 4.25Å; V691-T764 WeakPolarHBondContact CB-OG1 3.38Å; V691-T764 WeakPolarHBondContact CG1-OG1 3.41Å; V691-T764 WeakPolarHBondContact CG2-OG1 3.41Å; V691-T765 HydrophobicContact CB-CG2 4.27Å; V691-T765 HydrophobicContact CG1-CG2 3.48Å; V691-T765 VanDerWaalsContact CG1-CG2 3.48Å |
| 692 | R | 65.8 | Low | 61.5 | Low | 62 Ų | 62 | 39.5 Ų | 39.5 | 23% | 0.234 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -56.3 | -46.9 | 172.8 | -171.2 | -167.8 | -63.8 | 165 | -2.9 | 112.4 | E653 T688 V689 N690 V695 K696 N769 | E653-R692 IonicContact OE1-NH1 2.97Å; E653-R692 PolarHBondContact OE1-NH1 3.32Å; T688-R692 WeakPolarHBondContact O-CB 3.47Å; T688-R692 PolarHBondContact O-N 3.27Å; V689-R692 WeakPolarHBondContact O-CB 3.4Å; V689-R692 PolarHBondContact O-N 2.97Å; N690-R692 VanDerWaalsContact C-N 3.28Å; N690-R692 PolarHBondContact O-N 3.39Å; R692-V695 PolarHBondContact O-N 3.5Å; R692-K696 WeakPolarHBondContact O-CG 3.39Å; R692-K696 PolarHBondContact O-N 2.93Å; R692-N769 WeakPolarHBondContact CG-ND2 3.37Å |
| 693 | C | 72.3 | Confident | 62.7 | Low | 6 Ų | 6 | 39.4 Ų | 39.4 | 4% | 0.041 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -65.8 | -42.2 | 178.5 | -77.8 | 0 | 0 | 0 | 0 | 112.8 | L648 R656 Q657 A660 V689 N690 V691 K696 A697 | L648-C693 HydrophobicContact CD1-CB 4.16Å; R656-C693 HydrophobicContact CB-CB 4.32Å; R656-C693 VanDerWaalsContact CB-SG 3.59Å; Q657-C693 PolarHBondContact NE2-O 3.33Å; Q657-C693 PolarHBondContact OE1-O 3.21Å; A660-C693 HydrophobicContact CB-CB 3.88Å; A660-C693 WeakPolarHBondContact CB-O 3.49Å; V689-C693 PolarHBondContact O-N 3.36Å; N690-C693 PolarHBondContact O-N 3.36Å; V691-C693 PolarHBondContact O-N 3.1Å; C693-K696 PolarHBondContact O-N 2.97Å; C693-A697 WeakPolarHBondContact O-CB 3.44Å; C693-A697 PolarHBondContact O-N 3.15Å |
| 694 | L | 70.8 | Confident | 64 | Low | 6 Ų | 6 | 43.6 Ų | 43.6 | 3% | 0.031 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -61 | -46.7 | 174.2 | -74.3 | 169.6 | 0 | 0 | 0 | 111.2 | L648 A660 I663 V664 L679 N690 V691 K696 A697 Y698 | L648-L694 HydrophobicContact CD2-CD1 3.67Å; L648-L694 HydrophobicContact CD2-CD2 3.98Å; L648-L694 HydrophobicContact CD2-CG 3.65Å; A660-L694 HydrophobicContact CB-CD2 4.02Å; A660-L694 HydrophobicContact CB-CG 4.36Å; I663-L694 HydrophobicContact CB-CD2 4.42Å; I663-L694 HydrophobicContact CD1-CD2 4.4Å; I663-L694 HydrophobicContact CG2-CD2 4.2Å; V664-L694 HydrophobicContact CG2-CD2 3.85Å; L679-L694 HydrophobicContact CD2-CD1 4.38Å; L679-L694 HydrophobicContact CD2-CD2 3.93Å; N690-L694 PolarHBondContact O-N 2.96Å; V691-L694 PolarHBondContact O-N 3.38Å; L694-K696 PolarHBondContact O-N 3.28Å; L694-A697 WeakPolarHBondContact O-CB 3.19Å; L694-A697 PolarHBondContact O-N 2.91Å; L694-A697 VanDerWaalsContact O-N 3.13Å; L694-Y698 WeakPolarHBondContact O-CD2 3.45Å; L694-Y698 PolarHBondContact O-N 3.33Å |
| 695 | V | 68.1 | Low | 65.2 | Low | 4 Ų | 4 | 40.1 Ų | 40.1 | 2% | 0.024 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -61.9 | -42.5 | 177.5 | 169.5 | 0 | 0 | 0 | 0 | 111.8 | V691 R692 A697 Y698 I699 I760 T765 N769 L773 | V691-V695 HydrophobicContact CG1-CG2 4.41Å; V691-V695 WeakPolarHBondContact O-CB 3.43Å; V691-V695 WeakPolarHBondContact O-CG2 3.23Å; V691-V695 PolarHBondContact O-N 2.94Å; R692-V695 PolarHBondContact O-N 3.5Å; V695-A697 VanDerWaalsContact C-N 3.32Å; V695-A697 PolarHBondContact O-N 3.07Å; V695-Y698 WeakPolarHBondContact O-CB 3.5Å; V695-Y698 PolarHBondContact O-N 3.39Å; V695-I699 HydrophobicContact CG1-CD1 3.99Å; V695-I699 VanDerWaalsContact O-CG1 3.31Å; V695-I699 WeakPolarHBondContact O-CG1 3.44Å; V695-I699 PolarHBondContact O-N 3.09Å; V695-I760 HydrophobicContact CG2-CG2 4.32Å; V695-T765 HydrophobicContact CG2-CG2 3.78Å; V695-N769 HydrophobicContact CG1-CB 4.13Å; V695-L773 HydrophobicContact CG1-CD2 4.21Å |
| 696 | K | 71.3 | Confident | 66.1 | Low | 65 Ų | 65 | 33.7 Ų | 33.7 | 28% | 0.283 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -60.8 | -40.4 | 172.9 | -77.4 | -178.2 | 177.9 | -177.5 | 0 | 112.5 | Q657 R692 C693 L694 I699 G700 L720 N769 | Q657-K696 VanDerWaalsContact OE1-CB 3.27Å; R692-K696 WeakPolarHBondContact O-CG 3.39Å; R692-K696 PolarHBondContact O-N 2.93Å; C693-K696 PolarHBondContact O-N 2.97Å; L694-K696 PolarHBondContact O-N 3.28Å; K696-I699 WeakPolarHBondContact O-CB 3.44Å; K696-I699 PolarHBondContact O-N 3Å; K696-G700 PolarHBondContact O-N 3.37Å; K696-L720 HydrophobicContact CB-CD1 4.1Å; K696-L720 HydrophobicContact CD-CD1 4.41Å; K696-L720 HydrophobicContact CG-CD1 3.96Å; K696-L720 HydrophobicContact CG-CD2 4.01Å; K696-N769 WeakPolarHBondContact CE-OD1 3.19Å |
| 697 | A | 74.1 | Confident | 67 | Low | 1 Ų | 1 | 28.5 Ų | 28.5 | 1% | 0.008 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -64.6 | -42.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | A660 D661 V664 C693 L694 V695 G700 V701 | A660-A697 HydrophobicContact CB-CB 3.97Å; D661-A697 WeakPolarHBondContact OD1-CA 3.28Å; D661-A697 VanDerWaalsContact OD1-CB 3.23Å; D661-A697 WeakPolarHBondContact OD1-CB 3.38Å; V664-A697 HydrophobicContact CB-CB 4.03Å; V664-A697 HydrophobicContact CG2-CB 3.78Å; C693-A697 WeakPolarHBondContact O-CB 3.44Å; C693-A697 PolarHBondContact O-N 3.15Å; L694-A697 WeakPolarHBondContact O-CB 3.19Å; L694-A697 PolarHBondContact O-N 2.91Å; L694-A697 VanDerWaalsContact O-N 3.13Å; V695-A697 VanDerWaalsContact C-N 3.32Å; V695-A697 PolarHBondContact O-N 3.07Å; A697-G700 PolarHBondContact O-N 2.88Å; A697-V701 WeakPolarHBondContact O-CG2 3.43Å; A697-V701 PolarHBondContact O-N 2.92Å |
| 698 | Y | 71 | Confident | 67.4 | Low | 7 Ų | 7 | 29.2 Ų | 29.2 | 3% | 0.027 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -60.4 | -46 | 172.5 | -85.4 | -70.4 | 0 | 0 | 0 | 112.3 | V664 L679 L694 V695 G700 V701 I702 L757 I760 | V664-Y698 HydrophobicContact CG1-CD1 3.54Å; V664-Y698 HydrophobicContact CG1-CD2 4.17Å; V664-Y698 HydrophobicContact CG1-CE1 3.63Å; V664-Y698 HydrophobicContact CG1-CE2 4.24Å; V664-Y698 HydrophobicContact CG1-CG 3.82Å; V664-Y698 HydrophobicContact CG2-CD2 3.82Å; V664-Y698 HydrophobicContact CG2-CE1 4.49Å; V664-Y698 HydrophobicContact CG2-CE2 3.66Å; V664-Y698 HydrophobicContact CG2-CG 4.29Å; L679-Y698 VanDerWaalsContact CD1-OH 3.25Å; L679-Y698 WeakPolarHBondContact CD1-OH 3.44Å; L694-Y698 WeakPolarHBondContact O-CD2 3.45Å; L694-Y698 PolarHBondContact O-N 3.33Å; V695-Y698 WeakPolarHBondContact O-CB 3.5Å; V695-Y698 PolarHBondContact O-N 3.39Å; Y698-G700 VanDerWaalsContact C-N 3.25Å; Y698-G700 PolarHBondContact O-N 3.43Å; Y698-V701 PolarHBondContact O-N 3.29Å; Y698-V701 VanDerWaalsContact O-N 3.15Å; Y698-I702 WeakPolarHBondContact O-CB 3.38Å; Y698-I702 WeakPolarHBondContact O-CD1 3.48Å; Y698-I702 WeakPolarHBondContact O-CG1 3.38Å; Y698-I702 PolarHBondContact O-N 3.26Å; Y698-L757 HydrophobicContact CD1-CD2 4.48Å; Y698-L757 HydrophobicContact CG-CD2 4.38Å; Y698-I760 HydrophobicContact CD2-CD1 3.61Å; Y698-I760 HydrophobicContact CE2-CD1 3.43Å; Y698-I760 VanDerWaalsContact CE2-CD1 3.43Å; Y698-I760 HydrophobicContact CG-CD1 4.37Å |
| 699 | I | 69 | Low | 67.5 | Low | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -54 | -45.4 | 174.8 | -74.4 | 164.5 | 0 | 0 | 0 | 110.5 | V695 K696 I702 A703 L720 N769 T772 L773 L776 | V695-I699 HydrophobicContact CG1-CD1 3.99Å; V695-I699 VanDerWaalsContact O-CG1 3.31Å; V695-I699 WeakPolarHBondContact O-CG1 3.44Å; V695-I699 PolarHBondContact O-N 3.09Å; K696-I699 WeakPolarHBondContact O-CB 3.44Å; K696-I699 PolarHBondContact O-N 3Å; I699-I702 PolarHBondContact O-N 3.2Å; I699-A703 VanDerWaalsContact O-CB 3.26Å; I699-A703 WeakPolarHBondContact O-CB 3.4Å; I699-A703 PolarHBondContact O-N 3.28Å; I699-L720 HydrophobicContact CD1-CD2 3.75Å; I699-L720 HydrophobicContact CG2-CD1 4.22Å; I699-L720 HydrophobicContact CG2-CD2 4.16Å; I699-L720 HydrophobicContact CG2-CG 4.02Å; I699-N769 HydrophobicContact CD1-CB 4.36Å; I699-N769 WeakPolarHBondContact CD1-O 3.39Å; I699-T772 HydrophobicContact CD1-CG2 4.08Å; I699-T772 HydrophobicContact CG1-CG2 4.37Å; I699-T772 HydrophobicContact CG2-CG2 3.75Å; I699-L773 HydrophobicContact CD1-CB 4.21Å; I699-L773 HydrophobicContact CG1-CB 4.1Å; I699-L773 HydrophobicContact CG1-CD1 4.09Å; I699-L776 HydrophobicContact CB-CD1 4.28Å; I699-L776 HydrophobicContact CG1-CD1 4.39Å; I699-L776 HydrophobicContact CG2-CD1 3.75Å |
| 700 | G | 71.1 | Confident | 67 | Low | 32 Ų | 32 | 28 Ų | 28 | 33% | 0.33 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -61.5 | -46.7 | 176 | 0 | 0 | 0 | 0 | 0 | 113.2 | K696 A697 Y698 A703 E704 | K696-G700 PolarHBondContact O-N 3.37Å; A697-G700 PolarHBondContact O-N 2.88Å; Y698-G700 VanDerWaalsContact C-N 3.25Å; Y698-G700 PolarHBondContact O-N 3.43Å; G700-A703 PolarHBondContact O-N 2.92Å; G700-E704 WeakPolarHBondContact O-CB 3.25Å; G700-E704 PolarHBondContact O-N 3.45Å |
| 701 | V | 71.3 | Confident | 66.7 | Low | 14 Ų | 14 | 36.4 Ų | 36.4 | 9% | 0.085 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -64.6 | -40.7 | 177.9 | 172.7 | 0 | 0 | 0 | 0 | 111.7 | V664 Q665 F668 A697 Y698 E704 Q705 | V664-V701 HydrophobicContact CG1-CB 4.36Å; V664-V701 HydrophobicContact CG1-CG2 3.9Å; Q665-V701 HydrophobicContact CG-CG2 3.77Å; F668-V701 HydrophobicContact CB-CG1 4.26Å; F668-V701 HydrophobicContact CD1-CG1 4.02Å; F668-V701 HydrophobicContact CD2-CG1 4.02Å; F668-V701 HydrophobicContact CE1-CG1 4.4Å; F668-V701 HydrophobicContact CE2-CG1 4.41Å; F668-V701 HydrophobicContact CG-CG1 3.81Å; A697-V701 WeakPolarHBondContact O-CG2 3.43Å; A697-V701 PolarHBondContact O-N 2.92Å; Y698-V701 PolarHBondContact O-N 3.29Å; Y698-V701 VanDerWaalsContact O-N 3.15Å; V701-E704 PolarHBondContact O-N 3.4Å; V701-Q705 VanDerWaalsContact O-CG 3.27Å; V701-Q705 WeakPolarHBondContact O-CG 3.48Å; V701-Q705 PolarHBondContact O-N 3.44Å |
| 702 | I | 65.9 | Low | 66.6 | Low | 4 Ų | 4 | 36.6 Ų | 36.6 | 2% | 0.021 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -65.1 | -46.9 | 177.4 | -66.2 | 164.2 | 0 | 0 | 0 | 110.9 | Y698 I699 E704 Q705 L706 L753 L757 L773 L776 | Y698-I702 WeakPolarHBondContact O-CB 3.38Å; Y698-I702 WeakPolarHBondContact O-CD1 3.48Å; Y698-I702 WeakPolarHBondContact O-CG1 3.38Å; Y698-I702 PolarHBondContact O-N 3.26Å; I699-I702 PolarHBondContact O-N 3.2Å; I702-E704 VanDerWaalsContact C-N 3.3Å; I702-E704 PolarHBondContact O-N 3.39Å; I702-Q705 PolarHBondContact O-N 3.42Å; I702-L706 HydrophobicContact CG2-CD1 4.04Å; I702-L706 HydrophobicContact CG2-CG 4.38Å; I702-L706 WeakPolarHBondContact O-CB 3.34Å; I702-L706 WeakPolarHBondContact O-CG 3.38Å; I702-L706 PolarHBondContact O-N 2.81Å; I702-L753 HydrophobicContact CD1-CD1 3.99Å; I702-L753 HydrophobicContact CD1-CD2 3.94Å; I702-L753 HydrophobicContact CD1-CG 4.33Å; I702-L753 HydrophobicContact CG1-CD1 3.47Å; I702-L753 VanDerWaalsContact CG1-CD1 3.47Å; I702-L753 HydrophobicContact CG1-CD2 3.74Å; I702-L753 HydrophobicContact CG1-CG 4.14Å; I702-L753 HydrophobicContact CG2-CD2 4.48Å; I702-L757 HydrophobicContact CD1-CD1 4.06Å; I702-L773 HydrophobicContact CD1-CD1 3.62Å; I702-L776 HydrophobicContact CB-CD1 4.44Å; I702-L776 HydrophobicContact CG2-CB 3.94Å; I702-L776 HydrophobicContact CG2-CD1 4.27Å |
| 703 | A | 67.2 | Low | 66.4 | Low | 1 Ų | 1 | 38.7 Ų | 38.7 | 1% | 0.008 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -58.7 | -44.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111 | I699 G700 Q705 L706 K707 V714 | I699-A703 VanDerWaalsContact O-CB 3.26Å; I699-A703 WeakPolarHBondContact O-CB 3.4Å; I699-A703 PolarHBondContact O-N 3.28Å; G700-A703 PolarHBondContact O-N 2.92Å; A703-Q705 PolarHBondContact O-N 3.24Å; A703-L706 PolarHBondContact O-N 3.31Å; A703-K707 WeakPolarHBondContact O-CB 3.41Å; A703-K707 PolarHBondContact O-N 2.86Å; A703-V714 HydrophobicContact CB-CB 4.42Å; A703-V714 HydrophobicContact CB-CG1 4.03Å |
| 704 | E | 69.4 | Low | 66.1 | Low | 105 Ų | 105 | 38.6 Ų | 38.6 | 49% | 0.491 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -65.1 | -36.9 | 176.4 | -170.4 | 61.3 | -161.1 | 0 | 0 | 112.2 | G700 V701 I702 K707 T708 | G700-E704 WeakPolarHBondContact O-CB 3.25Å; G700-E704 PolarHBondContact O-N 3.45Å; V701-E704 PolarHBondContact O-N 3.4Å; I702-E704 VanDerWaalsContact C-N 3.3Å; I702-E704 PolarHBondContact O-N 3.39Å; E704-K707 PolarHBondContact O-N 3.4Å; E704-T708 HydrophobicContact CG-CG2 4.2Å; E704-T708 VanDerWaalsContact O-CB 3.28Å; E704-T708 WeakPolarHBondContact O-CB 3.22Å; E704-T708 WeakPolarHBondContact O-CG2 3.4Å; E704-T708 PolarHBondContact O-N 3.43Å; E704-T708 PolarHBondContact O-OG1 3.27Å; E704-T708 WeakPolarHBondContact OE1-CG2 3.3Å |
| 705 | Q | 66.4 | Low | 65.6 | Low | 52 Ų | 52 | 42 Ų | 42 | 24% | 0.243 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -67.1 | -43.1 | 173.2 | -71.2 | -66 | -26.4 | 0 | 0 | 112.1 | F668 V701 I702 A703 K707 T708 Q709 | F668-Q705 HydrophobicContact CE1-CG 3.83Å; F668-Q705 HydrophobicContact CZ-CG 4.14Å; V701-Q705 VanDerWaalsContact O-CG 3.27Å; V701-Q705 WeakPolarHBondContact O-CG 3.48Å; V701-Q705 PolarHBondContact O-N 3.44Å; I702-Q705 PolarHBondContact O-N 3.42Å; A703-Q705 PolarHBondContact O-N 3.24Å; Q705-K707 VanDerWaalsContact C-N 3.27Å; Q705-K707 PolarHBondContact O-N 3.02Å; Q705-T708 WeakPolarHBondContact CA-OG1 3.49Å; Q705-T708 PolarHBondContact O-N 3Å; Q705-T708 PolarHBondContact O-OG1 3.38Å; Q705-Q709 VanDerWaalsContact O-CB 3.25Å; Q705-Q709 WeakPolarHBondContact O-CB 3.2Å; Q705-Q709 PolarHBondContact O-N 3.22Å |
| 706 | L | 62.6 | Low | 65.1 | Low | 3 Ų | 3 | 42 Ų | 42 | 2% | 0.016 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -59.4 | -40.8 | 174.2 | -75 | 173.9 | 0 | 0 | 0 | 111.5 | I702 A703 F710 R711 V712 L776 I779 A780 | I702-L706 HydrophobicContact CG2-CD1 4.04Å; I702-L706 HydrophobicContact CG2-CG 4.38Å; I702-L706 WeakPolarHBondContact O-CB 3.34Å; I702-L706 WeakPolarHBondContact O-CG 3.38Å; I702-L706 PolarHBondContact O-N 2.81Å; A703-L706 PolarHBondContact O-N 3.31Å; L706-F710 HydrophobicContact CD2-CD2 3.98Å; L706-F710 CarbonylContact O-C 3.59Å; L706-F710 VanDerWaalsContact O-C 3.32Å; L706-F710 WeakPolarHBondContact O-CA 3.26Å; L706-F710 VanDerWaalsContact O-CB 3.32Å; L706-F710 WeakPolarHBondContact O-CB 3.31Å; L706-F710 PolarHBondContact O-N 2.87Å; L706-F710 VanDerWaalsContact O-N 3.07Å; L706-R711 PolarHBondContact O-N 3.42Å; L706-R711 VanDerWaalsContact O-N 3.08Å; L706-V712 HydrophobicContact CB-CB 4.33Å; L706-V712 PolarHBondContact O-N 3.14Å; L706-V712 VanDerWaalsContact O-N 3.13Å; L706-L776 HydrophobicContact CD1-CD2 3.62Å; L706-I779 HydrophobicContact CD1-CG2 4.29Å; L706-A780 HydrophobicContact CD2-CB 4.26Å |
| 707 | K | 65.8 | Low | 64.6 | Low | 84 Ų | 84 | 42 Ų | 42 | 37% | 0.365 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -67.3 | -51.1 | 175.5 | -172.3 | 173.7 | -174.7 | 160.4 | 0 | 112.6 | A703 E704 Q705 R711 V712 D713 | A703-K707 WeakPolarHBondContact O-CB 3.41Å; A703-K707 PolarHBondContact O-N 2.86Å; E704-K707 PolarHBondContact O-N 3.4Å; Q705-K707 VanDerWaalsContact C-N 3.27Å; Q705-K707 PolarHBondContact O-N 3.02Å; K707-R711 VanDerWaalsContact O-CA 3.31Å; K707-R711 WeakPolarHBondContact O-CA 3.44Å; K707-R711 PolarHBondContact O-N 3.34Å; K707-V712 VanDerWaalsContact CA-O 3.22Å; K707-V712 WeakPolarHBondContact CA-O 3.3Å; K707-V712 PolarHBondContact N-O 3.46Å; K707-D713 WeakPolarHBondContact CE-OD1 3.32Å; K707-D713 IonicContact NZ-OD1 2.79Å; K707-D713 PolarHBondContact NZ-OD1 3.09Å |
| 708 | T | 63.5 | Low | 64 | Low | 75 Ų | 75 | 46.9 Ų | 46.9 | 46% | 0.46 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -76.7 | -39 | -172.6 | 54.4 | 0 | 0 | 0 | 0 | 113.3 | E704 Q705 | E704-T708 HydrophobicContact CG-CG2 4.2Å; E704-T708 VanDerWaalsContact O-CB 3.28Å; E704-T708 WeakPolarHBondContact O-CB 3.22Å; E704-T708 WeakPolarHBondContact O-CG2 3.4Å; E704-T708 PolarHBondContact O-N 3.43Å; E704-T708 PolarHBondContact O-OG1 3.27Å; E704-T708 WeakPolarHBondContact OE1-CG2 3.3Å; Q705-T708 WeakPolarHBondContact CA-OG1 3.49Å; Q705-T708 PolarHBondContact O-N 3Å; Q705-T708 PolarHBondContact O-OG1 3.38Å |
| 709 | Q | 61 | Low | 63.6 | Low | 54 Ų | 54 | 47 Ų | 47 | 25% | 0.252 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -90.8 | -36.9 | -178.2 | -59.6 | -162.6 | 1.8 | 0 | 0 | 113.1 | Q705 | Q705-Q709 VanDerWaalsContact O-CB 3.25Å; Q705-Q709 WeakPolarHBondContact O-CB 3.2Å; Q705-Q709 PolarHBondContact O-N 3.22Å |
| 710 | F | 53.9 | Low | 63.1 | Low | 5 Ų | 5 | 48.8 Ų | 48.8 | 2% | 0.022 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -116.7 | -0.7 | -169.1 | -56.1 | -81.6 | 0 | 0 | 0 | 114.3 | L706 V712 L741 T745 L750 V783 | L706-F710 HydrophobicContact CD2-CD2 3.98Å; L706-F710 CarbonylContact O-C 3.59Å; L706-F710 VanDerWaalsContact O-C 3.32Å; L706-F710 WeakPolarHBondContact O-CA 3.26Å; L706-F710 VanDerWaalsContact O-CB 3.32Å; L706-F710 WeakPolarHBondContact O-CB 3.31Å; L706-F710 PolarHBondContact O-N 2.87Å; L706-F710 VanDerWaalsContact O-N 3.07Å; F710-V712 HydrophobicContact CB-CG2 3.99Å; F710-V712 PolarHBondContact O-N 3.42Å; F710-V712 VanDerWaalsContact O-N 3.16Å; F710-L741 HydrophobicContact CD1-CD2 3.52Å; F710-L741 HydrophobicContact CD1-CG 4.42Å; F710-L741 HydrophobicContact CE1-CD2 3.55Å; F710-T745 HydrophobicContact CD1-CG2 4.46Å; F710-T745 HydrophobicContact CE1-CG2 3.94Å; F710-T745 HydrophobicContact CZ-CG2 4.33Å; F710-L750 HydrophobicContact CE2-CD1 3.76Å; F710-L750 HydrophobicContact CZ-CD1 3.75Å; F710-V783 HydrophobicContact CB-CG1 3.76Å; F710-V783 HydrophobicContact CD1-CG1 3.2Å; F710-V783 HydrophobicContact CD2-CG1 4.41Å; F710-V783 HydrophobicContact CE1-CG1 3.83Å; F710-V783 HydrophobicContact CG-CG1 3.54Å |
| 711 | R | 58.1 | Low | 62.5 | Low | 179 Ų | 179 | 51.3 Ų | 51.3 | 68% | 0.675 | 27% | 0.269 | S | S | * | . | trans | 55 | 26.3 | -177.9 | -62.7 | -178.1 | 168.3 | -172.7 | -5.1 | 114 | L706 K707 D713 | L706-R711 PolarHBondContact O-N 3.42Å; L706-R711 VanDerWaalsContact O-N 3.08Å; K707-R711 VanDerWaalsContact O-CA 3.31Å; K707-R711 WeakPolarHBondContact O-CA 3.44Å; K707-R711 PolarHBondContact O-N 3.34Å; R711-D713 PolarHBondContact O-N 3.06Å | ||
| 712 | V | 59.6 | Low | 62 | Low | 10 Ų | 10 | 53.1 Ų | 53.1 | 6% | 0.061 | 28% | 0.279 | C | S | . | . | trans | -82.1 | 108.9 | 169.3 | -163.9 | 0 | 0 | 0 | 0 | 105.8 | L706 K707 F710 V714 L733 V783 | L706-V712 HydrophobicContact CB-CB 4.33Å; L706-V712 PolarHBondContact O-N 3.14Å; L706-V712 VanDerWaalsContact O-N 3.13Å; K707-V712 VanDerWaalsContact CA-O 3.22Å; K707-V712 WeakPolarHBondContact CA-O 3.3Å; K707-V712 PolarHBondContact N-O 3.46Å; F710-V712 HydrophobicContact CB-CG2 3.99Å; F710-V712 PolarHBondContact O-N 3.42Å; F710-V712 VanDerWaalsContact O-N 3.16Å; V712-V714 HydrophobicContact CB-CG2 3.94Å; V712-V714 HydrophobicContact CG1-CG2 3.41Å; V712-V714 VanDerWaalsContact CG1-CG2 3.41Å; V712-V714 PolarHBondContact O-N 3.34Å; V712-L733 HydrophobicContact CG1-CD2 3.82Å; V712-V783 HydrophobicContact CG2-CG2 4.01Å | ||
| 713 | D | 62.8 | Low | 61.6 | Low | 106 Ų | 106 | 58.7 Ų | 58.7 | 57% | 0.567 | 31% | 0.308 | S | S | * | . | trans | -72.5 | 83.7 | -177.9 | -164.9 | 21 | 0 | 0 | 0 | 110 | K707 R711 | K707-D713 WeakPolarHBondContact CE-OD1 3.32Å; K707-D713 IonicContact NZ-OD1 2.79Å; K707-D713 PolarHBondContact NZ-OD1 3.09Å; R711-D713 PolarHBondContact O-N 3.06Å | ||
| 714 | V | 64.3 | Low | 61 | Low | 3 Ų | 3 | 63.2 Ų | 63.2 | 2% | 0.018 | 33% | 0.332 | C | S | . | . | trans | -118.1 | 108.4 | -178.7 | -173.5 | 0 | 0 | 0 | 0 | 107.5 | A703 V712 L719 L729 L776 | A703-V714 HydrophobicContact CB-CB 4.42Å; A703-V714 HydrophobicContact CB-CG1 4.03Å; V712-V714 HydrophobicContact CB-CG2 3.94Å; V712-V714 HydrophobicContact CG1-CG2 3.41Å; V712-V714 VanDerWaalsContact CG1-CG2 3.41Å; V712-V714 PolarHBondContact O-N 3.34Å; V714-L719 HydrophobicContact CG1-CD1 3.14Å; V714-L719 HydrophobicContact CG1-CD2 4.39Å; V714-L719 HydrophobicContact CG1-CG 3.76Å; V714-L729 HydrophobicContact CB-CD1 4.39Å; V714-L729 HydrophobicContact CG1-CD1 3.86Å; V714-L729 HydrophobicContact CG2-CD1 3.74Å; V714-L776 HydrophobicContact CG1-CD2 3.81Å | ||
| 715 | D | 60.8 | Low | 60.3 | Low | 77 Ų | 77 | 58.4 Ų | 58.4 | 41% | 0.412 | 31% | 0.31 | S | S | . | . | trans | -88.5 | 114.7 | 168 | -170.6 | -25.5 | 0 | 0 | 0 | 108.8 | A717 I718 L719 | D715-A717 PolarHBondContact O-N 2.8Å; D715-A717 WeakPolarHBondContact OD1-CB 3.38Å; D715-A717 PolarHBondContact OD1-N 2.92Å; D715-I718 HydrophobicContact CB-CB 4.15Å; D715-I718 HydrophobicContact CB-CD1 3.75Å; D715-I718 HydrophobicContact CB-CG1 3.8Å; D715-I718 PolarHBondContact O-N 3.48Å; D715-I718 VanDerWaalsContact O-N 3.07Å; D715-L719 PolarHBondContact O-N 3.46Å; D715-L719 VanDerWaalsContact O-N 3.07Å | ||
| 716 | G | 58.2 | Low | 59.7 | Low | 6 Ų | 6 | 57.3 Ų | 57.3 | 6% | 0.062 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -56.8 | -30.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | L719 L720 | G716-L719 PolarHBondContact O-N 3.33Å; G716-L720 VanDerWaalsContact O-CG 3.3Å; G716-L720 WeakPolarHBondContact O-CG 3.29Å; G716-L720 PolarHBondContact O-N 3.4Å |
| 717 | A | 60.6 | Low | 59.3 | Low | 63 Ų | 63 | 61.1 Ų | 61.1 | 52% | 0.521 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -70.8 | -37.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | D715 L719 L720 S721 | D715-A717 PolarHBondContact O-N 2.8Å; D715-A717 WeakPolarHBondContact OD1-CB 3.38Å; D715-A717 PolarHBondContact OD1-N 2.92Å; A717-L719 VanDerWaalsContact C-N 3.34Å; A717-L720 PolarHBondContact O-N 2.89Å; A717-S721 PolarHBondContact O-N 3.42Å; A717-S721 PolarHBondContact O-OG 3.1Å |
| 718 | I | 61.9 | Low | 58.9 | Low | 104 Ų | 104 | 59.7 Ų | 59.7 | 53% | 0.533 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -66.1 | -42 | 175 | -61.3 | 179.2 | 0 | 0 | 0 | 109.4 | D715 L720 S721 N722 | D715-I718 HydrophobicContact CB-CB 4.15Å; D715-I718 HydrophobicContact CB-CD1 3.75Å; D715-I718 HydrophobicContact CB-CG1 3.8Å; D715-I718 PolarHBondContact O-N 3.48Å; D715-I718 VanDerWaalsContact O-N 3.07Å; I718-L720 VanDerWaalsContact C-N 3.33Å; I718-L720 PolarHBondContact O-N 2.99Å; I718-S721 WeakPolarHBondContact CA-OG 3.28Å; I718-S721 PolarHBondContact O-N 3.47Å; I718-S721 PolarHBondContact O-OG 3.4Å; I718-N722 PolarHBondContact O-N 3.39Å; I718-N722 VanDerWaalsContact O-N 3.14Å |
| 719 | L | 61.7 | Low | 58.6 | Low | 10 Ų | 10 | 56.6 Ų | 56.6 | 5% | 0.052 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -65.4 | -32 | 177.9 | -70.3 | -173.6 | 0 | 0 | 0 | 114.6 | V714 D715 G716 A717 A725 L729 T772 L776 | V714-L719 HydrophobicContact CG1-CD1 3.14Å; V714-L719 HydrophobicContact CG1-CD2 4.39Å; V714-L719 HydrophobicContact CG1-CG 3.76Å; D715-L719 PolarHBondContact O-N 3.46Å; D715-L719 VanDerWaalsContact O-N 3.07Å; G716-L719 PolarHBondContact O-N 3.33Å; A717-L719 VanDerWaalsContact C-N 3.34Å; L719-A725 HydrophobicContact CB-CB 4.35Å; L719-A725 HydrophobicContact CD2-CB 3.94Å; L719-A725 WeakPolarHBondContact O-CB 3.29Å; L719-L729 HydrophobicContact CD1-CD1 4.36Å; L719-L729 HydrophobicContact CD1-CD2 3.91Å; L719-L729 HydrophobicContact CD2-CB 4.01Å; L719-L729 HydrophobicContact CD2-CD1 3.73Å; L719-L729 HydrophobicContact CD2-CD2 3.8Å; L719-L729 HydrophobicContact CD2-CG 4.07Å; L719-T772 HydrophobicContact CB-CG2 3.7Å; L719-T772 HydrophobicContact CD1-CG2 4.13Å; L719-T772 PolarHBondContact O-OG1 3.01Å; L719-L776 HydrophobicContact CD1-CD1 3.98Å; L719-L776 HydrophobicContact CD1-CD2 3.58Å; L719-L776 HydrophobicContact CD1-CG 3.89Å |
| 720 | L | 59 | Low | 58.2 | Low | 38 Ų | 38 | 57.1 Ų | 57.1 | 20% | 0.199 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -79 | -23.8 | 177.6 | -73.6 | 171.6 | 0 | 0 | 0 | 112.7 | K696 I699 G716 A717 I718 K768 N769 T772 | K696-L720 HydrophobicContact CB-CD1 4.1Å; K696-L720 HydrophobicContact CD-CD1 4.41Å; K696-L720 HydrophobicContact CG-CD1 3.96Å; K696-L720 HydrophobicContact CG-CD2 4.01Å; I699-L720 HydrophobicContact CD1-CD2 3.75Å; I699-L720 HydrophobicContact CG2-CD1 4.22Å; I699-L720 HydrophobicContact CG2-CD2 4.16Å; I699-L720 HydrophobicContact CG2-CG 4.02Å; G716-L720 VanDerWaalsContact O-CG 3.3Å; G716-L720 WeakPolarHBondContact O-CG 3.29Å; G716-L720 PolarHBondContact O-N 3.4Å; A717-L720 PolarHBondContact O-N 2.89Å; I718-L720 VanDerWaalsContact C-N 3.33Å; I718-L720 PolarHBondContact O-N 2.99Å; L720-K768 WeakPolarHBondContact O-CE 3.31Å; L720-K768 PolarHBondContact O-NZ 3.41Å; L720-N769 WeakPolarHBondContact CD2-OD1 3.37Å; L720-T772 HydrophobicContact CD2-CG2 4.45Å |
| 721 | S | 59.1 | Low | 58.3 | Low | 84 Ų | 84 | 60.1 Ų | 60.1 | 59% | 0.587 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -89.5 | -30.6 | -177.5 | 52.4 | 0 | 0 | 0 | 0 | 113.6 | A717 I718 | A717-S721 PolarHBondContact O-N 3.42Å; A717-S721 PolarHBondContact O-OG 3.1Å; I718-S721 WeakPolarHBondContact CA-OG 3.28Å; I718-S721 PolarHBondContact O-N 3.47Å; I718-S721 PolarHBondContact O-OG 3.4Å |
| 722 | N | 60.3 | Low | 58.1 | Low | 53 Ų | 53 | 55.1 Ų | 55.1 | 28% | 0.283 | 31% | 0.306 | S | S | . | . | trans | -87.2 | 119.6 | -178.5 | -177 | 0.6 | 0 | 0 | 0 | 111.5 | I718 D724 A725 S728 | I718-N722 PolarHBondContact O-N 3.39Å; I718-N722 VanDerWaalsContact O-N 3.14Å; N722-D724 PolarHBondContact O-N 2.92Å; N722-D724 WeakPolarHBondContact OD1-CA 3.47Å; N722-D724 WeakPolarHBondContact OD1-CB 3.33Å; N722-D724 PolarHBondContact OD1-N 3.1Å; N722-A725 HydrophobicContact CB-CB 3.88Å; N722-A725 VanDerWaalsContact CG-N 3.28Å; N722-A725 WeakPolarHBondContact O-CB 3.37Å; N722-A725 PolarHBondContact O-N 2.69Å; N722-A725 PolarHBondContact OD1-N 3.39Å; N722-S728 PolarHBondContact ND2-OG 3.35Å | ||
| 723 | D | 57.4 | Low | 57.7 | Low | 121 Ų | 121 | 56.2 Ų | 56.2 | 65% | 0.647 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | -28.9 | 175.8 | -69.8 | -32.8 | 0 | 0 | 0 | 111.9 | A725 K768 | D723-A725 VanDerWaalsContact C-N 3.33Å; D723-K768 WeakPolarHBondContact OD1-CE 3.3Å; D723-K768 IonicContact OD1-NZ 3.37Å; D723-K768 PolarHBondContact OD1-NZ 3.32Å |
| 724 | D | 55 | Low | 57.1 | Low | 95 Ų | 95 | 58.3 Ų | 58.3 | 51% | 0.508 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.4 | 17.6 | 170.4 | -66.9 | -36.4 | 0 | 0 | 0 | 112 | N722 Y726 L727 S728 | N722-D724 PolarHBondContact O-N 2.92Å; N722-D724 WeakPolarHBondContact OD1-CA 3.47Å; N722-D724 WeakPolarHBondContact OD1-CB 3.33Å; N722-D724 PolarHBondContact OD1-N 3.1Å; D724-Y726 PolarHBondContact O-N 2.8Å; D724-Y726 VanDerWaalsContact O-N 3.08Å; D724-L727 HydrophobicContact CB-CB 4.42Å; D724-L727 PolarHBondContact O-N 2.91Å; D724-S728 WeakPolarHBondContact O-CB 3.46Å; D724-S728 PolarHBondContact O-N 3.01Å; D724-S728 PolarHBondContact O-OG 3.39Å |
| 725 | A | 55 | Low | 56.5 | Low | 4 Ų | 4 | 67.8 Ų | 67.8 | 3% | 0.033 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -50.7 | -37.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | L719 N722 D723 L729 | L719-A725 HydrophobicContact CB-CB 4.35Å; L719-A725 HydrophobicContact CD2-CB 3.94Å; L719-A725 WeakPolarHBondContact O-CB 3.29Å; N722-A725 HydrophobicContact CB-CB 3.88Å; N722-A725 VanDerWaalsContact CG-N 3.28Å; N722-A725 WeakPolarHBondContact O-CB 3.37Å; N722-A725 PolarHBondContact O-N 2.69Å; N722-A725 PolarHBondContact OD1-N 3.39Å; D723-A725 VanDerWaalsContact C-N 3.33Å; A725-L729 WeakPolarHBondContact O-CB 3.32Å; A725-L729 PolarHBondContact O-N 3.48Å |
| 726 | Y | 52.2 | Low | 56 | Low | 29 Ų | 29 | 68.1 Ų | 68.1 | 11% | 0.114 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -58.7 | -58.2 | 174.6 | -178 | -90.5 | 0 | 0 | 0 | 112.3 | D724 S728 L729 Y730 A775 F829 L833 | D724-Y726 PolarHBondContact O-N 2.8Å; D724-Y726 VanDerWaalsContact O-N 3.08Å; Y726-S728 VanDerWaalsContact C-N 3.25Å; Y726-S728 PolarHBondContact O-N 3.48Å; Y726-L729 PolarHBondContact O-N 3.5Å; Y726-Y730 HydrophobicContact CE1-CD2 4.43Å; Y726-Y730 HydrophobicContact CE1-CG 4.36Å; Y726-Y730 VanDerWaalsContact O-CB 3.23Å; Y726-Y730 WeakPolarHBondContact O-CB 3.14Å; Y726-Y730 PolarHBondContact O-N 3.33Å; Y726-Y730 WeakPolarHBondContact OH-CD2 3.4Å; Y726-A775 HydrophobicContact CD2-CB 3.41Å; Y726-A775 VanDerWaalsContact CD2-CB 3.41Å; Y726-A775 HydrophobicContact CE2-CB 3.65Å; Y726-F829 AromaticContact CD1-CE1 3.44Å; Y726-F829 HydrophobicContact CD1-CE1 3.44Å; Y726-F829 VanDerWaalsContact CD1-CE1 3.44Å; Y726-F829 AromaticContact CD1-CZ 3.32Å; Y726-F829 HydrophobicContact CD1-CZ 3.32Å; Y726-F829 AromaticContact CE1-CE1 3.86Å; Y726-F829 HydrophobicContact CE1-CE1 3.86Å; Y726-F829 AromaticContact CE1-CZ 3.48Å; Y726-F829 HydrophobicContact CE1-CZ 3.48Å; Y726-F829 VanDerWaalsContact CE1-CZ 3.48Å; Y726-F829 HydrophobicContact CG-CE1 4.03Å; Y726-F829 HydrophobicContact CG-CZ 4.34Å; Y726-L833 HydrophobicContact CD1-CD1 4.38Å; Y726-L833 HydrophobicContact CD2-CD2 3.95Å; Y726-L833 HydrophobicContact CE1-CD1 3.35Å; Y726-L833 HydrophobicContact CE1-CD2 4.22Å; Y726-L833 HydrophobicContact CE1-CG 4.31Å; Y726-L833 HydrophobicContact CE2-CD1 3.94Å; Y726-L833 HydrophobicContact CE2-CD2 3.1Å; Y726-L833 HydrophobicContact CE2-CG 4Å; Y726-L833 WeakPolarHBondContact OH-CD1 3.27Å; Y726-L833 WeakPolarHBondContact OH-CD2 3.26Å; Y726-L833 WeakPolarHBondContact OH-CG 3.41Å |
| 727 | L | 55.3 | Low | 55.6 | Low | 83 Ų | 83 | 71 Ų | 71 | 44% | 0.435 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -61.2 | -37.8 | -180 | -78.2 | 166.1 | 0 | 0 | 0 | 111.1 | D724 Y730 D731 | D724-L727 HydrophobicContact CB-CB 4.42Å; D724-L727 PolarHBondContact O-N 2.91Å; L727-Y730 PolarHBondContact O-N 3.4Å; L727-D731 WeakPolarHBondContact O-CB 3.33Å; L727-D731 PolarHBondContact O-N 2.96Å |
| 728 | S | 57.4 | Low | 55 | Low | 54 Ų | 54 | 74.8 Ų | 74.8 | 38% | 0.378 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -67.1 | -43.9 | 178.1 | -58.8 | 0 | 0 | 0 | 0 | 111.8 | N722 D724 Y726 H732 | N722-S728 PolarHBondContact ND2-OG 3.35Å; D724-S728 WeakPolarHBondContact O-CB 3.46Å; D724-S728 PolarHBondContact O-N 3.01Å; D724-S728 PolarHBondContact O-OG 3.39Å; Y726-S728 VanDerWaalsContact C-N 3.25Å; Y726-S728 PolarHBondContact O-N 3.48Å; S728-H732 WeakPolarHBondContact O-CB 3.43Å; S728-H732 PolarHBondContact O-N 2.92Å |
| 729 | L | 55.9 | Low | 54.4 | Low | 10 Ų | 10 | 71.5 Ų | 71.5 | 5% | 0.052 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -68.5 | -40.3 | 176.9 | -164.3 | 69.3 | 0 | 0 | 0 | 110.5 | V714 L719 A725 Y726 H732 L733 A775 L776 I779 | V714-L729 HydrophobicContact CB-CD1 4.39Å; V714-L729 HydrophobicContact CG1-CD1 3.86Å; V714-L729 HydrophobicContact CG2-CD1 3.74Å; L719-L729 HydrophobicContact CD1-CD1 4.36Å; L719-L729 HydrophobicContact CD1-CD2 3.91Å; L719-L729 HydrophobicContact CD2-CB 4.01Å; L719-L729 HydrophobicContact CD2-CD1 3.73Å; L719-L729 HydrophobicContact CD2-CD2 3.8Å; L719-L729 HydrophobicContact CD2-CG 4.07Å; A725-L729 WeakPolarHBondContact O-CB 3.32Å; A725-L729 PolarHBondContact O-N 3.48Å; Y726-L729 PolarHBondContact O-N 3.5Å; L729-H732 PolarHBondContact O-N 3.47Å; L729-L733 HydrophobicContact CG-CD1 4.46Å; L729-L733 WeakPolarHBondContact O-CB 3.33Å; L729-L733 WeakPolarHBondContact O-CD1 3.43Å; L729-L733 WeakPolarHBondContact O-CG 3.4Å; L729-L733 PolarHBondContact O-N 2.81Å; L729-A775 HydrophobicContact CD2-CB 4.45Å; L729-L776 HydrophobicContact CD2-CD2 4.19Å; L729-I779 HydrophobicContact CB-CD1 4.49Å; L729-I779 HydrophobicContact CD1-CD1 4.39Å; L729-I779 HydrophobicContact CD2-CD1 3.02Å; L729-I779 HydrophobicContact CG-CD1 3.41Å; L729-I779 VanDerWaalsContact CG-CD1 3.41Å |
| 730 | Y | 53.1 | Low | 53.6 | Low | 65 Ų | 65 | 76.2 Ų | 76.2 | 26% | 0.255 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -61.8 | -50.3 | 173.8 | -175.8 | -96.6 | 0 | 0 | 0 | 111.8 | Y726 L727 L733 K734 E837 | Y726-Y730 HydrophobicContact CE1-CD2 4.43Å; Y726-Y730 HydrophobicContact CE1-CG 4.36Å; Y726-Y730 VanDerWaalsContact O-CB 3.23Å; Y726-Y730 WeakPolarHBondContact O-CB 3.14Å; Y726-Y730 PolarHBondContact O-N 3.33Å; Y726-Y730 WeakPolarHBondContact OH-CD2 3.4Å; L727-Y730 PolarHBondContact O-N 3.4Å; Y730-L733 PolarHBondContact O-N 2.87Å; Y730-K734 HydrophobicContact CE1-CD 4.16Å; Y730-K734 WeakPolarHBondContact O-CB 3.24Å; Y730-K734 PolarHBondContact O-N 3.17Å; Y730-E837 HydrophobicContact CE2-CG 4.13Å; Y730-E837 VanDerWaalsContact CE2-OE1 3.25Å; Y730-E837 WeakPolarHBondContact CE2-OE1 3.36Å; Y730-E837 PolarHBondContact OH-OE1 3.41Å |
| 731 | D | 56.2 | Low | 53 | Low | 69 Ų | 69 | 76.3 Ų | 76.3 | 37% | 0.369 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -64.7 | -39.5 | 177 | -82.4 | -14.1 | 0 | 0 | 0 | 111.8 | L727 L733 K734 R735 | L727-D731 WeakPolarHBondContact O-CB 3.33Å; L727-D731 PolarHBondContact O-N 2.96Å; D731-L733 VanDerWaalsContact C-N 3.31Å; D731-L733 PolarHBondContact O-N 3.38Å; D731-K734 PolarHBondContact O-N 3.46Å; D731-R735 WeakPolarHBondContact O-CB 3.32Å; D731-R735 VanDerWaalsContact O-CG 3.26Å; D731-R735 WeakPolarHBondContact O-CG 3.47Å; D731-R735 PolarHBondContact O-N 3.25Å |
| 732 | H | 55.1 | Low | 52.4 | Low | 73 Ų | 73 | 80.2 Ų | 80.2 | 34% | 0.338 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -61.1 | -42.6 | 175.4 | -173.3 | 84.1 | 0 | 0 | 0 | 111 | S728 L729 R735 N736 | S728-H732 WeakPolarHBondContact O-CB 3.43Å; S728-H732 PolarHBondContact O-N 2.92Å; L729-H732 PolarHBondContact O-N 3.47Å; H732-R735 PolarHBondContact O-N 3.01Å; H732-N736 PolarHBondContact CD2-ND2 2.96Å; H732-N736 PolarHBondContact CE1-ND2 3.34Å; H732-N736 PolarHBondContact NE2-ND2 3.28Å; H732-N736 VanDerWaalsContact O-CB 3.29Å; H732-N736 WeakPolarHBondContact O-CB 3.37Å; H732-N736 PolarHBondContact O-N 2.91Å |
| 733 | L | 50.9 | Low | 51.8 | Low | 34 Ų | 34 | 88.5 Ų | 88.5 | 18% | 0.178 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -73.2 | -28.6 | 175.4 | -70.9 | 168.9 | 0 | 0 | 0 | 113.6 | V712 L729 Y730 D731 R735 I779 | V712-L733 HydrophobicContact CG1-CD2 3.82Å; L729-L733 HydrophobicContact CG-CD1 4.46Å; L729-L733 WeakPolarHBondContact O-CB 3.33Å; L729-L733 WeakPolarHBondContact O-CD1 3.43Å; L729-L733 WeakPolarHBondContact O-CG 3.4Å; L729-L733 PolarHBondContact O-N 2.81Å; Y730-L733 PolarHBondContact O-N 2.87Å; D731-L733 VanDerWaalsContact C-N 3.31Å; D731-L733 PolarHBondContact O-N 3.38Å; L733-R735 VanDerWaalsContact C-N 3.33Å; L733-I779 HydrophobicContact CD1-CB 4.2Å; L733-I779 HydrophobicContact CD1-CD1 3.35Å; L733-I779 HydrophobicContact CD1-CG1 3.32Å; L733-I779 HydrophobicContact CD1-CG2 3.86Å; L733-I779 HydrophobicContact CD2-CG2 4.44Å |
| 734 | K | 50 | Low | 51.1 | Low | 150 Ų | 150 | 87.8 Ų | 87.8 | 65% | 0.652 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -71.6 | -31.3 | 173.3 | -161.7 | 173.7 | -176.6 | 174.3 | 0 | 111.2 | Y730 D731 | Y730-K734 HydrophobicContact CE1-CD 4.16Å; Y730-K734 WeakPolarHBondContact O-CB 3.24Å; Y730-K734 PolarHBondContact O-N 3.17Å; D731-K734 PolarHBondContact O-N 3.46Å |
| 735 | R | 52.2 | Low | 50.8 | Low | 201 Ų | 201 | 85.2 Ų | 85.2 | 76% | 0.758 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -84.4 | -38.8 | 178.1 | -72.2 | 176.6 | -171.2 | -178.9 | 6.3 | 113.4 | D731 H732 L733 G737 | D731-R735 WeakPolarHBondContact O-CB 3.32Å; D731-R735 VanDerWaalsContact O-CG 3.26Å; D731-R735 WeakPolarHBondContact O-CG 3.47Å; D731-R735 PolarHBondContact O-N 3.25Å; H732-R735 PolarHBondContact O-N 3.01Å; L733-R735 VanDerWaalsContact C-N 3.33Å; R735-G737 PolarHBondContact O-N 3.24Å |
| 736 | N | 50 | Low | 50.6 | Low | 84 Ų | 84 | 90.1 Ų | 90.1 | 45% | 0.449 | 46% | 0.458 | S | S | . | . | S | Bend | trans | -89.3 | 99.4 | -180 | -68 | -16 | 0 | 0 | 0 | 108.9 | H732 | H732-N736 PolarHBondContact CD2-ND2 2.96Å; H732-N736 PolarHBondContact CE1-ND2 3.34Å; H732-N736 PolarHBondContact NE2-ND2 3.28Å; H732-N736 VanDerWaalsContact O-CB 3.29Å; H732-N736 WeakPolarHBondContact O-CB 3.37Å; H732-N736 PolarHBondContact O-N 2.91Å |
| 737 | G | 48.6 | Very low | 50.6 | Low | 67 Ų | 67 | 93 Ų | 93 | 69% | 0.691 | 47% | 0.474 | S | S | * | . | trans | -52.2 | 172.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | R735 | R735-G737 PolarHBondContact O-N 3.24Š| ||
| 738 | H | 49.7 | Very low | 50.6 | Low | 143 Ų | 143 | 91.6 Ų | 91.6 | 66% | 0.662 | 47% | 0.466 | S | S | * | . | S | Bend | trans | -35.7 | 123.7 | -164.7 | -69.8 | -67.8 | 0 | 0 | 0 | 115.8 | T740 D786 | H738-T740 PolarHBondContact O-N 3.19Å; H738-D786 IonicContact CE1-OD2 2.82Å; H738-D786 IonicContact ND1-OD1 3.93Å; H738-D786 IonicContact ND1-OD2 3.89Å; H738-D786 PolarHBondContact ND1-OD2 3.27Å; H738-D786 VanDerWaalsContact ND1-OD2 3.15Å |
| 739 | P | 48.5 | Very low | 50.4 | Low | 34 Ų | 34 | 90.7 Ų | 90.7 | 22% | 0.221 | 46% | 0.459 | C | S | . | . | P | Polyproline II helix | trans | -62.5 | 133.2 | 178.5 | 23.9 | -30.8 | 0 | 0 | 0 | 111 | V783 | P739-V783 HydrophobicContact CG-CG1 4.45Å; P739-V783 HydrophobicContact CG-CG2 4.2Å |
| 740 | T | 45.8 | Very low | 50.2 | Low | 110 Ų | 110 | 91.3 Ų | 91.3 | 68% | 0.675 | 46% | 0.462 | S | S | * | . | P | Polyproline II helix | trans | -92.6 | 118.2 | 178.8 | 39.7 | 0 | 0 | 0 | 0 | 110.4 | H738 | H738-T740 PolarHBondContact O-N 3.19Š|
| 741 | L | 45 | Very low | 50.2 | Low | 40 Ų | 40 | 93.6 Ų | 93.6 | 21% | 0.209 | 47% | 0.47 | C | S | . | . | P | Polyproline II helix | trans | -86.9 | 150.7 | 180 | -66.6 | 110.9 | 0 | 0 | 0 | 113.6 | F710 T745 A787 | F710-L741 HydrophobicContact CD1-CD2 3.52Å; F710-L741 HydrophobicContact CD1-CG 4.42Å; F710-L741 HydrophobicContact CE1-CD2 3.55Å; L741-T745 HydrophobicContact CD2-CG2 4.14Å; L741-T745 WeakPolarHBondContact CD2-OG1 3.19Å; L741-A787 HydrophobicContact CD1-CB 3.15Å; L741-A787 HydrophobicContact CD2-CB 3.4Å; L741-A787 HydrophobicContact CG-CB 3.86Å |
| 742 | R | 46.1 | Very low | 50.1 | Low | 165 Ų | 165 | 94.8 Ų | 94.8 | 62% | 0.623 | 47% | 0.469 | S | S | * | . | P | Polyproline II helix | trans | -72.8 | 133.2 | 161.1 | -77.3 | -178.1 | 169.9 | 175.4 | -2.2 | 109.2 | S744 T745 | R742-S744 PolarHBondContact O-N 2.86Å; R742-T745 PolarHBondContact O-N 3.49Å; R742-T745 PolarHBondContact O-OG1 3.27Å |
| 743 | K | 48.5 | Very low | 50 | Low | 227 Ų | 227 | 91.9 Ų | 91.9 | 99% | 0.987 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.3 | -2.4 | 179.2 | -77.4 | -176.9 | 173.2 | -178.9 | 0 | 116.8 | ||
| 744 | S | 43.8 | Very low | 50.1 | Low | 106 Ų | 106 | 90.4 Ų | 90.4 | 74% | 0.741 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -127.7 | 29.2 | -177 | 68.7 | 0 | 0 | 0 | 0 | 112.9 | R742 N746 | R742-S744 PolarHBondContact O-N 2.86Å; S744-N746 PolarHBondContact O-N 3.1Å |
| 745 | T | 47.6 | Very low | 50.3 | Low | 42 Ų | 42 | 86.9 Ų | 86.9 | 26% | 0.258 | 44% | 0.437 | S | S | . | . | trans | -71.5 | 104.5 | -179.8 | 6.6 | 0 | 0 | 0 | 0 | 109.6 | F710 L741 R742 L747 | F710-T745 HydrophobicContact CD1-CG2 4.46Å; F710-T745 HydrophobicContact CE1-CG2 3.94Å; F710-T745 HydrophobicContact CZ-CG2 4.33Å; L741-T745 HydrophobicContact CD2-CG2 4.14Å; L741-T745 WeakPolarHBondContact CD2-OG1 3.19Å; R742-T745 PolarHBondContact O-N 3.49Å; R742-T745 PolarHBondContact O-OG1 3.27Å; T745-L747 PolarHBondContact O-N 3.13Å | ||
| 746 | N | 51.7 | Low | 50.3 | Low | 106 Ų | 106 | 78 Ų | 78 | 57% | 0.567 | 40% | 0.404 | S | S | * | . | trans | -69.1 | 119.8 | 170.7 | -173.3 | -2.7 | 0 | 0 | 0 | 108 | S744 E748 P749 | S744-N746 PolarHBondContact O-N 3.1Å; N746-E748 PolarHBondContact O-N 2.85Å; N746-E748 WeakPolarHBondContact OD1-CB 3.43Å; N746-E748 PolarHBondContact OD1-N 3.44Å; N746-P749 WeakPolarHBondContact O-CD 3.39Å | ||
| 747 | L | 51.8 | Low | 50.3 | Low | 89 Ų | 89 | 74.6 Ų | 74.6 | 47% | 0.466 | 39% | 0.386 | S | S | . | . | S | Bend | trans | -77.2 | -10.9 | 177.8 | -68 | 172.3 | 0 | 0 | 0 | 112.6 | T745 P749 L750 R751 A784 | T745-L747 PolarHBondContact O-N 3.13Å; L747-P749 VanDerWaalsContact C-CD 3.5Å; L747-L750 WeakPolarHBondContact O-CB 3.18Å; L747-L750 PolarHBondContact O-N 3.14Å; L747-R751 PolarHBondContact O-N 3.24Å; L747-A784 HydrophobicContact CD2-CB 4.46Å |
| 748 | E | 54 | Low | 50.4 | Low | 55 Ų | 55 | 74.3 Ų | 74.3 | 26% | 0.257 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -58.4 | -40.6 | -177.6 | -172 | 64.6 | -170.7 | 0 | 0 | 114.5 | N746 L750 R751 R752 | N746-E748 PolarHBondContact O-N 2.85Å; N746-E748 WeakPolarHBondContact OD1-CB 3.43Å; N746-E748 PolarHBondContact OD1-N 3.44Å; E748-L750 VanDerWaalsContact C-N 3.27Å; E748-L750 PolarHBondContact O-N 3.11Å; E748-R751 PolarHBondContact O-N 3.46Å; E748-R751 WeakPolarHBondContact OE2-CD 3.34Å; E748-R751 IonicContact OE2-NH1 2.94Å; E748-R752 HydrophobicContact CG-CG 4.48Å; E748-R752 WeakPolarHBondContact O-CG 3.36Å; E748-R752 PolarHBondContact O-N 2.9Å; E748-R752 IonicContact OE1-CZ 2.71Å; E748-R752 IonicContact OE1-NE 2.8Å; E748-R752 PolarHBondContact OE1-NE 3.33Å; E748-R752 IonicContact OE1-NH2 2.65Å; E748-R752 PolarHBondContact OE1-NH2 3.19Å |
| 749 | P | 53.7 | Low | 50.3 | Low | 35 Ų | 35 | 71.6 Ų | 71.6 | 23% | 0.227 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -61.2 | -36.5 | 173.6 | -21.1 | 34.3 | 0 | 0 | 0 | 112.4 | F668 N746 L747 L753 | F668-P749 HydrophobicContact CZ-CB 4.38Å; N746-P749 WeakPolarHBondContact O-CD 3.39Å; L747-P749 VanDerWaalsContact C-CD 3.5Å; P749-L753 WeakPolarHBondContact O-CB 3.48Å; P749-L753 PolarHBondContact O-N 3.38Å |
| 750 | L | 52 | Low | 50.4 | Low | 22 Ų | 22 | 71.2 Ų | 71.2 | 12% | 0.115 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -72.1 | -40.6 | 178.2 | -147.2 | 119.4 | 0 | 0 | 0 | 110.8 | F710 L747 E748 L753 V754 A780 A784 | F710-L750 HydrophobicContact CE2-CD1 3.76Å; F710-L750 HydrophobicContact CZ-CD1 3.75Å; L747-L750 WeakPolarHBondContact O-CB 3.18Å; L747-L750 PolarHBondContact O-N 3.14Å; E748-L750 VanDerWaalsContact C-N 3.27Å; E748-L750 PolarHBondContact O-N 3.11Å; L750-L753 WeakPolarHBondContact O-CB 3.2Å; L750-L753 PolarHBondContact O-N 3.45Å; L750-V754 WeakPolarHBondContact O-CG2 3.45Å; L750-V754 PolarHBondContact O-N 3.44Å; L750-V754 VanDerWaalsContact O-N 3.07Å; L750-A780 HydrophobicContact CD1-CB 4.15Å; L750-A780 HydrophobicContact CD2-CB 4.37Å; L750-A780 HydrophobicContact CG-CB 4.46Å; L750-A784 HydrophobicContact CD2-CB 4.05Å |
| 751 | R | 53 | Low | 50.4 | Low | 113 Ų | 113 | 68.7 Ų | 68.7 | 43% | 0.426 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -60.3 | -48.5 | 173.8 | -173.9 | -171 | -175.9 | 175.1 | 7.7 | 111.8 | L747 E748 V754 N755 D800 | L747-R751 PolarHBondContact O-N 3.24Å; E748-R751 PolarHBondContact O-N 3.46Å; E748-R751 WeakPolarHBondContact OE2-CD 3.34Å; E748-R751 IonicContact OE2-NH1 2.94Å; R751-V754 PolarHBondContact O-N 2.99Å; R751-N755 PolarHBondContact O-N 2.98Å; R751-N755 VanDerWaalsContact O-N 3.09Å; R751-D800 IonicContact NH2-OD2 3.42Å |
| 752 | R | 54.4 | Low | 50.4 | Low | 95 Ų | 95 | 68.1 Ų | 68.1 | 36% | 0.358 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -68.2 | -37.9 | 178.4 | -69.6 | -174.5 | -170.6 | -166.7 | 0.2 | 111.9 | E748 V754 N755 H756 | E748-R752 HydrophobicContact CG-CG 4.48Å; E748-R752 WeakPolarHBondContact O-CG 3.36Å; E748-R752 PolarHBondContact O-N 2.9Å; E748-R752 IonicContact OE1-CZ 2.71Å; E748-R752 IonicContact OE1-NE 2.8Å; E748-R752 PolarHBondContact OE1-NE 3.33Å; E748-R752 IonicContact OE1-NH2 2.65Å; E748-R752 PolarHBondContact OE1-NH2 3.19Å; R752-V754 VanDerWaalsContact C-N 3.31Å; R752-V754 PolarHBondContact O-N 3.05Å; R752-N755 PolarHBondContact O-N 3.45Å; R752-H756 WeakPolarHBondContact O-CB 3.48Å; R752-H756 PolarHBondContact O-N 2.94Å |
| 753 | L | 53.4 | Low | 50.4 | Low | 11 Ų | 11 | 68.6 Ų | 68.6 | 6% | 0.058 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -55 | -47.6 | 172.4 | -175.9 | 95.4 | 0 | 0 | 0 | 111.3 | F668 I702 P749 L750 H756 L757 L777 | F668-L753 HydrophobicContact CD2-CD1 4.5Å; F668-L753 HydrophobicContact CE2-CB 4.4Å; F668-L753 HydrophobicContact CE2-CD1 3.61Å; F668-L753 HydrophobicContact CZ-CD1 4.24Å; I702-L753 HydrophobicContact CD1-CD1 3.99Å; I702-L753 HydrophobicContact CD1-CD2 3.94Å; I702-L753 HydrophobicContact CD1-CG 4.33Å; I702-L753 HydrophobicContact CG1-CD1 3.47Å; I702-L753 VanDerWaalsContact CG1-CD1 3.47Å; I702-L753 HydrophobicContact CG1-CD2 3.74Å; I702-L753 HydrophobicContact CG1-CG 4.14Å; I702-L753 HydrophobicContact CG2-CD2 4.48Å; P749-L753 WeakPolarHBondContact O-CB 3.48Å; P749-L753 PolarHBondContact O-N 3.38Å; L750-L753 WeakPolarHBondContact O-CB 3.2Å; L750-L753 PolarHBondContact O-N 3.45Å; L753-H756 PolarHBondContact O-N 3.39Å; L753-L757 HydrophobicContact CD2-CD1 4.12Å; L753-L757 HydrophobicContact CG-CD1 3.95Å; L753-L757 WeakPolarHBondContact O-CB 3.45Å; L753-L757 VanDerWaalsContact O-CG 3.29Å; L753-L757 WeakPolarHBondContact O-CG 3.42Å; L753-L757 PolarHBondContact O-N 3.27Å; L753-L777 HydrophobicContact CD2-CD2 4.32Å |
| 754 | V | 52.7 | Low | 50.3 | Low | 4 Ų | 4 | 60.6 Ų | 60.6 | 2% | 0.024 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -62.7 | -46.2 | 178 | 174.5 | 0 | 0 | 0 | 0 | 110.8 | L750 R751 R752 H756 L757 L758 L777 F781 V804 L808 | L750-V754 WeakPolarHBondContact O-CG2 3.45Å; L750-V754 PolarHBondContact O-N 3.44Å; L750-V754 VanDerWaalsContact O-N 3.07Å; R751-V754 PolarHBondContact O-N 2.99Å; R752-V754 VanDerWaalsContact C-N 3.31Å; R752-V754 PolarHBondContact O-N 3.05Å; V754-H756 VanDerWaalsContact C-N 3.33Å; V754-H756 PolarHBondContact O-N 3.23Å; V754-L757 PolarHBondContact O-N 3.49Å; V754-L758 HydrophobicContact CG1-CD1 4.18Å; V754-L758 VanDerWaalsContact O-CG 3.27Å; V754-L758 WeakPolarHBondContact O-CG 3.07Å; V754-L758 PolarHBondContact O-N 2.8Å; V754-L777 HydrophobicContact CG2-CD2 4.49Å; V754-F781 HydrophobicContact CG1-CZ 4.4Å; V754-F781 HydrophobicContact CG2-CE2 3.77Å; V754-F781 HydrophobicContact CG2-CZ 3.85Å; V754-V804 HydrophobicContact CB-CG1 4.36Å; V754-V804 HydrophobicContact CG1-CG1 3.59Å; V754-L808 HydrophobicContact CG1-CD1 4.31Å; V754-L808 HydrophobicContact CG1-CD2 4.39Å |
| 755 | N | 53.1 | Low | 50.6 | Low | 76 Ų | 76 | 56.6 Ų | 56.6 | 41% | 0.406 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -59.8 | -43.2 | 176.1 | -72.8 | -8.9 | 0 | 0 | 0 | 112.2 | R751 R752 L757 L758 T759 | R751-N755 PolarHBondContact O-N 2.98Å; R751-N755 VanDerWaalsContact O-N 3.09Å; R752-N755 PolarHBondContact O-N 3.45Å; N755-L757 PolarHBondContact O-N 3.41Å; N755-L758 WeakPolarHBondContact O-CB 3.42Å; N755-L758 PolarHBondContact O-N 3.19Å; N755-T759 PolarHBondContact O-N 3.33Å |
| 756 | H | 52 | Low | 51.1 | Low | 15 Ų | 15 | 58.1 Ų | 58.1 | 7% | 0.069 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -63.3 | -42.5 | 179.3 | -121 | -21.4 | 0 | 0 | 0 | 111.9 | E676 R752 L753 V754 L758 T759 | E676-H756 VanDerWaalsContact CB-CE1 3.43Å; E676-H756 WeakPolarHBondContact CB-CE1 3.3Å; E676-H756 WeakPolarHBondContact CG-CE1 3.46Å; E676-H756 IonicContact OE1-CD2 3.32Å; E676-H756 IonicContact OE1-CE1 3.91Å; E676-H756 IonicContact OE1-CG 2.74Å; E676-H756 IonicContact OE1-ND1 2.65Å; E676-H756 IonicContact OE1-NE2 2.75Å; R752-H756 WeakPolarHBondContact O-CB 3.48Å; R752-H756 PolarHBondContact O-N 2.94Å; L753-H756 PolarHBondContact O-N 3.39Å; V754-H756 VanDerWaalsContact C-N 3.33Å; V754-H756 PolarHBondContact O-N 3.23Å; H756-L758 VanDerWaalsContact C-N 3.32Å; H756-L758 PolarHBondContact O-N 2.68Å; H756-T759 PolarHBondContact O-N 3.06Å; H756-T759 VanDerWaalsContact O-N 3.1Å; H756-T759 PolarHBondContact O-OG1 2.91Å |
| 757 | L | 51 | Low | 51.3 | Low | 12 Ų | 12 | 56.6 Ų | 56.6 | 6% | 0.063 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -67.7 | -32.5 | 178.6 | -72.5 | 167.6 | 0 | 0 | 0 | 112.6 | Y698 I702 L753 V754 N755 T759 I760 L773 L777 | Y698-L757 HydrophobicContact CD1-CD2 4.48Å; Y698-L757 HydrophobicContact CG-CD2 4.38Å; I702-L757 HydrophobicContact CD1-CD1 4.06Å; L753-L757 HydrophobicContact CD2-CD1 4.12Å; L753-L757 HydrophobicContact CG-CD1 3.95Å; L753-L757 WeakPolarHBondContact O-CB 3.45Å; L753-L757 VanDerWaalsContact O-CG 3.29Å; L753-L757 WeakPolarHBondContact O-CG 3.42Å; L753-L757 PolarHBondContact O-N 3.27Å; V754-L757 PolarHBondContact O-N 3.49Å; N755-L757 PolarHBondContact O-N 3.41Å; L757-T759 PolarHBondContact O-N 3.41Å; L757-I760 HydrophobicContact CD2-CD1 3.58Å; L757-I760 PolarHBondContact O-N 3.49Å; L757-L773 HydrophobicContact CD1-CD1 4.23Å; L757-L773 HydrophobicContact CD2-CD1 4.04Å; L757-L773 HydrophobicContact CD2-CD2 4.01Å; L757-L777 HydrophobicContact CD1-CD1 4.12Å; L757-L777 HydrophobicContact CD1-CD2 3.58Å; L757-L777 HydrophobicContact CD1-CG 4.21Å |
| 758 | L | 49.6 | Very low | 51.7 | Low | 61 Ų | 61 | 55 Ų | 55 | 32% | 0.319 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -64 | -18 | 173.1 | -70.1 | 170.8 | 0 | 0 | 0 | 113 | V754 N755 H756 L808 | V754-L758 HydrophobicContact CG1-CD1 4.18Å; V754-L758 VanDerWaalsContact O-CG 3.27Å; V754-L758 WeakPolarHBondContact O-CG 3.07Å; V754-L758 PolarHBondContact O-N 2.8Å; N755-L758 WeakPolarHBondContact O-CB 3.42Å; N755-L758 PolarHBondContact O-N 3.19Å; H756-L758 VanDerWaalsContact C-N 3.32Å; H756-L758 PolarHBondContact O-N 2.68Å; L758-L808 HydrophobicContact CD2-CD1 3.72Å; L758-L808 HydrophobicContact CG-CD1 4.29Å |
| 759 | T | 49 | Very low | 52 | Low | 85 Ų | 85 | 52.6 Ų | 52.6 | 52% | 0.521 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -93.4 | -12.4 | 176.6 | 65.2 | 0 | 0 | 0 | 0 | 114.2 | N755 H756 L757 | N755-T759 PolarHBondContact O-N 3.33Å; H756-T759 PolarHBondContact O-N 3.06Å; H756-T759 VanDerWaalsContact O-N 3.1Å; H756-T759 PolarHBondContact O-OG1 2.91Å; L757-T759 PolarHBondContact O-N 3.41Å |
| 760 | I | 49.5 | Very low | 52.2 | Low | 26 Ų | 26 | 51.8 Ų | 51.8 | 13% | 0.133 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -74.7 | 131.8 | -179.8 | -58.8 | -177.1 | 0 | 0 | 0 | 109 | V691 V695 Y698 L757 V762 | V691-I760 HydrophobicContact CG1-CG2 4.25Å; V695-I760 HydrophobicContact CG2-CG2 4.32Å; Y698-I760 HydrophobicContact CD2-CD1 3.61Å; Y698-I760 HydrophobicContact CE2-CD1 3.43Å; Y698-I760 VanDerWaalsContact CE2-CD1 3.43Å; Y698-I760 HydrophobicContact CG-CD1 4.37Å; L757-I760 HydrophobicContact CD2-CD1 3.58Å; L757-I760 PolarHBondContact O-N 3.49Å; I760-V762 VanDerWaalsContact C-N 3.27Å; I760-V762 WeakPolarHBondContact O-CG2 3.38Å; I760-V762 PolarHBondContact O-N 3.07Å |
| 761 | P | 46.5 | Very low | 52.5 | Low | 57 Ų | 57 | 54.1 Ų | 54.1 | 37% | 0.37 | 27% | 0.269 | S | S | . | . | trans | -71.9 | 83 | 174.5 | 28.1 | -32.9 | 0 | 0 | 0 | 110.5 | A683 E763 T764 | A683-P761 HydrophobicContact CB-CG 3.89Å; P761-E763 PolarHBondContact O-N 3.25Å; P761-T764 PolarHBondContact O-OG1 3.28Å | ||
| 762 | V | 44.5 | Very low | 53 | Low | 28 Ų | 28 | 49.2 Ų | 49.2 | 17% | 0.17 | 25% | 0.252 | C | S | . | . | G | 310 helix | trans | -64.8 | -22.4 | -172.4 | -173.9 | 0 | 0 | 0 | 0 | 113.4 | I760 T764 T765 L770 L815 | I760-V762 VanDerWaalsContact C-N 3.27Å; I760-V762 WeakPolarHBondContact O-CG2 3.38Å; I760-V762 PolarHBondContact O-N 3.07Å; V762-T764 PolarHBondContact O-N 3.17Å; V762-T765 PolarHBondContact O-N 2.92Å; V762-T765 VanDerWaalsContact O-N 3.13Å; V762-T765 PolarHBondContact O-OG1 3.5Å; V762-L770 HydrophobicContact CG1-CD1 2.99Å; V762-L770 HydrophobicContact CG1-CG 4.46Å; V762-L815 HydrophobicContact CB-CD1 3.86Å; V762-L815 HydrophobicContact CG1-CD1 3.81Å; V762-L815 HydrophobicContact CG2-CD1 4.43Å |
| 763 | E | 46 | Very low | 53.5 | Low | 176 Ų | 176 | 45.2 Ų | 45.2 | 82% | 0.822 | 24% | 0.237 | S | C | * | . | G | 310 helix | trans | -55.6 | -21.4 | -176 | -62.2 | -178.8 | 168.9 | 0 | 0 | 114.3 | P761 L815 | P761-E763 PolarHBondContact O-N 3.25Å; E763-L815 HydrophobicContact CG-CD2 4.04Å |
| 764 | T | 46.4 | Very low | 53.9 | Low | 59 Ų | 59 | 45 Ų | 45 | 36% | 0.362 | 24% | 0.236 | S | C | . | . | G | 310 helix | trans | -97.6 | 4.2 | -174.9 | 56.8 | 0 | 0 | 0 | 0 | 114.3 | T688 V691 P761 V762 | T688-T764 HydrophobicContact CG2-CG2 4.44Å; V691-T764 WeakPolarHBondContact CB-OG1 3.38Å; V691-T764 WeakPolarHBondContact CG1-OG1 3.41Å; V691-T764 WeakPolarHBondContact CG2-OG1 3.41Å; P761-T764 PolarHBondContact O-OG1 3.28Å; V762-T764 PolarHBondContact O-N 3.17Å |
| 765 | T | 49.9 | Very low | 54.3 | Low | 21 Ų | 21 | 44.9 Ų | 44.9 | 13% | 0.129 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -98.4 | 141.6 | -169.2 | 59.5 | 0 | 0 | 0 | 0 | 113.5 | V691 V695 V762 L767 | V691-T765 HydrophobicContact CB-CG2 4.27Å; V691-T765 HydrophobicContact CG1-CG2 3.48Å; V691-T765 VanDerWaalsContact CG1-CG2 3.48Å; V695-T765 HydrophobicContact CG2-CG2 3.78Å; V762-T765 PolarHBondContact O-N 2.92Å; V762-T765 VanDerWaalsContact O-N 3.13Å; V762-T765 PolarHBondContact O-OG1 3.5Å; T765-L767 PolarHBondContact O-N 3.47Å |
| 766 | D | 58.8 | Low | 54.8 | Low | 74 Ų | 74 | 41.3 Ų | 41.3 | 40% | 0.396 | 22% | 0.216 | S | C | . | . | trans | -60.9 | 129.9 | 174.2 | 175.1 | -4 | 0 | 0 | 0 | 110.5 | K768 N769 L770 | D766-K768 PolarHBondContact O-N 3.19Å; D766-K768 PolarHBondContact OD1-N 3.23Å; D766-K768 VanDerWaalsContact OD1-N 3.14Å; D766-N769 PolarHBondContact O-N 2.9Å; D766-L770 PolarHBondContact O-N 3.4Å; D766-L770 VanDerWaalsContact O-N 3.13Å | ||
| 767 | L | 56.6 | Low | 55.2 | Low | 74 Ų | 74 | 40.9 Ų | 40.9 | 39% | 0.387 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -48.7 | -34 | -177 | -157.4 | 90.2 | 0 | 0 | 0 | 112.5 | T765 L770 R771 L830 | T765-L767 PolarHBondContact O-N 3.47Å; L767-L770 PolarHBondContact O-N 3.44Å; L767-R771 VanDerWaalsContact CD2-NH2 3.3Å; L767-R771 WeakPolarHBondContact O-CB 3.45Å; L767-R771 WeakPolarHBondContact O-CG 3.32Å; L767-R771 PolarHBondContact O-N 3.28Å; L767-L830 HydrophobicContact CD1-CD1 4.29Å; L767-L830 HydrophobicContact CG-CD1 4.28Å |
| 768 | K | 59.5 | Low | 55.6 | Low | 57 Ų | 57 | 41.3 Ų | 41.3 | 25% | 0.248 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -63.8 | -45.2 | 177.1 | -177.5 | 174.2 | 175.7 | 172.4 | 0 | 112.6 | L720 D723 D766 R771 T772 | L720-K768 WeakPolarHBondContact O-CE 3.31Å; L720-K768 PolarHBondContact O-NZ 3.41Å; D723-K768 WeakPolarHBondContact OD1-CE 3.3Å; D723-K768 IonicContact OD1-NZ 3.37Å; D723-K768 PolarHBondContact OD1-NZ 3.32Å; D766-K768 PolarHBondContact O-N 3.19Å; D766-K768 PolarHBondContact OD1-N 3.23Å; D766-K768 VanDerWaalsContact OD1-N 3.14Å; K768-R771 WeakPolarHBondContact O-CB 3.31Å; K768-R771 PolarHBondContact O-N 2.93Å; K768-T772 PolarHBondContact O-N 3.27Å; K768-T772 PolarHBondContact O-OG1 3.21Å |
| 769 | N | 60.1 | Low | 56.2 | Low | 4 Ų | 4 | 38.9 Ų | 38.9 | 2% | 0.021 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -71.9 | -36.8 | 179.4 | -56.9 | -61.2 | 0 | 0 | 0 | 110.7 | R692 V695 K696 I699 L720 D766 R771 T772 L773 | R692-N769 WeakPolarHBondContact CG-ND2 3.37Å; V695-N769 HydrophobicContact CG1-CB 4.13Å; K696-N769 WeakPolarHBondContact CE-OD1 3.19Å; I699-N769 HydrophobicContact CD1-CB 4.36Å; I699-N769 WeakPolarHBondContact CD1-O 3.39Å; L720-N769 WeakPolarHBondContact CD2-OD1 3.37Å; D766-N769 PolarHBondContact O-N 2.9Å; N769-R771 VanDerWaalsContact C-N 3.32Å; N769-R771 PolarHBondContact O-N 3.43Å; N769-T772 PolarHBondContact O-N 3.43Å; N769-L773 WeakPolarHBondContact O-CB 3.47Å; N769-L773 PolarHBondContact O-N 2.97Å |
| 770 | L | 59.1 | Low | 56.8 | Low | 18 Ų | 18 | 35 Ų | 35 | 9% | 0.094 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -57.2 | -46.6 | 172.1 | -168.1 | 83.8 | 0 | 0 | 0 | 111.1 | V762 D766 L767 T772 L773 V774 | V762-L770 HydrophobicContact CG1-CD1 2.99Å; V762-L770 HydrophobicContact CG1-CG 4.46Å; D766-L770 PolarHBondContact O-N 3.4Å; D766-L770 VanDerWaalsContact O-N 3.13Å; L767-L770 PolarHBondContact O-N 3.44Å; L770-T772 PolarHBondContact O-N 3.09Å; L770-L773 PolarHBondContact O-N 2.94Å; L770-V774 HydrophobicContact CG-CG2 4.3Å; L770-V774 WeakPolarHBondContact O-CB 3.46Å; L770-V774 WeakPolarHBondContact O-CG2 3.39Å; L770-V774 PolarHBondContact O-N 2.64Å |
| 771 | R | 58.4 | Low | 57.4 | Low | 71 Ų | 71 | 35.2 Ų | 35.2 | 27% | 0.268 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -55.6 | -51.2 | 176.1 | -76.2 | 169.5 | -177.5 | -175.7 | 2.3 | 111.6 | L767 K768 N769 L773 V774 A775 L830 | L767-R771 VanDerWaalsContact CD2-NH2 3.3Å; L767-R771 WeakPolarHBondContact O-CB 3.45Å; L767-R771 WeakPolarHBondContact O-CG 3.32Å; L767-R771 PolarHBondContact O-N 3.28Å; K768-R771 WeakPolarHBondContact O-CB 3.31Å; K768-R771 PolarHBondContact O-N 2.93Å; N769-R771 VanDerWaalsContact C-N 3.32Å; N769-R771 PolarHBondContact O-N 3.43Å; R771-L773 VanDerWaalsContact C-N 3.34Å; R771-L773 PolarHBondContact O-N 3.36Å; R771-V774 PolarHBondContact O-N 3.42Å; R771-A775 VanDerWaalsContact O-CB 3.3Å; R771-A775 WeakPolarHBondContact O-CB 3.06Å; R771-A775 PolarHBondContact O-N 3.13Å; R771-L830 HydrophobicContact CB-CD2 4.43Å; R771-L830 HydrophobicContact CG-CD1 3.75Å; R771-L830 HydrophobicContact CG-CD2 3.82Å; R771-L830 HydrophobicContact CG-CG 3.92Å |
| 772 | T | 62.3 | Low | 58 | Low | 10 Ų | 10 | 35.2 Ų | 35.2 | 6% | 0.061 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -62.9 | -41 | -179.9 | -57 | 0 | 0 | 0 | 0 | 112 | I699 L719 L720 K768 N769 L770 A775 L776 | I699-T772 HydrophobicContact CD1-CG2 4.08Å; I699-T772 HydrophobicContact CG1-CG2 4.37Å; I699-T772 HydrophobicContact CG2-CG2 3.75Å; L719-T772 HydrophobicContact CB-CG2 3.7Å; L719-T772 HydrophobicContact CD1-CG2 4.13Å; L719-T772 PolarHBondContact O-OG1 3.01Å; L720-T772 HydrophobicContact CD2-CG2 4.45Å; K768-T772 PolarHBondContact O-N 3.27Å; K768-T772 PolarHBondContact O-OG1 3.21Å; N769-T772 PolarHBondContact O-N 3.43Å; L770-T772 PolarHBondContact O-N 3.09Å; T772-A775 WeakPolarHBondContact O-CB 2.96Å; T772-A775 PolarHBondContact O-N 2.75Å; T772-L776 HydrophobicContact CG2-CD1 4.29Å; T772-L776 WeakPolarHBondContact O-CG 3.45Å; T772-L776 PolarHBondContact O-N 3.35Å |
| 773 | L | 64.7 | Low | 58.7 | Low | 11 Ų | 11 | 34.1 Ų | 34.1 | 6% | 0.058 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -64 | -49.2 | 177.3 | -178 | 67.5 | 0 | 0 | 0 | 111.7 | V695 I699 I702 L757 N769 L770 R771 A775 L776 L777 | V695-L773 HydrophobicContact CG1-CD2 4.21Å; I699-L773 HydrophobicContact CD1-CB 4.21Å; I699-L773 HydrophobicContact CG1-CB 4.1Å; I699-L773 HydrophobicContact CG1-CD1 4.09Å; I702-L773 HydrophobicContact CD1-CD1 3.62Å; L757-L773 HydrophobicContact CD1-CD1 4.23Å; L757-L773 HydrophobicContact CD2-CD1 4.04Å; L757-L773 HydrophobicContact CD2-CD2 4.01Å; N769-L773 WeakPolarHBondContact O-CB 3.47Å; N769-L773 PolarHBondContact O-N 2.97Å; L770-L773 PolarHBondContact O-N 2.94Å; R771-L773 VanDerWaalsContact C-N 3.34Å; R771-L773 PolarHBondContact O-N 3.36Å; L773-A775 VanDerWaalsContact C-N 3.3Å; L773-A775 PolarHBondContact O-N 3.07Å; L773-L776 PolarHBondContact O-N 3.24Å; L773-L777 HydrophobicContact CG-CD1 4.17Å; L773-L777 WeakPolarHBondContact O-CG 3.04Å; L773-L777 PolarHBondContact O-N 2.88Å |
| 774 | V | 61.6 | Low | 59.3 | Low | 6 Ų | 6 | 26 Ų | 26 | 4% | 0.036 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -59.9 | -41.9 | 177.8 | 171.8 | 0 | 0 | 0 | 0 | 110.6 | L770 R771 L777 V778 L830 V834 | L770-V774 HydrophobicContact CG-CG2 4.3Å; L770-V774 WeakPolarHBondContact O-CB 3.46Å; L770-V774 WeakPolarHBondContact O-CG2 3.39Å; L770-V774 PolarHBondContact O-N 2.64Å; R771-V774 PolarHBondContact O-N 3.42Å; V774-L777 WeakPolarHBondContact O-CB 3.39Å; V774-L777 PolarHBondContact O-N 3.5Å; V774-V778 HydrophobicContact CG1-CG2 4.49Å; V774-V778 WeakPolarHBondContact O-CG2 3.41Å; V774-V778 PolarHBondContact O-N 2.97Å; V774-L830 HydrophobicContact CB-CD2 4.42Å; V774-L830 HydrophobicContact CG1-CD2 4.32Å; V774-V834 HydrophobicContact CG1-CG2 3.45Å; V774-V834 VanDerWaalsContact CG1-CG2 3.45Å |
| 775 | A | 61.2 | Low | 59.8 | Low | 2 Ų | 2 | 23.5 Ų | 23.5 | 2% | 0.017 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -58.1 | -51.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112 | Y726 L729 R771 T772 L773 L777 V778 I779 | Y726-A775 HydrophobicContact CD2-CB 3.41Å; Y726-A775 VanDerWaalsContact CD2-CB 3.41Å; Y726-A775 HydrophobicContact CE2-CB 3.65Å; L729-A775 HydrophobicContact CD2-CB 4.45Å; R771-A775 VanDerWaalsContact O-CB 3.3Å; R771-A775 WeakPolarHBondContact O-CB 3.06Å; R771-A775 PolarHBondContact O-N 3.13Å; T772-A775 WeakPolarHBondContact O-CB 2.96Å; T772-A775 PolarHBondContact O-N 2.75Å; L773-A775 VanDerWaalsContact C-N 3.3Å; L773-A775 PolarHBondContact O-N 3.07Å; A775-L777 PolarHBondContact O-N 3.04Å; A775-V778 PolarHBondContact O-N 2.96Å; A775-I779 WeakPolarHBondContact O-CD1 3.36Å; A775-I779 WeakPolarHBondContact O-CG1 3.41Å; A775-I779 PolarHBondContact O-N 3.4Å |
| 776 | L | 63.4 | Low | 60.1 | Low | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -61.3 | -35.3 | 179 | -76.5 | 173 | 0 | 0 | 0 | 111.8 | I699 I702 L706 V714 L719 L729 T772 L773 I779 A780 | I699-L776 HydrophobicContact CB-CD1 4.28Å; I699-L776 HydrophobicContact CG1-CD1 4.39Å; I699-L776 HydrophobicContact CG2-CD1 3.75Å; I702-L776 HydrophobicContact CB-CD1 4.44Å; I702-L776 HydrophobicContact CG2-CB 3.94Å; I702-L776 HydrophobicContact CG2-CD1 4.27Å; L706-L776 HydrophobicContact CD1-CD2 3.62Å; V714-L776 HydrophobicContact CG1-CD2 3.81Å; L719-L776 HydrophobicContact CD1-CD1 3.98Å; L719-L776 HydrophobicContact CD1-CD2 3.58Å; L719-L776 HydrophobicContact CD1-CG 3.89Å; L729-L776 HydrophobicContact CD2-CD2 4.19Å; T772-L776 HydrophobicContact CG2-CD1 4.29Å; T772-L776 WeakPolarHBondContact O-CG 3.45Å; T772-L776 PolarHBondContact O-N 3.35Å; L773-L776 PolarHBondContact O-N 3.24Å; L776-I779 PolarHBondContact O-N 3.26Å; L776-A780 VanDerWaalsContact O-CB 3.31Å; L776-A780 WeakPolarHBondContact O-CB 3.38Å; L776-A780 PolarHBondContact O-N 3.28Å |
| 777 | L | 62.1 | Low | 60 | Low | 7 Ų | 7 | 20.2 Ų | 20.2 | 4% | 0.037 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -65.8 | -51.5 | 174.1 | -74.2 | 166.2 | 0 | 0 | 0 | 111.6 | L753 V754 L757 L773 V774 A775 I779 A780 F781 | L753-L777 HydrophobicContact CD2-CD2 4.32Å; V754-L777 HydrophobicContact CG2-CD2 4.49Å; L757-L777 HydrophobicContact CD1-CD1 4.12Å; L757-L777 HydrophobicContact CD1-CD2 3.58Å; L757-L777 HydrophobicContact CD1-CG 4.21Å; L773-L777 HydrophobicContact CG-CD1 4.17Å; L773-L777 WeakPolarHBondContact O-CG 3.04Å; L773-L777 PolarHBondContact O-N 2.88Å; V774-L777 WeakPolarHBondContact O-CB 3.39Å; V774-L777 PolarHBondContact O-N 3.5Å; A775-L777 PolarHBondContact O-N 3.04Å; L777-I779 PolarHBondContact O-N 3.2Å; L777-I779 VanDerWaalsContact O-N 3.16Å; L777-A780 WeakPolarHBondContact O-CB 3.23Å; L777-A780 PolarHBondContact O-N 2.93Å; L777-A780 VanDerWaalsContact O-N 3.08Å; L777-F781 VanDerWaalsContact O-CD2 3.28Å; L777-F781 WeakPolarHBondContact O-CD2 3.29Å; L777-F781 PolarHBondContact O-N 3.17Å |
| 778 | V | 58.8 | Low | 59.9 | Low | 21 Ų | 21 | 19.3 Ų | 19.3 | 13% | 0.127 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -54.3 | -37.9 | 176.3 | 171.4 | 0 | 0 | 0 | 0 | 110.6 | V774 A775 F781 K782 E837 | V774-V778 HydrophobicContact CG1-CG2 4.49Å; V774-V778 WeakPolarHBondContact O-CG2 3.41Å; V774-V778 PolarHBondContact O-N 2.97Å; A775-V778 PolarHBondContact O-N 2.96Å; V778-F781 PolarHBondContact O-N 3.34Å; V778-K782 WeakPolarHBondContact O-CB 2.83Å; V778-K782 PolarHBondContact O-N 3.11Å; V778-E837 HydrophobicContact CG1-CB 4.32Å |
| 779 | I | 61.9 | Low | 59.5 | Low | 10 Ų | 10 | 21.1 Ų | 21.1 | 5% | 0.051 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -71.1 | -46.5 | 177.4 | -65.9 | 164.5 | 0 | 0 | 0 | 111.6 | L706 L729 L733 A775 L776 L777 F781 K782 V783 | L706-I779 HydrophobicContact CD1-CG2 4.29Å; L729-I779 HydrophobicContact CB-CD1 4.49Å; L729-I779 HydrophobicContact CD1-CD1 4.39Å; L729-I779 HydrophobicContact CD2-CD1 3.02Å; L729-I779 HydrophobicContact CG-CD1 3.41Å; L729-I779 VanDerWaalsContact CG-CD1 3.41Å; L733-I779 HydrophobicContact CD1-CB 4.2Å; L733-I779 HydrophobicContact CD1-CD1 3.35Å; L733-I779 HydrophobicContact CD1-CG1 3.32Å; L733-I779 HydrophobicContact CD1-CG2 3.86Å; L733-I779 HydrophobicContact CD2-CG2 4.44Å; A775-I779 WeakPolarHBondContact O-CD1 3.36Å; A775-I779 WeakPolarHBondContact O-CG1 3.41Å; A775-I779 PolarHBondContact O-N 3.4Å; L776-I779 PolarHBondContact O-N 3.26Å; L777-I779 PolarHBondContact O-N 3.2Å; L777-I779 VanDerWaalsContact O-N 3.16Å; I779-F781 PolarHBondContact O-N 2.87Å; I779-K782 PolarHBondContact O-N 2.91Å; I779-K782 VanDerWaalsContact O-N 3.13Å; I779-V783 HydrophobicContact CG2-CG2 4.06Å; I779-V783 WeakPolarHBondContact O-CB 3.43Å; I779-V783 WeakPolarHBondContact O-CG2 3.22Å; I779-V783 PolarHBondContact O-N 3.4Å |
| 780 | A | 62 | Low | 59.2 | Low | 3 Ų | 3 | 25.5 Ų | 25.5 | 3% | 0.025 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -55.9 | -40.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | L706 L750 L776 L777 A784 | L706-A780 HydrophobicContact CD2-CB 4.26Å; L750-A780 HydrophobicContact CD1-CB 4.15Å; L750-A780 HydrophobicContact CD2-CB 4.37Å; L750-A780 HydrophobicContact CG-CB 4.46Å; L776-A780 VanDerWaalsContact O-CB 3.31Å; L776-A780 WeakPolarHBondContact O-CB 3.38Å; L776-A780 PolarHBondContact O-N 3.28Å; L777-A780 WeakPolarHBondContact O-CB 3.23Å; L777-A780 PolarHBondContact O-N 2.93Å; L777-A780 VanDerWaalsContact O-N 3.08Å; A780-A784 VanDerWaalsContact O-CB 3.22Å; A780-A784 WeakPolarHBondContact O-CB 3.15Å; A780-A784 PolarHBondContact O-N 3.41Å |
| 781 | F | 61 | Low | 59 | Low | 30 Ų | 30 | 28.5 Ų | 28.5 | 13% | 0.132 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -67.9 | -42.8 | 173.8 | -87.4 | -81.4 | 0 | 0 | 0 | 113 | V754 L777 V778 I779 A784 S785 F801 V804 T805 L808 | V754-F781 HydrophobicContact CG1-CZ 4.4Å; V754-F781 HydrophobicContact CG2-CE2 3.77Å; V754-F781 HydrophobicContact CG2-CZ 3.85Å; L777-F781 VanDerWaalsContact O-CD2 3.28Å; L777-F781 WeakPolarHBondContact O-CD2 3.29Å; L777-F781 PolarHBondContact O-N 3.17Å; V778-F781 PolarHBondContact O-N 3.34Å; I779-F781 PolarHBondContact O-N 2.87Å; F781-A784 PolarHBondContact O-N 3.2Å; F781-S785 WeakPolarHBondContact O-CB 3.33Å; F781-S785 PolarHBondContact O-N 3.16Å; F781-F801 AromaticContact CD1-CE2 3.88Å; F781-F801 HydrophobicContact CD1-CE2 3.88Å; F781-F801 AromaticContact CD1-CZ 3.72Å; F781-F801 HydrophobicContact CD1-CZ 3.72Å; F781-F801 AromaticContact CE1-CE2 3.9Å; F781-F801 HydrophobicContact CE1-CE2 3.9Å; F781-F801 HydrophobicContact CE1-CZ 4.1Å; F781-V804 HydrophobicContact CZ-CG1 4.42Å; F781-T805 WeakPolarHBondContact CE1-OG1 3.49Å; F781-L808 HydrophobicContact CD2-CD2 4.13Å; F781-L808 HydrophobicContact CE2-CD2 3.28Å; F781-L808 HydrophobicContact CZ-CD2 3.75Å |
| 782 | K | 59.3 | Low | 58.5 | Low | 58 Ų | 58 | 35 Ų | 35 | 25% | 0.252 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -61.8 | -44.3 | 175.6 | -178.4 | 174.7 | -179.3 | 173.6 | 0 | 111.4 | V778 I779 S785 D786 | V778-K782 WeakPolarHBondContact O-CB 2.83Å; V778-K782 PolarHBondContact O-N 3.11Å; I779-K782 PolarHBondContact O-N 2.91Å; I779-K782 VanDerWaalsContact O-N 3.13Å; K782-S785 WeakPolarHBondContact O-CB 3.47Å; K782-S785 PolarHBondContact O-N 2.95Å; K782-D786 WeakPolarHBondContact O-CB 3.38Å; K782-D786 PolarHBondContact O-N 3.26Å |
| 783 | V | 58.8 | Low | 57.9 | Low | 4 Ų | 4 | 39.1 Ų | 39.1 | 2% | 0.024 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -65.7 | -43.9 | 177.1 | 172.8 | 0 | 0 | 0 | 0 | 110.5 | F710 V712 P739 I779 S785 D786 A787 | F710-V783 HydrophobicContact CB-CG1 3.76Å; F710-V783 HydrophobicContact CD1-CG1 3.2Å; F710-V783 HydrophobicContact CD2-CG1 4.41Å; F710-V783 HydrophobicContact CE1-CG1 3.83Å; F710-V783 HydrophobicContact CG-CG1 3.54Å; V712-V783 HydrophobicContact CG2-CG2 4.01Å; P739-V783 HydrophobicContact CG-CG1 4.45Å; P739-V783 HydrophobicContact CG-CG2 4.2Å; I779-V783 HydrophobicContact CG2-CG2 4.06Å; I779-V783 WeakPolarHBondContact O-CB 3.43Å; I779-V783 WeakPolarHBondContact O-CG2 3.22Å; I779-V783 PolarHBondContact O-N 3.4Å; V783-S785 VanDerWaalsContact C-N 3.32Å; V783-S785 PolarHBondContact O-N 2.74Å; V783-D786 PolarHBondContact O-N 3.02Å; V783-A787 VanDerWaalsContact O-CB 3.25Å; V783-A787 WeakPolarHBondContact O-CB 3.46Å; V783-A787 PolarHBondContact O-N 2.89Å |
| 784 | A | 59.8 | Low | 57.1 | Low | 6 Ų | 6 | 40.3 Ų | 40.3 | 5% | 0.05 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -63.5 | -38 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | L747 L750 A780 F781 A787 W788 | L747-A784 HydrophobicContact CD2-CB 4.46Å; L750-A784 HydrophobicContact CD2-CB 4.05Å; A780-A784 VanDerWaalsContact O-CB 3.22Å; A780-A784 WeakPolarHBondContact O-CB 3.15Å; A780-A784 PolarHBondContact O-N 3.41Å; F781-A784 PolarHBondContact O-N 3.2Å; A784-A787 WeakPolarHBondContact O-CB 3.43Å; A784-A787 PolarHBondContact O-N 3.5Å; A784-W788 WeakPolarHBondContact O-CB 3.33Å; A784-W788 PolarHBondContact O-N 3.13Å |
| 785 | S | 56.1 | Low | 56.4 | Low | 7 Ų | 7 | 50.2 Ų | 50.2 | 5% | 0.049 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -67 | -47.6 | 175.6 | 178.1 | 0 | 0 | 0 | 0 | 112 | F781 K782 V783 A787 W788 R789 A845 | F781-S785 WeakPolarHBondContact O-CB 3.33Å; F781-S785 PolarHBondContact O-N 3.16Å; K782-S785 WeakPolarHBondContact O-CB 3.47Å; K782-S785 PolarHBondContact O-N 2.95Å; V783-S785 VanDerWaalsContact C-N 3.32Å; V783-S785 PolarHBondContact O-N 2.74Å; S785-A787 VanDerWaalsContact C-N 3.27Å; S785-A787 PolarHBondContact O-N 3.44Å; S785-W788 WeakPolarHBondContact O-CB 3.25Å; S785-W788 PolarHBondContact O-N 3.04Å; S785-R789 WeakPolarHBondContact O-CG 3.5Å; S785-R789 PolarHBondContact O-N 2.91Å; S785-A845 VanDerWaalsContact OG-CB 3.22Å; S785-A845 WeakPolarHBondContact OG-CB 3.14Å |
| 786 | D | 56.3 | Low | 55.8 | Low | 9 Ų | 9 | 55.4 Ų | 55.4 | 5% | 0.048 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -62.8 | -36.4 | 174.2 | -84.5 | -5.2 | 0 | 0 | 0 | 111.3 | H738 K782 V783 W788 R789 T790 | H738-D786 IonicContact CE1-OD2 2.82Å; H738-D786 IonicContact ND1-OD1 3.93Å; H738-D786 IonicContact ND1-OD2 3.89Å; H738-D786 PolarHBondContact ND1-OD2 3.27Å; H738-D786 VanDerWaalsContact ND1-OD2 3.15Å; K782-D786 WeakPolarHBondContact O-CB 3.38Å; K782-D786 PolarHBondContact O-N 3.26Å; V783-D786 PolarHBondContact O-N 3.02Å; D786-W788 VanDerWaalsContact C-N 3.32Å; D786-W788 PolarHBondContact O-N 2.89Å; D786-R789 WeakPolarHBondContact O-CB 3.18Å; D786-R789 PolarHBondContact O-N 3.37Å; D786-R789 IonicContact OD1-CZ 3.61Å; D786-R789 IonicContact OD1-NE 3.99Å; D786-R789 IonicContact OD1-NH1 2.75Å; D786-R789 PolarHBondContact OD1-NH1 3.23Å; D786-T790 PolarHBondContact O-N 3.22Å; D786-T790 VanDerWaalsContact O-N 3.09Å |
| 787 | A | 56.7 | Low | 55.2 | Low | 16 Ų | 16 | 56.3 Ų | 56.3 | 13% | 0.132 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -58.8 | -48 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | L741 V783 A784 S785 R789 T790 D791 | L741-A787 HydrophobicContact CD1-CB 3.15Å; L741-A787 HydrophobicContact CD2-CB 3.4Å; L741-A787 HydrophobicContact CG-CB 3.86Å; V783-A787 VanDerWaalsContact O-CB 3.25Å; V783-A787 WeakPolarHBondContact O-CB 3.46Å; V783-A787 PolarHBondContact O-N 2.89Å; A784-A787 WeakPolarHBondContact O-CB 3.43Å; A784-A787 PolarHBondContact O-N 3.5Å; S785-A787 VanDerWaalsContact C-N 3.27Å; S785-A787 PolarHBondContact O-N 3.44Å; A787-R789 VanDerWaalsContact C-N 3.34Å; A787-R789 PolarHBondContact O-N 3.48Å; A787-T790 PolarHBondContact O-N 2.84Å; A787-T790 PolarHBondContact O-OG1 3.46Å; A787-D791 PolarHBondContact O-N 2.94Å |
| 788 | W | 54.7 | Low | 54.7 | Low | 55 Ų | 55 | 59.3 Ų | 59.3 | 21% | 0.208 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -63 | -40.8 | 177.9 | -167.9 | 67.2 | 0 | 0 | 0 | 111.6 | A784 S785 D786 T790 D791 S794 N796 V797 | A784-W788 WeakPolarHBondContact O-CB 3.33Å; A784-W788 PolarHBondContact O-N 3.13Å; S785-W788 WeakPolarHBondContact O-CB 3.25Å; S785-W788 PolarHBondContact O-N 3.04Å; D786-W788 VanDerWaalsContact C-N 3.32Å; D786-W788 PolarHBondContact O-N 2.89Å; W788-T790 VanDerWaalsContact C-N 3.28Å; W788-T790 PolarHBondContact O-N 3.36Å; W788-D791 PolarHBondContact O-N 3.47Å; W788-D791 VanDerWaalsContact O-N 3.1Å; W788-S794 VanDerWaalsContact CE2-OG 3.27Å; W788-S794 WeakPolarHBondContact CZ2-O 3.27Å; W788-S794 PolarHBondContact NE1-OG 3.28Å; W788-N796 WeakPolarHBondContact CZ2-O 3.42Å; W788-V797 HydrophobicContact CE3-CG2 4.05Å; W788-V797 HydrophobicContact CH2-CB 4.08Å; W788-V797 HydrophobicContact CH2-CG2 3.19Å; W788-V797 VanDerWaalsContact CZ2-CA 3.48Å; W788-V797 HydrophobicContact CZ2-CB 4.27Å; W788-V797 HydrophobicContact CZ2-CG2 3.83Å; W788-V797 HydrophobicContact CZ3-CB 4.5Å; W788-V797 HydrophobicContact CZ3-CG2 3.31Å |
| 789 | R | 51.2 | Low | 54.3 | Low | 96 Ų | 96 | 61.6 Ų | 61.6 | 36% | 0.362 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -58.3 | -35.8 | 173.4 | -71.9 | 176.8 | -176.1 | 157.8 | 2.3 | 113.4 | S785 D786 A787 D791 C844 | S785-R789 WeakPolarHBondContact O-CG 3.5Å; S785-R789 PolarHBondContact O-N 2.91Å; D786-R789 WeakPolarHBondContact O-CB 3.18Å; D786-R789 PolarHBondContact O-N 3.37Å; D786-R789 IonicContact OD1-CZ 3.61Å; D786-R789 IonicContact OD1-NE 3.99Å; D786-R789 IonicContact OD1-NH1 2.75Å; D786-R789 PolarHBondContact OD1-NH1 3.23Å; A787-R789 VanDerWaalsContact C-N 3.34Å; A787-R789 PolarHBondContact O-N 3.48Å; R789-D791 VanDerWaalsContact C-N 3.32Å; R789-C844 PolarHBondContact NH2-O 3.16Å |
| 790 | T | 53.2 | Low | 53.8 | Low | 95 Ų | 95 | 65.6 Ų | 65.6 | 58% | 0.583 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -77.8 | -18.6 | 179.3 | 59.4 | 0 | 0 | 0 | 0 | 113.5 | D786 A787 W788 K792 | D786-T790 PolarHBondContact O-N 3.22Å; D786-T790 VanDerWaalsContact O-N 3.09Å; A787-T790 PolarHBondContact O-N 2.84Å; A787-T790 PolarHBondContact O-OG1 3.46Å; W788-T790 VanDerWaalsContact C-N 3.28Å; W788-T790 PolarHBondContact O-N 3.36Å; T790-K792 PolarHBondContact O-N 3.31Å; T790-K792 VanDerWaalsContact O-N 3.14Å |
| 791 | D | 54.7 | Low | 53.4 | Low | 82 Ų | 82 | 68.3 Ų | 68.3 | 44% | 0.439 | 35% | 0.346 | S | S | . | . | trans | -83.8 | 87 | 175.4 | -168.2 | -4.2 | 0 | 0 | 0 | 110.8 | A787 W788 R789 S793 S794 | A787-D791 PolarHBondContact O-N 2.94Å; W788-D791 PolarHBondContact O-N 3.47Å; W788-D791 VanDerWaalsContact O-N 3.1Å; R789-D791 VanDerWaalsContact C-N 3.32Å; D791-S793 VanDerWaalsContact CG-OG 3.31Å; D791-S793 PolarHBondContact O-N 2.98Å; D791-S793 WeakPolarHBondContact OD1-CB 3.4Å; D791-S793 PolarHBondContact OD1-N 3.39Å; D791-S793 PolarHBondContact OD1-OG 2.95Å; D791-S793 PolarHBondContact OD2-OG 3.49Å; D791-S794 PolarHBondContact O-N 3.37Å | ||
| 792 | K | 48.1 | Very low | 53 | Low | 206 Ų | 206 | 67.2 Ų | 67.2 | 90% | 0.896 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.6 | -11.2 | 179.1 | -68.2 | -175.3 | 177.7 | -177.6 | 0 | 114.8 | T790 | T790-K792 PolarHBondContact O-N 3.31Å; T790-K792 VanDerWaalsContact O-N 3.14Å |
| 793 | S | 49.7 | Very low | 52.7 | Low | 97 Ų | 97 | 66.3 Ų | 66.3 | 68% | 0.678 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.5 | -17.1 | -174.9 | 71.1 | 0 | 0 | 0 | 0 | 114.7 | D791 | D791-S793 VanDerWaalsContact CG-OG 3.31Å; D791-S793 PolarHBondContact O-N 2.98Å; D791-S793 WeakPolarHBondContact OD1-CB 3.4Å; D791-S793 PolarHBondContact OD1-N 3.39Å; D791-S793 PolarHBondContact OD1-OG 2.95Å; D791-S793 PolarHBondContact OD2-OG 3.49Å |
| 794 | S | 48.2 | Very low | 52.5 | Low | 37 Ų | 37 | 67.4 Ų | 67.4 | 26% | 0.259 | 35% | 0.348 | S | S | . | . | trans | -109.4 | 96.7 | -175.1 | 64.1 | 0 | 0 | 0 | 0 | 112 | W788 D791 N796 | W788-S794 VanDerWaalsContact CE2-OG 3.27Å; W788-S794 WeakPolarHBondContact CZ2-O 3.27Å; W788-S794 PolarHBondContact NE1-OG 3.28Å; D791-S794 PolarHBondContact O-N 3.37Å; S794-N796 VanDerWaalsContact C-N 3.28Å; S794-N796 PolarHBondContact O-N 3.43Å | ||
| 795 | R | 47.2 | Very low | 52.2 | Low | 213 Ų | 213 | 67.7 Ų | 67.7 | 80% | 0.804 | 35% | 0.349 | S | S | * | . | trans | -74.6 | -16.5 | 175.8 | -75.3 | -173.8 | 178.6 | -176.8 | -0.9 | 113.8 | ||||
| 796 | N | 48 | Very low | 52 | Low | 112 Ų | 112 | 67.4 Ų | 67.4 | 60% | 0.599 | 35% | 0.347 | S | S | * | . | S | Bend | trans | -121.1 | 127 | -175.6 | -64.5 | -17.4 | 0 | 0 | 0 | 110.3 | W788 S794 | W788-N796 WeakPolarHBondContact CZ2-O 3.42Å; S794-N796 VanDerWaalsContact C-N 3.28Å; S794-N796 PolarHBondContact O-N 3.43Å |
| 797 | V | 51.3 | Low | 51.9 | Low | 19 Ų | 19 | 72.6 Ų | 72.6 | 12% | 0.115 | 37% | 0.366 | C | S | . | . | trans | -61.1 | 132.2 | 170.3 | 179.2 | 0 | 0 | 0 | 0 | 108.4 | W788 T799 F801 V802 L846 | W788-V797 HydrophobicContact CE3-CG2 4.05Å; W788-V797 HydrophobicContact CH2-CB 4.08Å; W788-V797 HydrophobicContact CH2-CG2 3.19Å; W788-V797 VanDerWaalsContact CZ2-CA 3.48Å; W788-V797 HydrophobicContact CZ2-CB 4.27Å; W788-V797 HydrophobicContact CZ2-CG2 3.83Å; W788-V797 HydrophobicContact CZ3-CB 4.5Å; W788-V797 HydrophobicContact CZ3-CG2 3.31Å; V797-T799 PolarHBondContact O-N 2.58Å; V797-F801 HydrophobicContact CG1-CB 4.28Å; V797-F801 HydrophobicContact CG1-CD1 4.03Å; V797-V802 HydrophobicContact CB-CG2 4.47Å; V797-V802 HydrophobicContact CG1-CG2 3.68Å; V797-L846 HydrophobicContact CB-CD2 4.28Å; V797-L846 HydrophobicContact CG2-CD2 3.62Å | ||
| 798 | P | 52.5 | Low | 51.8 | Low | 70 Ų | 70 | 72.4 Ų | 72.4 | 46% | 0.455 | 36% | 0.363 | S | S | . | . | trans | -59.3 | 127.7 | 173.3 | -20.8 | 31.5 | 0 | 0 | 0 | 110.4 | D800 F801 | P798-D800 PolarHBondContact O-N 3.12Å; P798-D800 VanDerWaalsContact O-N 3.1Å; P798-F801 WeakPolarHBondContact O-CB 3.27Å; P798-F801 PolarHBondContact O-N 2.82Å | ||
| 799 | T | 50.4 | Low | 51.7 | Low | 69 Ų | 69 | 70.2 Ų | 70.2 | 42% | 0.423 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -50.4 | -38.6 | 178.3 | -43.6 | 0 | 0 | 0 | 0 | 111.7 | V797 F801 V802 V803 I895 | V797-T799 PolarHBondContact O-N 2.58Å; T799-F801 VanDerWaalsContact C-N 3.32Å; T799-F801 PolarHBondContact O-N 2.9Å; T799-V802 PolarHBondContact O-N 3.48Å; T799-V803 HydrophobicContact CG2-CG2 4.47Å; T799-V803 WeakPolarHBondContact O-CG2 3.5Å; T799-V803 PolarHBondContact O-N 3.5Å; T799-I895 HydrophobicContact CG2-CG2 4.25Å |
| 800 | D | 51.6 | Low | 51.8 | Low | 94 Ų | 94 | 65.9 Ų | 65.9 | 50% | 0.503 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -58.7 | -38.1 | 177.4 | -70.2 | 5.1 | 0 | 0 | 0 | 113.1 | R751 P798 V803 V804 | R751-D800 IonicContact NH2-OD2 3.42Å; P798-D800 PolarHBondContact O-N 3.12Å; P798-D800 VanDerWaalsContact O-N 3.1Å; D800-V803 PolarHBondContact O-N 2.69Å; D800-V804 WeakPolarHBondContact O-CB 3.31Å; D800-V804 VanDerWaalsContact O-CG2 3.24Å; D800-V804 WeakPolarHBondContact O-CG2 3.5Å; D800-V804 PolarHBondContact O-N 3.3Å |
| 801 | F | 52.5 | Low | 51.9 | Low | 60 Ų | 60 | 64.1 Ų | 64.1 | 26% | 0.263 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -65.7 | -44.8 | 178.5 | -175.9 | -99.6 | 0 | 0 | 0 | 110.6 | F781 V797 P798 T799 V803 V804 T805 L842 | F781-F801 AromaticContact CD1-CE2 3.88Å; F781-F801 HydrophobicContact CD1-CE2 3.88Å; F781-F801 AromaticContact CD1-CZ 3.72Å; F781-F801 HydrophobicContact CD1-CZ 3.72Å; F781-F801 AromaticContact CE1-CE2 3.9Å; F781-F801 HydrophobicContact CE1-CE2 3.9Å; F781-F801 HydrophobicContact CE1-CZ 4.1Å; V797-F801 HydrophobicContact CG1-CB 4.28Å; V797-F801 HydrophobicContact CG1-CD1 4.03Å; P798-F801 WeakPolarHBondContact O-CB 3.27Å; P798-F801 PolarHBondContact O-N 2.82Å; T799-F801 VanDerWaalsContact C-N 3.32Å; T799-F801 PolarHBondContact O-N 2.9Å; F801-V803 VanDerWaalsContact C-N 3.34Å; F801-V803 PolarHBondContact O-N 3.06Å; F801-V804 PolarHBondContact O-N 3.45Å; F801-T805 PolarHBondContact O-N 3.49Å; F801-T805 PolarHBondContact O-OG1 3.41Å; F801-L842 HydrophobicContact CE1-CD1 4.42Å |
| 802 | V | 53.1 | Low | 51.7 | Low | 7 Ų | 7 | 61.9 Ų | 61.9 | 4% | 0.042 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -62.1 | -41.8 | 176.3 | -177.2 | 0 | 0 | 0 | 0 | 111.1 | V797 T799 T805 G806 L858 V862 F900 | V797-V802 HydrophobicContact CB-CG2 4.47Å; V797-V802 HydrophobicContact CG1-CG2 3.68Å; T799-V802 PolarHBondContact O-N 3.48Å; V802-T805 PolarHBondContact O-N 3.02Å; V802-G806 PolarHBondContact O-N 3.41Å; V802-L858 HydrophobicContact CG2-CD2 4.06Å; V802-V862 HydrophobicContact CG1-CG2 4.19Å; V802-F900 HydrophobicContact CG1-CE2 4.03Å |
| 803 | V | 53.1 | Low | 51.9 | Low | 39 Ų | 39 | 52.4 Ų | 52.4 | 24% | 0.236 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -65.7 | -44.6 | 178 | 172.6 | 0 | 0 | 0 | 0 | 111.6 | T799 D800 F801 G806 R807 | T799-V803 HydrophobicContact CG2-CG2 4.47Å; T799-V803 WeakPolarHBondContact O-CG2 3.5Å; T799-V803 PolarHBondContact O-N 3.5Å; D800-V803 PolarHBondContact O-N 2.69Å; F801-V803 VanDerWaalsContact C-N 3.34Å; F801-V803 PolarHBondContact O-N 3.06Å; V803-G806 PolarHBondContact O-N 3.29Å; V803-R807 WeakPolarHBondContact O-CB 3.25Å; V803-R807 WeakPolarHBondContact O-CG 3.44Å; V803-R807 PolarHBondContact O-N 3.31Å |
| 804 | V | 53.8 | Low | 51.8 | Low | 26 Ų | 26 | 49.7 Ų | 49.7 | 16% | 0.158 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.3 | -42.5 | 177.7 | 169.5 | 0 | 0 | 0 | 0 | 110.7 | V754 F781 D800 F801 R807 L808 | V754-V804 HydrophobicContact CB-CG1 4.36Å; V754-V804 HydrophobicContact CG1-CG1 3.59Å; F781-V804 HydrophobicContact CZ-CG1 4.42Å; D800-V804 WeakPolarHBondContact O-CB 3.31Å; D800-V804 VanDerWaalsContact O-CG2 3.24Å; D800-V804 WeakPolarHBondContact O-CG2 3.5Å; D800-V804 PolarHBondContact O-N 3.3Å; F801-V804 PolarHBondContact O-N 3.45Å; V804-R807 PolarHBondContact O-N 3.38Å; V804-L808 WeakPolarHBondContact O-CB 3.45Å; V804-L808 PolarHBondContact O-N 2.94Å |
| 805 | T | 53.3 | Low | 51.7 | Low | 13 Ų | 13 | 50.5 Ų | 50.5 | 8% | 0.08 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63.4 | -46.7 | 175.4 | -56.5 | 0 | 0 | 0 | 0 | 111.5 | F781 F801 V802 R807 L808 T809 L842 | F781-T805 WeakPolarHBondContact CE1-OG1 3.49Å; F801-T805 PolarHBondContact O-N 3.49Å; F801-T805 PolarHBondContact O-OG1 3.41Å; V802-T805 PolarHBondContact O-N 3.02Å; T805-R807 PolarHBondContact O-N 3.35Å; T805-L808 PolarHBondContact O-N 3.33Å; T805-T809 WeakPolarHBondContact O-CB 3.47Å; T805-T809 PolarHBondContact O-N 2.9Å; T805-T809 PolarHBondContact O-OG1 3Å; T805-L842 HydrophobicContact CG2-CD1 4.02Å; T805-L842 HydrophobicContact CG2-CD2 4.45Å |
| 806 | G | 53.2 | Low | 51.6 | Low | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -58.8 | -43.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113 | V802 V803 G810 G899 V903 | V802-G806 PolarHBondContact O-N 3.41Å; V803-G806 PolarHBondContact O-N 3.29Å; G806-G810 PolarHBondContact O-N 2.94Å; G806-G899 CarbonylContact C-O 3.55Å; G806-G899 VanDerWaalsContact C-O 3.26Å; G806-G899 WeakPolarHBondContact CA-O 3.5Å; G806-V903 WeakPolarHBondContact O-CG2 3.45Å |
| 807 | R | 53.4 | Low | 51 | Low | 118 Ų | 118 | 38.5 Ų | 38.5 | 45% | 0.445 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -63.8 | -46.8 | 174.5 | -74.4 | -178.5 | 177.1 | -160.2 | -3.7 | 112.1 | V803 V804 T805 G810 S811 G899 P902 | V803-R807 WeakPolarHBondContact O-CB 3.25Å; V803-R807 WeakPolarHBondContact O-CG 3.44Å; V803-R807 PolarHBondContact O-N 3.31Å; V804-R807 PolarHBondContact O-N 3.38Å; T805-R807 PolarHBondContact O-N 3.35Å; R807-G810 PolarHBondContact O-N 2.95Å; R807-S811 WeakPolarHBondContact O-CB 3.49Å; R807-S811 PolarHBondContact O-N 2.85Å; R807-S811 PolarHBondContact O-OG 3.03Å; R807-S811 VanDerWaalsContact O-OG 3.11Å; R807-G899 PolarHBondContact N-O 3.42Å; R807-P902 HydrophobicContact CG-CG 4.48Å |
| 808 | L | 54.5 | Low | 50.4 | Low | 13 Ų | 13 | 43.1 Ų | 43.1 | 7% | 0.068 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -61.3 | -48.8 | 178.9 | -177.4 | 70.3 | 0 | 0 | 0 | 111.6 | V754 L758 F781 V804 T805 G810 S811 L812 | V754-L808 HydrophobicContact CG1-CD1 4.31Å; V754-L808 HydrophobicContact CG1-CD2 4.39Å; L758-L808 HydrophobicContact CD2-CD1 3.72Å; L758-L808 HydrophobicContact CG-CD1 4.29Å; F781-L808 HydrophobicContact CD2-CD2 4.13Å; F781-L808 HydrophobicContact CE2-CD2 3.28Å; F781-L808 HydrophobicContact CZ-CD2 3.75Å; V804-L808 WeakPolarHBondContact O-CB 3.45Å; V804-L808 PolarHBondContact O-N 2.94Å; T805-L808 PolarHBondContact O-N 3.33Å; L808-G810 VanDerWaalsContact C-N 3.31Å; L808-G810 PolarHBondContact O-N 3.26Å; L808-S811 PolarHBondContact O-N 3.45Å; L808-L812 HydrophobicContact CD1-CD1 3.99Å; L808-L812 HydrophobicContact CD1-CG 4.24Å; L808-L812 HydrophobicContact CD2-CD1 4.45Å; L808-L812 HydrophobicContact CG-CD1 3.84Å; L808-L812 HydrophobicContact CG-CG 4.38Å; L808-L812 WeakPolarHBondContact O-CB 3.32Å; L808-L812 VanDerWaalsContact O-CG 3.26Å; L808-L812 WeakPolarHBondContact O-CG 3.21Å; L808-L812 PolarHBondContact O-N 3.31Å |
| 809 | T | 52.9 | Low | 49.6 | Very low | 9 Ų | 9 | 47.8 Ų | 47.8 | 6% | 0.055 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -59.4 | -45 | 176.6 | -56 | 0 | 0 | 0 | 0 | 110.7 | T805 S811 L812 L813 V834 F839 V903 | T805-T809 WeakPolarHBondContact O-CB 3.47Å; T805-T809 PolarHBondContact O-N 2.9Å; T805-T809 PolarHBondContact O-OG1 3Å; T809-S811 PolarHBondContact O-N 3.1Å; T809-L812 PolarHBondContact O-N 3.22Å; T809-L813 HydrophobicContact CG2-CD1 3.96Å; T809-L813 HydrophobicContact CG2-CG 4.28Å; T809-L813 WeakPolarHBondContact O-CB 3.37Å; T809-L813 WeakPolarHBondContact O-CD1 3.49Å; T809-L813 WeakPolarHBondContact O-CG 3.49Å; T809-L813 PolarHBondContact O-N 3.49Å; T809-V834 HydrophobicContact CG2-CG1 4.25Å; T809-F839 HydrophobicContact CG2-CE2 3.77Å; T809-F839 HydrophobicContact CG2-CZ 3.85Å; T809-V903 HydrophobicContact CG2-CG2 4.33Å |
| 810 | G | 53.6 | Low | 48.9 | Very low | 4 Ų | 4 | 49.6 Ų | 49.6 | 4% | 0.041 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -61.4 | -38.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114 | G806 R807 L808 P814 V903 | G806-G810 PolarHBondContact O-N 2.94Å; R807-G810 PolarHBondContact O-N 2.95Å; L808-G810 VanDerWaalsContact C-N 3.31Å; L808-G810 PolarHBondContact O-N 3.26Å; G810-P814 WeakPolarHBondContact O-CD 3.13Å; G810-V903 VanDerWaalsContact CA-CG2 3.45Å |
| 811 | S | 54.2 | Low | 47.9 | Very low | 59 Ų | 59 | 51.5 Ų | 51.5 | 41% | 0.413 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -73.5 | -32.5 | 176 | -62.7 | 0 | 0 | 0 | 0 | 113 | R807 L808 T809 | R807-S811 WeakPolarHBondContact O-CB 3.49Å; R807-S811 PolarHBondContact O-N 2.85Å; R807-S811 PolarHBondContact O-OG 3.03Å; R807-S811 VanDerWaalsContact O-OG 3.11Å; L808-S811 PolarHBondContact O-N 3.45Å; T809-S811 PolarHBondContact O-N 3.1Å |
| 812 | L | 52 | Low | 47.4 | Very low | 34 Ų | 34 | 53.1 Ų | 53.1 | 18% | 0.178 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -81 | -26.8 | 179.9 | -68.9 | 176.9 | 0 | 0 | 0 | 113.3 | L808 T809 L815 G816 | L808-L812 HydrophobicContact CD1-CD1 3.99Å; L808-L812 HydrophobicContact CD1-CG 4.24Å; L808-L812 HydrophobicContact CD2-CD1 4.45Å; L808-L812 HydrophobicContact CG-CD1 3.84Å; L808-L812 HydrophobicContact CG-CG 4.38Å; L808-L812 WeakPolarHBondContact O-CB 3.32Å; L808-L812 VanDerWaalsContact O-CG 3.26Å; L808-L812 WeakPolarHBondContact O-CG 3.21Å; L808-L812 PolarHBondContact O-N 3.31Å; T809-L812 PolarHBondContact O-N 3.22Å; L812-L815 HydrophobicContact CD2-CD1 4.28Å; L812-L815 WeakPolarHBondContact O-CB 3.32Å; L812-L815 PolarHBondContact O-N 3.35Å; L812-G816 PolarHBondContact O-N 2.89Å |
| 813 | L | 50.6 | Low | 46.5 | Very low | 7 Ų | 7 | 59.2 Ų | 59.2 | 4% | 0.037 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -59.6 | -48.5 | -178.4 | -84.3 | 165.5 | 0 | 0 | 0 | 114.7 | T809 L815 G816 F817 L835 V903 | T809-L813 HydrophobicContact CG2-CD1 3.96Å; T809-L813 HydrophobicContact CG2-CG 4.28Å; T809-L813 WeakPolarHBondContact O-CB 3.37Å; T809-L813 WeakPolarHBondContact O-CD1 3.49Å; T809-L813 WeakPolarHBondContact O-CG 3.49Å; T809-L813 PolarHBondContact O-N 3.49Å; L813-L815 PolarHBondContact O-N 3.15Å; L813-L815 VanDerWaalsContact O-N 3.17Å; L813-G816 PolarHBondContact O-N 3.46Å; L813-G816 VanDerWaalsContact O-N 3.12Å; L813-F817 HydrophobicContact CD2-CD2 4.49Å; L813-F817 HydrophobicContact CD2-CE2 3.93Å; L813-F817 WeakPolarHBondContact O-CD2 3.39Å; L813-F817 PolarHBondContact O-N 3.5Å; L813-L835 HydrophobicContact CD2-CD1 4.18Å; L813-L835 HydrophobicContact CD2-CD2 3.73Å; L813-L835 HydrophobicContact CD2-CG 4.14Å; L813-V903 HydrophobicContact CD1-CB 4.25Å; L813-V903 HydrophobicContact CD1-CG1 3.58Å; L813-V903 HydrophobicContact CD1-CG2 4.08Å |
| 814 | P | 48.1 | Very low | 45.8 | Very low | 40 Ų | 40 | 63.5 Ų | 63.5 | 26% | 0.26 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -54.5 | -35.5 | 174.3 | -13.1 | 15.1 | 0 | 0 | 0 | 113 | G810 G816 F817 V818 H906 | G810-P814 WeakPolarHBondContact O-CD 3.13Å; P814-G816 VanDerWaalsContact C-N 3.3Å; P814-G816 PolarHBondContact O-N 3.3Å; P814-F817 PolarHBondContact O-N 2.54Å; P814-V818 WeakPolarHBondContact O-CG2 3.15Å; P814-V818 PolarHBondContact O-N 3.21Å; P814-H906 WeakPolarHBondContact CA-CE1 3.48Å; P814-H906 WeakPolarHBondContact CG-ND1 3.26Å |
| 815 | L | 47 | Very low | 45.3 | Very low | 55 Ų | 55 | 69.1 Ų | 69.1 | 29% | 0.288 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -72.6 | -23.7 | -175.7 | -56.8 | 171.1 | 0 | 0 | 0 | 112.5 | V762 E763 L812 L813 | V762-L815 HydrophobicContact CB-CD1 3.86Å; V762-L815 HydrophobicContact CG1-CD1 3.81Å; V762-L815 HydrophobicContact CG2-CD1 4.43Å; E763-L815 HydrophobicContact CG-CD2 4.04Å; L812-L815 HydrophobicContact CD2-CD1 4.28Å; L812-L815 WeakPolarHBondContact O-CB 3.32Å; L812-L815 PolarHBondContact O-N 3.35Å; L813-L815 PolarHBondContact O-N 3.15Å; L813-L815 VanDerWaalsContact O-N 3.17Å |
| 816 | G | 43.6 | Very low | 44.8 | Very low | 26 Ų | 26 | 73 Ų | 73 | 27% | 0.268 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -82.1 | -25.9 | 175 | 0 | 0 | 0 | 0 | 0 | 114.7 | L812 L813 P814 | L812-G816 PolarHBondContact O-N 2.89Å; L813-G816 PolarHBondContact O-N 3.46Å; L813-G816 VanDerWaalsContact O-N 3.12Å; P814-G816 VanDerWaalsContact C-N 3.3Å; P814-G816 PolarHBondContact O-N 3.3Å |
| 817 | F | 35.5 | Very low | 44.3 | Very low | 46 Ų | 46 | 74 Ų | 74 | 20% | 0.202 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -101.6 | -20.4 | -169.3 | -79.6 | -69.9 | 0 | 0 | 0 | 115.6 | L813 P814 E819 R821 | L813-F817 HydrophobicContact CD2-CD2 4.49Å; L813-F817 HydrophobicContact CD2-CE2 3.93Å; L813-F817 WeakPolarHBondContact O-CD2 3.39Å; L813-F817 PolarHBondContact O-N 3.5Å; P814-F817 PolarHBondContact O-N 2.54Å; F817-E819 PolarHBondContact O-N 3.5Å; F817-R821 VanDerWaalsContact CE1-NH2 3.27Å |
| 818 | V | 39 | Very low | 43.6 | Very low | 116 Ų | 116 | 74.2 Ų | 74.2 | 70% | 0.703 | 40% | 0.398 | S | S | * | . | S | Bend | trans | -67.5 | -27.4 | -162.9 | 166.2 | 0 | 0 | 0 | 0 | 114.8 | P814 | P814-V818 WeakPolarHBondContact O-CG2 3.15Å; P814-V818 PolarHBondContact O-N 3.21Å |
| 819 | E | 36.2 | Very low | 43.1 | Very low | 169 Ų | 169 | 77.2 Ų | 77.2 | 79% | 0.79 | 41% | 0.411 | S | S | * | . | S | Bend | trans | -114.1 | -23.3 | -172.3 | -84.3 | -167.6 | 152.2 | 0 | 0 | 119 | F817 | F817-E819 PolarHBondContact O-N 3.5Š|
| 820 | K | 35 | Very low | 42.8 | Very low | 107 Ų | 107 | 77.7 Ų | 77.7 | 47% | 0.465 | 41% | 0.413 | S | S | . | . | trans | -130.4 | 28.8 | -161.2 | -79 | -168.1 | 177.7 | -175.1 | 0 | 118.2 | T822 E826 | K820-T822 PolarHBondContact O-N 2.99Å; K820-T822 VanDerWaalsContact O-N 3.15Å; K820-E826 IonicContact NZ-OE2 3.91Å; K820-E826 PolarHBondContact NZ-OE2 3.41Å | ||
| 821 | R | 32.3 | Very low | 42.5 | Very low | 133 Ų | 133 | 78 Ų | 78 | 50% | 0.502 | 42% | 0.415 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | 13.6 | 163.1 | -84.3 | -168.4 | 176.6 | 177.5 | 0 | 114.1 | F817 F920 | F817-R821 VanDerWaalsContact CE1-NH2 3.27Å; R821-F920 VanDerWaalsContact NH1-CE2 3.33Å |
| 822 | T | 42.2 | Very low | 42.1 | Very low | 95 Ų | 95 | 79 Ų | 79 | 58% | 0.583 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.6 | -11.9 | 171 | 47.9 | 0 | 0 | 0 | 0 | 115 | K820 | K820-T822 PolarHBondContact O-N 2.99Å; K820-T822 VanDerWaalsContact O-N 3.15Å |
| 823 | D | 33.2 | Very low | 41.9 | Very low | 134 Ų | 134 | 78 Ų | 78 | 72% | 0.717 | 41% | 0.407 | S | S | * | . | S | Bend | trans | -142.9 | 125.2 | 172.7 | -90.4 | -45.4 | 0 | 0 | 0 | 111.5 | N825 | D823-N825 PolarHBondContact O-N 3.03Š|
| 824 | T | 38.6 | Very low | 42 | Very low | 130 Ų | 130 | 78.5 Ų | 78.5 | 80% | 0.798 | 41% | 0.411 | S | S | * | . | S | Bend | trans | -70.4 | 110.4 | -173.5 | 46.4 | 0 | 0 | 0 | 0 | 111.4 | ||
| 825 | N | 43.2 | Very low | 42.1 | Very low | 143 Ų | 143 | 77 Ų | 77 | 77% | 0.765 | 40% | 0.401 | S | S | * | . | S | Bend | trans | 165.6 | -22.5 | 134.4 | -81.8 | -15.2 | 0 | 0 | 0 | 113.9 | D823 | D823-N825 PolarHBondContact O-N 3.03Š|
| 826 | E | 43.7 | Very low | 42.2 | Very low | 94 Ų | 94 | 80 Ų | 80 | 44% | 0.439 | 41% | 0.408 | S | S | . | . | S | Bend | trans | -99.4 | -40 | -166.5 | -63.3 | -172.4 | 138.1 | 0 | 0 | 116.2 | K820 H828 F829 | K820-E826 IonicContact NZ-OE2 3.91Å; K820-E826 PolarHBondContact NZ-OE2 3.41Å; E826-H828 VanDerWaalsContact C-N 3.28Å; E826-H828 PolarHBondContact O-N 3.36Å; E826-F829 PolarHBondContact O-N 2.98Å |
| 827 | G | 41.8 | Very low | 42.6 | Very low | 23 Ų | 23 | 80.3 Ų | 80.3 | 24% | 0.237 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -71.1 | -25.1 | 180 | 0 | 0 | 0 | 0 | 0 | 113.2 | F829 S831 | G827-F829 VanDerWaalsContact C-N 3.29Å; G827-F829 PolarHBondContact O-N 3.29Å; G827-S831 PolarHBondContact O-N 3.17Å; G827-S831 PolarHBondContact O-OG 3.37Å |
| 828 | H | 39.3 | Very low | 43.5 | Very low | 121 Ų | 121 | 79.1 Ų | 79.1 | 56% | 0.56 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -63.7 | -33.2 | 173.4 | -107.9 | -80.6 | 0 | 0 | 0 | 111.9 | E826 S831 E832 | E826-H828 VanDerWaalsContact C-N 3.28Å; E826-H828 PolarHBondContact O-N 3.36Å; H828-S831 WeakPolarHBondContact CA-OG 3.39Å; H828-S831 PolarHBondContact O-OG 2.84Å; H828-E832 WeakPolarHBondContact O-CA 3.19Å; H828-E832 WeakPolarHBondContact O-CB 3.41Å; H828-E832 PolarHBondContact O-N 3.49Å |
| 829 | F | 42.7 | Very low | 44.1 | Very low | 76 Ų | 76 | 73.8 Ų | 73.8 | 33% | 0.333 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -71.2 | -47.9 | -175.2 | -175.3 | -102.1 | 0 | 0 | 0 | 113.6 | Y726 E826 G827 E832 L833 | Y726-F829 AromaticContact CD1-CE1 3.44Å; Y726-F829 HydrophobicContact CD1-CE1 3.44Å; Y726-F829 VanDerWaalsContact CD1-CE1 3.44Å; Y726-F829 AromaticContact CD1-CZ 3.32Å; Y726-F829 HydrophobicContact CD1-CZ 3.32Å; Y726-F829 AromaticContact CE1-CE1 3.86Å; Y726-F829 HydrophobicContact CE1-CE1 3.86Å; Y726-F829 AromaticContact CE1-CZ 3.48Å; Y726-F829 HydrophobicContact CE1-CZ 3.48Å; Y726-F829 VanDerWaalsContact CE1-CZ 3.48Å; Y726-F829 HydrophobicContact CG-CE1 4.03Å; Y726-F829 HydrophobicContact CG-CZ 4.34Å; E826-F829 PolarHBondContact O-N 2.98Å; G827-F829 VanDerWaalsContact C-N 3.29Å; G827-F829 PolarHBondContact O-N 3.29Å; F829-E832 CarbonylContact O-C 3.54Å; F829-E832 PolarHBondContact O-N 3.13Å; F829-L833 HydrophobicContact CE1-CD1 4.25Å; F829-L833 HydrophobicContact CZ-CD1 4.07Å; F829-L833 VanDerWaalsContact O-CB 3.31Å; F829-L833 WeakPolarHBondContact O-CB 3.41Å; F829-L833 PolarHBondContact O-N 3.44Å |
| 830 | L | 47.4 | Very low | 44.8 | Very low | 19 Ų | 19 | 69.1 Ų | 69.1 | 10% | 0.099 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -65.3 | -41 | 178.8 | -91.9 | 166.5 | 0 | 0 | 0 | 112.1 | L767 R771 V774 L833 V834 | L767-L830 HydrophobicContact CD1-CD1 4.29Å; L767-L830 HydrophobicContact CG-CD1 4.28Å; R771-L830 HydrophobicContact CB-CD2 4.43Å; R771-L830 HydrophobicContact CG-CD1 3.75Å; R771-L830 HydrophobicContact CG-CD2 3.82Å; R771-L830 HydrophobicContact CG-CG 3.92Å; V774-L830 HydrophobicContact CB-CD2 4.42Å; V774-L830 HydrophobicContact CG1-CD2 4.32Å; L830-L833 WeakPolarHBondContact O-CB 3.19Å; L830-L833 PolarHBondContact O-N 2.92Å; L830-V834 WeakPolarHBondContact O-CG2 3.3Å; L830-V834 PolarHBondContact O-N 3.22Å |
| 831 | S | 46.9 | Very low | 45.6 | Very low | 10 Ų | 10 | 65.1 Ų | 65.1 | 7% | 0.07 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -65.5 | -51.3 | 175.4 | 55.2 | 0 | 0 | 0 | 0 | 109.7 | G827 H828 L833 V834 L835 | G827-S831 PolarHBondContact O-N 3.17Å; G827-S831 PolarHBondContact O-OG 3.37Å; H828-S831 WeakPolarHBondContact CA-OG 3.39Å; H828-S831 PolarHBondContact O-OG 2.84Å; S831-L833 PolarHBondContact O-N 3.48Å; S831-L833 VanDerWaalsContact O-N 3.14Å; S831-V834 PolarHBondContact O-N 3.44Å; S831-L835 WeakPolarHBondContact O-CA 3.48Å; S831-L835 WeakPolarHBondContact O-CB 3.42Å; S831-L835 VanDerWaalsContact O-CD1 3.23Å; S831-L835 WeakPolarHBondContact O-CD1 3.47Å; S831-L835 WeakPolarHBondContact O-CG 3.35Å; S831-L835 PolarHBondContact O-N 3.25Å |
| 832 | E | 45.4 | Very low | 46.5 | Very low | 80 Ų | 80 | 59.2 Ų | 59.2 | 37% | 0.374 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -56.9 | -29.3 | 173 | -167.9 | 179.4 | -174.3 | 0 | 0 | 111.7 | H828 F829 R836 | H828-E832 WeakPolarHBondContact O-CA 3.19Å; H828-E832 WeakPolarHBondContact O-CB 3.41Å; H828-E832 PolarHBondContact O-N 3.49Å; F829-E832 CarbonylContact O-C 3.54Å; F829-E832 PolarHBondContact O-N 3.13Å; E832-R836 HydrophobicContact CG-CB 3.97Å; E832-R836 WeakPolarHBondContact O-CA 3.33Å; E832-R836 WeakPolarHBondContact O-CB 3.27Å; E832-R836 PolarHBondContact O-N 2.88Å; E832-R836 IonicContact OE1-CZ 3.7Å; E832-R836 IonicContact OE1-NH1 2.71Å; E832-R836 PolarHBondContact OE1-NH1 2.91Å |
| 833 | L | 49.3 | Very low | 46.8 | Very low | 13 Ų | 13 | 56.7 Ų | 56.7 | 7% | 0.068 | 29% | 0.293 | C | S | . | . | I | π-helix | trans | -71.2 | -55.6 | 175.9 | -150 | 85.3 | 0 | 0 | 0 | 113.9 | Y726 F829 L830 S831 L835 E837 G838 | Y726-L833 HydrophobicContact CD1-CD1 4.38Å; Y726-L833 HydrophobicContact CD2-CD2 3.95Å; Y726-L833 HydrophobicContact CE1-CD1 3.35Å; Y726-L833 HydrophobicContact CE1-CD2 4.22Å; Y726-L833 HydrophobicContact CE1-CG 4.31Å; Y726-L833 HydrophobicContact CE2-CD1 3.94Å; Y726-L833 HydrophobicContact CE2-CD2 3.1Å; Y726-L833 HydrophobicContact CE2-CG 4Å; Y726-L833 WeakPolarHBondContact OH-CD1 3.27Å; Y726-L833 WeakPolarHBondContact OH-CD2 3.26Å; Y726-L833 WeakPolarHBondContact OH-CG 3.41Å; F829-L833 HydrophobicContact CE1-CD1 4.25Å; F829-L833 HydrophobicContact CZ-CD1 4.07Å; F829-L833 VanDerWaalsContact O-CB 3.31Å; F829-L833 WeakPolarHBondContact O-CB 3.41Å; F829-L833 PolarHBondContact O-N 3.44Å; L830-L833 WeakPolarHBondContact O-CB 3.19Å; L830-L833 PolarHBondContact O-N 2.92Å; S831-L833 PolarHBondContact O-N 3.48Å; S831-L833 VanDerWaalsContact O-N 3.14Å; L833-L835 PolarHBondContact O-N 3.06Å; L833-E837 WeakPolarHBondContact O-CB 3.49Å; L833-E837 PolarHBondContact O-N 3.3Å; L833-G838 PolarHBondContact O-N 3.12Å |
| 834 | V | 52.6 | Low | 47.4 | Very low | 18 Ų | 18 | 52 Ų | 52 | 11% | 0.109 | 27% | 0.27 | C | S | . | . | I | π-helix | trans | -63.5 | -38.7 | 179.8 | 174.8 | 0 | 0 | 0 | 0 | 109.3 | V774 T809 L830 S831 G838 | V774-V834 HydrophobicContact CG1-CG2 3.45Å; V774-V834 VanDerWaalsContact CG1-CG2 3.45Å; T809-V834 HydrophobicContact CG2-CG1 4.25Å; L830-V834 WeakPolarHBondContact O-CG2 3.3Å; L830-V834 PolarHBondContact O-N 3.22Å; S831-V834 PolarHBondContact O-N 3.44Å; V834-G838 WeakPolarHBondContact O-CA 3.44Å; V834-G838 PolarHBondContact O-N 3.17Å |
| 835 | L | 50.5 | Low | 48 | Very low | 8 Ų | 8 | 46.3 Ų | 46.3 | 4% | 0.042 | 24% | 0.236 | C | C | . | . | I | π-helix | trans | -76.8 | -63.3 | -179.5 | -66.1 | 160.6 | 0 | 0 | 0 | 110.8 | L813 S831 L833 F839 F869 | L813-L835 HydrophobicContact CD2-CD1 4.18Å; L813-L835 HydrophobicContact CD2-CD2 3.73Å; L813-L835 HydrophobicContact CD2-CG 4.14Å; S831-L835 WeakPolarHBondContact O-CA 3.48Å; S831-L835 WeakPolarHBondContact O-CB 3.42Å; S831-L835 VanDerWaalsContact O-CD1 3.23Å; S831-L835 WeakPolarHBondContact O-CD1 3.47Å; S831-L835 WeakPolarHBondContact O-CG 3.35Å; S831-L835 PolarHBondContact O-N 3.25Å; L833-L835 PolarHBondContact O-N 3.06Å; L835-F839 HydrophobicContact CB-CD2 4.41Å; L835-F839 HydrophobicContact CD2-CD2 3.97Å; L835-F839 HydrophobicContact CD2-CE2 3.6Å; L835-F839 WeakPolarHBondContact O-CA 3.43Å; L835-F839 WeakPolarHBondContact O-CB 3.13Å; L835-F839 VanDerWaalsContact O-CD2 3.26Å; L835-F839 WeakPolarHBondContact O-CD2 3.4Å; L835-F839 PolarHBondContact O-N 3.15Å; L835-F869 HydrophobicContact CB-CE1 3.85Å; L835-F869 HydrophobicContact CB-CZ 4.43Å; L835-F869 HydrophobicContact CD1-CE1 3.44Å; L835-F869 VanDerWaalsContact CD1-CE1 3.44Å; L835-F869 HydrophobicContact CD1-CE2 4.25Å; L835-F869 HydrophobicContact CD1-CZ 3.19Å; L835-F869 HydrophobicContact CD2-CD1 4.11Å; L835-F869 HydrophobicContact CD2-CE1 3.57Å; L835-F869 HydrophobicContact CD2-CE2 4.01Å; L835-F869 HydrophobicContact CD2-CZ 3.53Å; L835-F869 HydrophobicContact CG-CE1 3.79Å; L835-F869 HydrophobicContact CG-CZ 3.86Å |
| 836 | R | 48.7 | Very low | 48.3 | Very low | 119 Ų | 119 | 39.6 Ų | 39.6 | 45% | 0.449 | 20% | 0.2 | S | C | . | . | I | π-helix | trans | -66.8 | -54 | -173.7 | -152.3 | 175.7 | -173.2 | 179.3 | 0.9 | 112 | E832 Q840 F870 | E832-R836 HydrophobicContact CG-CB 3.97Å; E832-R836 WeakPolarHBondContact O-CA 3.33Å; E832-R836 WeakPolarHBondContact O-CB 3.27Å; E832-R836 PolarHBondContact O-N 2.88Å; E832-R836 IonicContact OE1-CZ 3.7Å; E832-R836 IonicContact OE1-NH1 2.71Å; E832-R836 PolarHBondContact OE1-NH1 2.91Å; R836-Q840 WeakPolarHBondContact O-CA 3.42Å; R836-Q840 WeakPolarHBondContact O-CB 3.45Å; R836-Q840 WeakPolarHBondContact O-CG 3.5Å; R836-Q840 PolarHBondContact O-N 3.29Å; R836-F870 HydrophobicContact CB-CE1 4.11Å; R836-F870 HydrophobicContact CB-CZ 4.5Å; R836-F870 HydrophobicContact CG-CE1 3.91Å; R836-F870 HydrophobicContact CG-CZ 4.35Å |
| 837 | E | 50.6 | Low | 48.5 | Very low | 32 Ų | 32 | 37.4 Ų | 37.4 | 15% | 0.15 | 19% | 0.191 | C | C | . | . | I | π-helix | trans | -77.7 | -41.2 | -179.2 | -74 | -77.5 | 167.2 | 0 | 0 | 112 | Y730 V778 L833 N841 | Y730-E837 HydrophobicContact CE2-CG 4.13Å; Y730-E837 VanDerWaalsContact CE2-OE1 3.25Å; Y730-E837 WeakPolarHBondContact CE2-OE1 3.36Å; Y730-E837 PolarHBondContact OH-OE1 3.41Å; V778-E837 HydrophobicContact CG1-CB 4.32Å; L833-E837 WeakPolarHBondContact O-CB 3.49Å; L833-E837 PolarHBondContact O-N 3.3Å; E837-N841 WeakPolarHBondContact O-CB 3.46Å; E837-N841 PolarHBondContact O-N 3.21Å; E837-N841 PolarHBondContact O-ND2 3.07Å; E837-N841 PolarHBondContact OE2-ND2 2.88Å; E837-N841 VanDerWaalsContact OE2-ND2 3.07Å |
| 838 | G | 55.8 | Low | 48.6 | Very low | 22 Ų | 22 | 46.7 Ų | 46.7 | 23% | 0.227 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -60.9 | -49.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112 | L833 V834 L842 | L833-G838 PolarHBondContact O-N 3.12Å; V834-G838 WeakPolarHBondContact O-CA 3.44Å; V834-G838 PolarHBondContact O-N 3.17Å; G838-L842 WeakPolarHBondContact O-CB 3.24Å; G838-L842 PolarHBondContact O-N 3.35Å; G838-L842 VanDerWaalsContact O-N 3.1Å |
| 839 | F | 51.7 | Low | 49.1 | Very low | 3 Ų | 3 | 44.9 Ų | 44.9 | 1% | 0.013 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -73.1 | -40 | 175.9 | -73.5 | -72.6 | 0 | 0 | 0 | 113.3 | T809 L835 N841 L842 E843 F865 C866 F870 F900 | T809-F839 HydrophobicContact CG2-CE2 3.77Å; T809-F839 HydrophobicContact CG2-CZ 3.85Å; L835-F839 HydrophobicContact CB-CD2 4.41Å; L835-F839 HydrophobicContact CD2-CD2 3.97Å; L835-F839 HydrophobicContact CD2-CE2 3.6Å; L835-F839 WeakPolarHBondContact O-CA 3.43Å; L835-F839 WeakPolarHBondContact O-CB 3.13Å; L835-F839 VanDerWaalsContact O-CD2 3.26Å; L835-F839 WeakPolarHBondContact O-CD2 3.4Å; L835-F839 PolarHBondContact O-N 3.15Å; F839-N841 VanDerWaalsContact C-N 3.32Å; F839-N841 PolarHBondContact O-N 2.89Å; F839-L842 HydrophobicContact CD1-CD2 4.22Å; F839-L842 CarbonylContact O-C 3.37Å; F839-L842 WeakPolarHBondContact O-CB 3.49Å; F839-L842 PolarHBondContact O-N 2.87Å; F839-E843 WeakPolarHBondContact O-CB 2.84Å; F839-E843 PolarHBondContact O-N 3.2Å; F839-F865 HydrophobicContact CE1-CD1 4.15Å; F839-F865 HydrophobicContact CE1-CE1 4.46Å; F839-F865 HydrophobicContact CZ-CD1 4.13Å; F839-F865 HydrophobicContact CZ-CE1 4.01Å; F839-C866 WeakPolarHBondContact CD1-SG 3.1Å; F839-F870 HydrophobicContact CB-CE2 4.27Å; F839-F870 HydrophobicContact CB-CZ 4.18Å; F839-F900 AromaticContact CE1-CE1 3.66Å; F839-F900 HydrophobicContact CE1-CE1 3.66Å; F839-F900 HydrophobicContact CE1-CZ 4.31Å; F839-F900 HydrophobicContact CZ-CE1 4.09Å |
| 840 | Q | 50.5 | Low | 49.1 | Very low | 71 Ų | 71 | 43.2 Ų | 43.2 | 33% | 0.332 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -65.6 | -34.8 | 175.8 | -77.9 | 179.6 | -25.1 | 0 | 0 | 112.3 | R836 L842 E843 C844 | R836-Q840 WeakPolarHBondContact O-CA 3.42Å; R836-Q840 WeakPolarHBondContact O-CB 3.45Å; R836-Q840 WeakPolarHBondContact O-CG 3.5Å; R836-Q840 PolarHBondContact O-N 3.29Å; Q840-L842 VanDerWaalsContact C-N 3.34Å; Q840-E843 PolarHBondContact O-N 2.97Å; Q840-C844 WeakPolarHBondContact O-CB 3.39Å; Q840-C844 PolarHBondContact O-N 3.48Å; Q840-C844 PolarHBondContact O-SG 3.41Å |
| 841 | N | 50.8 | Low | 49 | Very low | 23 Ų | 23 | 46.7 Ų | 46.7 | 12% | 0.123 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -69.8 | -35.4 | 175.3 | -75 | -57.3 | 0 | 0 | 0 | 111 | E837 F839 A845 | E837-N841 WeakPolarHBondContact O-CB 3.46Å; E837-N841 PolarHBondContact O-N 3.21Å; E837-N841 PolarHBondContact O-ND2 3.07Å; E837-N841 PolarHBondContact OE2-ND2 2.88Å; E837-N841 VanDerWaalsContact OE2-ND2 3.07Å; F839-N841 VanDerWaalsContact C-N 3.32Å; F839-N841 PolarHBondContact O-N 2.89Å; N841-A845 VanDerWaalsContact O-CB 3.25Å; N841-A845 WeakPolarHBondContact O-CB 3.45Å; N841-A845 PolarHBondContact O-N 3.32Å |
| 842 | L | 51.3 | Low | 49.2 | Very low | 9 Ų | 9 | 52.8 Ų | 52.8 | 5% | 0.047 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -64.6 | -50.8 | 170.8 | -165.2 | 77.6 | 0 | 0 | 0 | 110.7 | F801 T805 G838 F839 Q840 C844 A845 L846 V862 F900 | F801-L842 HydrophobicContact CE1-CD1 4.42Å; T805-L842 HydrophobicContact CG2-CD1 4.02Å; T805-L842 HydrophobicContact CG2-CD2 4.45Å; G838-L842 WeakPolarHBondContact O-CB 3.24Å; G838-L842 PolarHBondContact O-N 3.35Å; G838-L842 VanDerWaalsContact O-N 3.1Å; F839-L842 HydrophobicContact CD1-CD2 4.22Å; F839-L842 CarbonylContact O-C 3.37Å; F839-L842 WeakPolarHBondContact O-CB 3.49Å; F839-L842 PolarHBondContact O-N 2.87Å; Q840-L842 VanDerWaalsContact C-N 3.34Å; L842-C844 PolarHBondContact O-N 2.87Å; L842-A845 WeakPolarHBondContact O-CB 3.05Å; L842-A845 PolarHBondContact O-N 2.73Å; L842-A845 VanDerWaalsContact O-N 3.1Å; L842-L846 HydrophobicContact CD2-CD1 4.43Å; L842-L846 HydrophobicContact CG-CD1 3.94Å; L842-L846 WeakPolarHBondContact O-CB 3.3Å; L842-L846 WeakPolarHBondContact O-CG 3.46Å; L842-L846 PolarHBondContact O-N 2.82Å; L842-V862 HydrophobicContact CD2-CG1 3.38Å; L842-V862 HydrophobicContact CG-CG1 4.12Å; L842-F900 HydrophobicContact CD2-CZ 4.35Å |
| 843 | E | 48.4 | Very low | 49.4 | Very low | 42 Ų | 42 | 53.3 Ų | 53.3 | 20% | 0.196 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -56.3 | -50.9 | 176.5 | -168.4 | -151.9 | 147.6 | 0 | 0 | 110.5 | F839 Q840 A845 L846 L847 | F839-E843 WeakPolarHBondContact O-CB 2.84Å; F839-E843 PolarHBondContact O-N 3.2Å; Q840-E843 PolarHBondContact O-N 2.97Å; E843-A845 VanDerWaalsContact C-N 3.29Å; E843-A845 PolarHBondContact O-N 3.39Å; E843-L846 CarbonylContact O-C 3.42Å; E843-L846 PolarHBondContact O-N 2.79Å; E843-L847 HydrophobicContact CG-CD1 3.38Å; E843-L847 HydrophobicContact CG-CG 4.07Å; E843-L847 WeakPolarHBondContact O-CB 3.34Å; E843-L847 WeakPolarHBondContact O-CG 3.32Å; E843-L847 PolarHBondContact O-N 3.24Å; E843-L847 WeakPolarHBondContact OE1-CD1 3.42Å |
| 844 | C | 46.7 | Very low | 49.3 | Very low | 35 Ų | 35 | 58.7 Ų | 58.7 | 24% | 0.236 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -63.9 | -31.8 | 176.5 | -73.5 | 0 | 0 | 0 | 0 | 112.7 | R789 Q840 L842 L846 | R789-C844 PolarHBondContact NH2-O 3.16Å; Q840-C844 WeakPolarHBondContact O-CB 3.39Å; Q840-C844 PolarHBondContact O-N 3.48Å; Q840-C844 PolarHBondContact O-SG 3.41Å; L842-C844 PolarHBondContact O-N 2.87Å; C844-L846 VanDerWaalsContact C-N 3.32Å |
| 845 | A | 50.8 | Low | 49.2 | Very low | 11 Ų | 11 | 58.7 Ų | 58.7 | 9% | 0.091 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -70 | -31.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | S785 N841 L842 E843 | S785-A845 VanDerWaalsContact OG-CB 3.22Å; S785-A845 WeakPolarHBondContact OG-CB 3.14Å; N841-A845 VanDerWaalsContact O-CB 3.25Å; N841-A845 WeakPolarHBondContact O-CB 3.45Å; N841-A845 PolarHBondContact O-N 3.32Å; L842-A845 WeakPolarHBondContact O-CB 3.05Å; L842-A845 PolarHBondContact O-N 2.73Å; L842-A845 VanDerWaalsContact O-N 3.1Å; E843-A845 VanDerWaalsContact C-N 3.29Å; E843-A845 PolarHBondContact O-N 3.39Å |
| 846 | L | 50.2 | Low | 49.2 | Very low | 2 Ų | 2 | 60.8 Ų | 60.8 | 1% | 0.01 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -88.8 | -34.2 | -178.2 | -64.9 | 169 | 0 | 0 | 0 | 113.1 | V797 L842 E843 C844 Q859 V862 | V797-L846 HydrophobicContact CB-CD2 4.28Å; V797-L846 HydrophobicContact CG2-CD2 3.62Å; L842-L846 HydrophobicContact CD2-CD1 4.43Å; L842-L846 HydrophobicContact CG-CD1 3.94Å; L842-L846 WeakPolarHBondContact O-CB 3.3Å; L842-L846 WeakPolarHBondContact O-CG 3.46Å; L842-L846 PolarHBondContact O-N 2.82Å; E843-L846 CarbonylContact O-C 3.42Å; E843-L846 PolarHBondContact O-N 2.79Å; C844-L846 VanDerWaalsContact C-N 3.32Å; L846-Q859 HydrophobicContact CB-CB 4.2Å; L846-Q859 HydrophobicContact CB-CG 3.92Å; L846-Q859 HydrophobicContact CD2-CB 4.44Å; L846-Q859 HydrophobicContact CD2-CG 3.53Å; L846-Q859 HydrophobicContact CG-CG 4.21Å; L846-Q859 PolarHBondContact O-NE2 3.14Å; L846-V862 HydrophobicContact CD1-CB 3.63Å; L846-V862 HydrophobicContact CD1-CG1 3.48Å; L846-V862 VanDerWaalsContact CD1-CG1 3.48Å; L846-V862 HydrophobicContact CD1-CG2 3.94Å |
| 847 | L | 46.5 | Very low | 49.2 | Very low | 48 Ų | 48 | 56.9 Ų | 56.9 | 25% | 0.251 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -92.3 | -50.6 | -168.2 | -82.3 | -178.5 | 0 | 0 | 0 | 115.7 | E843 A849 L850 I863 | E843-L847 HydrophobicContact CG-CD1 3.38Å; E843-L847 HydrophobicContact CG-CG 4.07Å; E843-L847 WeakPolarHBondContact O-CB 3.34Å; E843-L847 WeakPolarHBondContact O-CG 3.32Å; E843-L847 PolarHBondContact O-N 3.24Å; E843-L847 WeakPolarHBondContact OE1-CD1 3.42Å; L847-A849 PolarHBondContact O-N 3.05Å; L847-L850 PolarHBondContact O-N 3.01Å; L847-I863 HydrophobicContact CD1-CG1 4.33Å; L847-I863 HydrophobicContact CD2-CD1 3.17Å; L847-I863 HydrophobicContact CD2-CG1 3.81Å; L847-I863 HydrophobicContact CG-CD1 3.8Å; L847-I863 HydrophobicContact CG-CG1 3.93Å |
| 848 | R | 44.7 | Very low | 49.2 | Very low | 218 Ų | 218 | 56.9 Ų | 56.9 | 82% | 0.823 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.3 | -3 | -161.6 | -78.5 | -171.2 | -178.2 | 171.7 | 3.4 | 115.6 | ||
| 849 | A | 49.4 | Very low | 48.9 | Very low | 84 Ų | 84 | 56 Ų | 56 | 69% | 0.694 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.7 | -11.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | L847 | L847-A849 PolarHBondContact O-N 3.05Š|
| 850 | L | 43.6 | Very low | 48.9 | Very low | 40 Ų | 40 | 59.2 Ų | 59.2 | 21% | 0.209 | 33% | 0.328 | C | S | . | . | S | Bend | trans | -129.9 | 122.9 | -172.1 | -67.7 | 164.4 | 0 | 0 | 0 | 109.7 | L847 H854 | L847-L850 PolarHBondContact O-N 3.01Å; L850-H854 HydrophobicContact CB-CB 4.18Å; L850-H854 HydrophobicContact CD2-CB 3.86Å; L850-H854 HydrophobicContact CG-CB 4.48Å |
| 851 | P | 45.5 | Very low | 48.9 | Very low | 92 Ų | 92 | 56.4 Ų | 56.4 | 60% | 0.597 | 32% | 0.316 | S | S | * | . | trans | -52.5 | 143 | 164.4 | -18.5 | 29.4 | 0 | 0 | 0 | 108.7 | A853 H854 | P851-A853 PolarHBondContact O-N 3.48Å; P851-H854 PolarHBondContact O-N 3.35Å | ||
| 852 | D | 49.4 | Very low | 49 | Very low | 139 Ų | 139 | 55.3 Ų | 55.3 | 74% | 0.743 | 31% | 0.31 | S | S | * | . | G | 310 helix | trans | -45.7 | -26.6 | -173.3 | -65.2 | -36.3 | 0 | 0 | 0 | 114.7 | H854 | D852-H854 PolarHBondContact O-N 3.15Š|
| 853 | A | 50 | Low | 49 | Very low | 90 Ų | 90 | 56.1 Ų | 56.1 | 74% | 0.744 | 31% | 0.314 | S | S | * | . | G | 310 helix | trans | -66 | -8.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | P851 | P851-A853 PolarHBondContact O-N 3.48Š|
| 854 | H | 48 | Very low | 49.2 | Very low | 127 Ų | 127 | 54.4 Ų | 54.4 | 59% | 0.588 | 31% | 0.307 | S | S | * | . | G | 310 helix | trans | -128.8 | 2.9 | -175.1 | -65.3 | -31.5 | 0 | 0 | 0 | 114.7 | L850 P851 D852 T856 | L850-H854 HydrophobicContact CB-CB 4.18Å; L850-H854 HydrophobicContact CD2-CB 3.86Å; L850-H854 HydrophobicContact CG-CB 4.48Å; P851-H854 PolarHBondContact O-N 3.35Å; D852-H854 PolarHBondContact O-N 3.15Å; H854-T856 PolarHBondContact O-N 3.13Å; H854-T856 VanDerWaalsContact O-N 3.08Å |
| 855 | C | 50.3 | Low | 49.5 | Very low | 18 Ų | 18 | 53.7 Ų | 53.7 | 12% | 0.122 | 30% | 0.3 | C | S | . | . | trans | -57.8 | 120.4 | 169.7 | -72.7 | 0 | 0 | 0 | 0 | 108.8 | S857 Q860 | C855-S857 PolarHBondContact O-N 2.89Å; C855-Q860 HydrophobicContact CB-CG 3.91Å | ||
| 856 | T | 50.8 | Low | 49.5 | Very low | 52 Ų | 52 | 53.1 Ų | 53.1 | 32% | 0.319 | 30% | 0.296 | S | S | . | . | trans | -61.3 | 140.1 | 167.6 | 62.5 | 0 | 0 | 0 | 0 | 106.9 | H854 L858 Q859 Q860 | H854-T856 PolarHBondContact O-N 3.13Å; H854-T856 VanDerWaalsContact O-N 3.08Å; T856-L858 PolarHBondContact O-N 2.88Å; T856-Q859 WeakPolarHBondContact O-CA 3.44Å; T856-Q859 VanDerWaalsContact O-CB 3.32Å; T856-Q859 WeakPolarHBondContact O-CB 3.32Å; T856-Q859 PolarHBondContact O-N 3.14Å; T856-Q859 VanDerWaalsContact OG1-CD 3.28Å; T856-Q859 WeakPolarHBondContact OG1-CG 3.42Å; T856-Q859 PolarHBondContact OG1-OE1 3.21Å; T856-Q860 PolarHBondContact O-N 3.32Å | ||
| 857 | S | 48.5 | Very low | 49.6 | Very low | 36 Ų | 36 | 56.2 Ų | 56.2 | 25% | 0.252 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -50.9 | -24.9 | 177.2 | 52.7 | 0 | 0 | 0 | 0 | 114.9 | C855 T861 K893 | C855-S857 PolarHBondContact O-N 2.89Å; S857-T861 PolarHBondContact O-N 3.26Å; S857-T861 VanDerWaalsContact O-N 3.13Å; S857-T861 PolarHBondContact O-OG1 3.15Å; S857-K893 VanDerWaalsContact CB-CD 3.48Å; S857-K893 VanDerWaalsContact OG-CD 3.28Å; S857-K893 WeakPolarHBondContact OG-CD 2.96Å; S857-K893 WeakPolarHBondContact OG-CE 3.36Å; S857-K893 PolarHBondContact OG-NZ 3.18Å |
| 858 | L | 49.9 | Very low | 49.8 | Very low | 32 Ų | 32 | 54.5 Ų | 54.5 | 17% | 0.168 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -65.5 | -41.2 | 176.1 | -163.6 | 110.8 | 0 | 0 | 0 | 111.1 | V802 T856 T861 V862 V896 | V802-L858 HydrophobicContact CG2-CD2 4.06Å; T856-L858 PolarHBondContact O-N 2.88Å; L858-T861 PolarHBondContact O-N 2.92Å; L858-V862 PolarHBondContact O-N 3.43Å; L858-V896 HydrophobicContact CB-CG2 4.17Å; L858-V896 HydrophobicContact CD1-CG2 3.28Å; L858-V896 HydrophobicContact CG-CG2 3.47Å; L858-V896 VanDerWaalsContact CG-CG2 3.47Å |
| 859 | Q | 50.4 | Low | 50.2 | Low | 5 Ų | 5 | 44.9 Ų | 44.9 | 2% | 0.023 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -65.6 | -46.5 | 175.8 | -70.6 | 162 | -40.6 | 0 | 0 | 110.7 | L846 T856 T861 V862 I863 | L846-Q859 HydrophobicContact CB-CB 4.2Å; L846-Q859 HydrophobicContact CB-CG 3.92Å; L846-Q859 HydrophobicContact CD2-CB 4.44Å; L846-Q859 HydrophobicContact CD2-CG 3.53Å; L846-Q859 HydrophobicContact CG-CG 4.21Å; L846-Q859 PolarHBondContact O-NE2 3.14Å; T856-Q859 WeakPolarHBondContact O-CA 3.44Å; T856-Q859 VanDerWaalsContact O-CB 3.32Å; T856-Q859 WeakPolarHBondContact O-CB 3.32Å; T856-Q859 PolarHBondContact O-N 3.14Å; T856-Q859 VanDerWaalsContact OG1-CD 3.28Å; T856-Q859 WeakPolarHBondContact OG1-CG 3.42Å; T856-Q859 PolarHBondContact OG1-OE1 3.21Å; Q859-T861 PolarHBondContact O-N 3.4Å; Q859-V862 PolarHBondContact O-N 2.91Å; Q859-V862 VanDerWaalsContact O-N 3.14Å; Q859-I863 VanDerWaalsContact O-CD1 3.25Å; Q859-I863 WeakPolarHBondContact O-CD1 3.44Å; Q859-I863 VanDerWaalsContact O-CG1 3.28Å; Q859-I863 WeakPolarHBondContact O-CG1 3.42Å; Q859-I863 PolarHBondContact O-N 2.96Å |
| 860 | Q | 50.4 | Low | 50.2 | Low | 70 Ų | 70 | 42.5 Ų | 42.5 | 33% | 0.327 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -55.6 | -37.3 | 175.5 | -74.6 | 177.3 | -22 | 0 | 0 | 113 | C855 T856 I863 A864 Y885 | C855-Q860 HydrophobicContact CB-CG 3.91Å; T856-Q860 PolarHBondContact O-N 3.32Å; Q860-I863 PolarHBondContact O-N 3.23Å; Q860-A864 PolarHBondContact O-N 3.38Å; Q860-A864 VanDerWaalsContact O-N 3.14Å; Q860-Y885 WeakPolarHBondContact CB-OH 3.43Å |
| 861 | T | 51.2 | Low | 50.5 | Low | 11 Ų | 11 | 42.5 Ų | 42.5 | 7% | 0.067 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -65.1 | -44.2 | 176.3 | -59.5 | 0 | 0 | 0 | 0 | 113.2 | S857 L858 Q859 I863 F865 I889 V896 | S857-T861 PolarHBondContact O-N 3.26Å; S857-T861 VanDerWaalsContact O-N 3.13Å; S857-T861 PolarHBondContact O-OG1 3.15Å; L858-T861 PolarHBondContact O-N 2.92Å; Q859-T861 PolarHBondContact O-N 3.4Å; T861-I863 VanDerWaalsContact C-N 3.32Å; T861-F865 PolarHBondContact O-N 3.45Å; T861-F865 VanDerWaalsContact O-N 3.13Å; T861-I889 HydrophobicContact CG2-CD1 4.17Å; T861-I889 HydrophobicContact CG2-CG1 4.41Å; T861-I889 HydrophobicContact CG2-CG2 3.36Å; T861-V896 HydrophobicContact CG2-CB 3.69Å; T861-V896 HydrophobicContact CG2-CG1 3.45Å; T861-V896 VanDerWaalsContact CG2-CG1 3.45Å; T861-V896 HydrophobicContact CG2-CG2 4.22Å |
| 862 | V | 52.4 | Low | 50.5 | Low | 1 Ų | 1 | 40.5 Ų | 40.5 | 1% | 0.006 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -64 | -42.4 | 177.7 | 174.5 | 0 | 0 | 0 | 0 | 110.4 | V802 L842 L846 L858 Q859 A864 F865 C866 V896 F900 | V802-V862 HydrophobicContact CG1-CG2 4.19Å; L842-V862 HydrophobicContact CD2-CG1 3.38Å; L842-V862 HydrophobicContact CG-CG1 4.12Å; L846-V862 HydrophobicContact CD1-CB 3.63Å; L846-V862 HydrophobicContact CD1-CG1 3.48Å; L846-V862 VanDerWaalsContact CD1-CG1 3.48Å; L846-V862 HydrophobicContact CD1-CG2 3.94Å; L858-V862 PolarHBondContact O-N 3.43Å; Q859-V862 PolarHBondContact O-N 2.91Å; Q859-V862 VanDerWaalsContact O-N 3.14Å; V862-A864 PolarHBondContact O-N 3.11Å; V862-F865 PolarHBondContact O-N 3.37Å; V862-C866 PolarHBondContact O-N 3.34Å; V862-C866 PolarHBondContact O-SG 3.09Å; V862-V896 HydrophobicContact CG2-CG1 4.4Å; V862-F900 HydrophobicContact CG2-CE2 4.02Å; V862-F900 HydrophobicContact CG2-CZ 4.33Å |
| 863 | I | 52.7 | Low | 50.4 | Low | 26 Ų | 26 | 37.6 Ų | 37.6 | 13% | 0.133 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -55.7 | -53.7 | 178.3 | -67.8 | 153.3 | 0 | 0 | 0 | 110.6 | L847 Q859 Q860 T861 F865 C866 D867 | L847-I863 HydrophobicContact CD1-CG1 4.33Å; L847-I863 HydrophobicContact CD2-CD1 3.17Å; L847-I863 HydrophobicContact CD2-CG1 3.81Å; L847-I863 HydrophobicContact CG-CD1 3.8Å; L847-I863 HydrophobicContact CG-CG1 3.93Å; Q859-I863 VanDerWaalsContact O-CD1 3.25Å; Q859-I863 WeakPolarHBondContact O-CD1 3.44Å; Q859-I863 VanDerWaalsContact O-CG1 3.28Å; Q859-I863 WeakPolarHBondContact O-CG1 3.42Å; Q859-I863 PolarHBondContact O-N 2.96Å; Q860-I863 PolarHBondContact O-N 3.23Å; T861-I863 VanDerWaalsContact C-N 3.32Å; I863-F865 VanDerWaalsContact C-N 3.3Å; I863-F865 PolarHBondContact O-N 2.87Å; I863-C866 CarbonylContact O-C 3.42Å; I863-C866 WeakPolarHBondContact O-CA 3.44Å; I863-C866 VanDerWaalsContact O-CB 3.29Å; I863-C866 WeakPolarHBondContact O-CB 3.43Å; I863-C866 PolarHBondContact O-N 2.95Å; I863-C866 VanDerWaalsContact O-N 3.08Å; I863-D867 WeakPolarHBondContact CG2-OD2 3.26Å; I863-D867 VanDerWaalsContact O-CG 3.25Å; I863-D867 PolarHBondContact O-N 3.47Å |
| 864 | A | 51.5 | Low | 50.1 | Low | 5 Ų | 5 | 38.6 Ų | 38.6 | 4% | 0.041 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -66.6 | -30.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q860 V862 F868 Y885 I889 | Q860-A864 PolarHBondContact O-N 3.38Å; Q860-A864 VanDerWaalsContact O-N 3.14Å; V862-A864 PolarHBondContact O-N 3.11Å; A864-F868 WeakPolarHBondContact O-CB 3.31Å; A864-F868 PolarHBondContact O-N 3.35Å; A864-Y885 HydrophobicContact CB-CD1 3.24Å; A864-Y885 HydrophobicContact CB-CE1 3.68Å; A864-Y885 HydrophobicContact CB-CG 4.26Å; A864-I889 HydrophobicContact CB-CD1 3.41Å; A864-I889 VanDerWaalsContact CB-CD1 3.41Å |
| 865 | F | 52.4 | Low | 50 | Low | 20 Ų | 20 | 35.6 Ų | 35.6 | 9% | 0.088 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -64.7 | -43.3 | 172.5 | -168.9 | -86.4 | 0 | 0 | 0 | 111 | F839 T861 V862 I863 F869 M886 F900 V903 L907 | F839-F865 HydrophobicContact CE1-CD1 4.15Å; F839-F865 HydrophobicContact CE1-CE1 4.46Å; F839-F865 HydrophobicContact CZ-CD1 4.13Å; F839-F865 HydrophobicContact CZ-CE1 4.01Å; T861-F865 PolarHBondContact O-N 3.45Å; T861-F865 VanDerWaalsContact O-N 3.13Å; V862-F865 PolarHBondContact O-N 3.37Å; I863-F865 VanDerWaalsContact C-N 3.3Å; I863-F865 PolarHBondContact O-N 2.87Å; F865-F869 WeakPolarHBondContact O-CB 3.41Å; F865-F869 PolarHBondContact O-N 2.78Å; F865-F869 VanDerWaalsContact O-N 3.13Å; F865-M886 HydrophobicContact CB-CE 4.39Å; F865-M886 HydrophobicContact CD2-CE 3.68Å; F865-M886 HydrophobicContact CD2-SD 4Å; F865-M886 HydrophobicContact CE2-CE 4.2Å; F865-M886 HydrophobicContact CG-CE 4.24Å; F865-F900 HydrophobicContact CD1-CD1 4.41Å; F865-F900 HydrophobicContact CE1-CD1 4.38Å; F865-V903 HydrophobicContact CE1-CG1 3.79Å; F865-V903 HydrophobicContact CZ-CB 4.32Å; F865-V903 HydrophobicContact CZ-CG1 3.51Å; F865-L907 HydrophobicContact CZ-CD1 3.93Å |
| 866 | C | 52.6 | Low | 49.7 | Very low | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61.3 | -50 | 173.1 | -62.1 | 0 | 0 | 0 | 0 | 111.1 | F839 V862 I863 F869 F870 | F839-C866 WeakPolarHBondContact CD1-SG 3.1Å; V862-C866 PolarHBondContact O-N 3.34Å; V862-C866 PolarHBondContact O-SG 3.09Å; I863-C866 CarbonylContact O-C 3.42Å; I863-C866 WeakPolarHBondContact O-CA 3.44Å; I863-C866 VanDerWaalsContact O-CB 3.29Å; I863-C866 WeakPolarHBondContact O-CB 3.43Å; I863-C866 PolarHBondContact O-N 2.95Å; I863-C866 VanDerWaalsContact O-N 3.08Å; C866-F869 PolarHBondContact O-N 2.67Å; C866-F870 HydrophobicContact CB-CD2 4.12Å; C866-F870 HydrophobicContact CB-CE2 3.95Å; C866-F870 WeakPolarHBondContact O-CB 3.25Å; C866-F870 WeakPolarHBondContact O-CD2 3.31Å; C866-F870 WeakPolarHBondContact O-CG 3.29Å; C866-F870 PolarHBondContact O-N 3.33Å |
| 867 | D | 51.7 | Low | 49.3 | Very low | 66 Ų | 66 | 41.7 Ų | 41.7 | 35% | 0.353 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -59.9 | -50.9 | -177.1 | -66.1 | -23 | 0 | 0 | 0 | 111.1 | I863 F869 F870 E871 | I863-D867 WeakPolarHBondContact CG2-OD2 3.26Å; I863-D867 VanDerWaalsContact O-CG 3.25Å; I863-D867 PolarHBondContact O-N 3.47Å; D867-F869 VanDerWaalsContact C-N 3.3Å; D867-F869 PolarHBondContact O-N 2.95Å; D867-F870 PolarHBondContact O-N 2.97Å; D867-E871 VanDerWaalsContact O-CB 3.31Å; D867-E871 WeakPolarHBondContact O-CB 3.32Å; D867-E871 VanDerWaalsContact O-CG 3.3Å; D867-E871 WeakPolarHBondContact O-CG 3.24Å; D867-E871 PolarHBondContact O-N 2.91Å |
| 868 | F | 51.1 | Low | 49.1 | Very low | 12 Ų | 12 | 46.5 Ų | 46.5 | 5% | 0.053 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -57 | -43 | 175.4 | 175.9 | -97.8 | 0 | 0 | 0 | 112.5 | A864 E871 Q872 A882 L883 M886 M931 | A864-F868 WeakPolarHBondContact O-CB 3.31Å; A864-F868 PolarHBondContact O-N 3.35Å; F868-E871 PolarHBondContact O-N 3.29Å; F868-Q872 HydrophobicContact CD1-CG 4.41Å; F868-Q872 HydrophobicContact CE1-CG 3.95Å; F868-Q872 HydrophobicContact CE2-CG 4.23Å; F868-Q872 HydrophobicContact CZ-CG 3.84Å; F868-Q872 WeakPolarHBondContact O-CG 3.44Å; F868-Q872 PolarHBondContact O-N 3.16Å; F868-A882 HydrophobicContact CB-CB 4.06Å; F868-A882 HydrophobicContact CD2-CB 4.27Å; F868-L883 HydrophobicContact CE2-CD2 4.46Å; F868-L883 HydrophobicContact CE2-CG 4.03Å; F868-M886 HydrophobicContact CB-CE 3.28Å; F868-M886 HydrophobicContact CD1-CE 3.28Å; F868-M886 HydrophobicContact CD2-CE 4.31Å; F868-M886 HydrophobicContact CE1-CE 4.17Å; F868-M886 HydrophobicContact CG-CE 3.35Å; F868-M931 HydrophobicContact CD1-CE 4.19Å; F868-M931 HydrophobicContact CD1-SD 4.24Å; F868-M931 HydrophobicContact CD2-CE 3.69Å; F868-M931 HydrophobicContact CD2-SD 4.05Å; F868-M931 HydrophobicContact CE1-CE 4.13Å; F868-M931 HydrophobicContact CE1-SD 3.58Å; F868-M931 VanDerWaalsContact CE1-SD 3.58Å; F868-M931 HydrophobicContact CE2-CE 3.64Å; F868-M931 HydrophobicContact CE2-SD 3.38Å; F868-M931 WeakPolarHBondContact CE2-SD 3.17Å; F868-M931 HydrophobicContact CG-CE 3.97Å; F868-M931 HydrophobicContact CG-SD 4.44Å; F868-M931 HydrophobicContact CZ-CE 3.86Å; F868-M931 HydrophobicContact CZ-SD 3.1Å; F868-M931 WeakPolarHBondContact CZ-SD 2.98Å |
| 869 | F | 51.8 | Low | 49 | Very low | 16 Ų | 16 | 48.8 Ų | 48.8 | 7% | 0.07 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -65.8 | -44.4 | 179.4 | -177.6 | -87.9 | 0 | 0 | 0 | 111.6 | L835 F865 C866 D867 Q872 C873 L907 | L835-F869 HydrophobicContact CB-CE1 3.85Å; L835-F869 HydrophobicContact CB-CZ 4.43Å; L835-F869 HydrophobicContact CD1-CE1 3.44Å; L835-F869 VanDerWaalsContact CD1-CE1 3.44Å; L835-F869 HydrophobicContact CD1-CE2 4.25Å; L835-F869 HydrophobicContact CD1-CZ 3.19Å; L835-F869 HydrophobicContact CD2-CD1 4.11Å; L835-F869 HydrophobicContact CD2-CE1 3.57Å; L835-F869 HydrophobicContact CD2-CE2 4.01Å; L835-F869 HydrophobicContact CD2-CZ 3.53Å; L835-F869 HydrophobicContact CG-CE1 3.79Å; L835-F869 HydrophobicContact CG-CZ 3.86Å; F865-F869 WeakPolarHBondContact O-CB 3.41Å; F865-F869 PolarHBondContact O-N 2.78Å; F865-F869 VanDerWaalsContact O-N 3.13Å; C866-F869 PolarHBondContact O-N 2.67Å; D867-F869 VanDerWaalsContact C-N 3.3Å; D867-F869 PolarHBondContact O-N 2.95Å; F869-Q872 PolarHBondContact O-N 3.39Å; F869-C873 PolarHBondContact O-N 3.42Å; F869-C873 VanDerWaalsContact O-N 3.11Å; F869-C873 PolarHBondContact O-SG 2.66Å; F869-C873 VanDerWaalsContact O-SG 3.41Å; F869-L907 HydrophobicContact CE2-CD2 4.32Å |
| 870 | F | 50.1 | Low | 48.8 | Very low | 34 Ų | 34 | 55.2 Ų | 55.2 | 15% | 0.149 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -68.9 | -34.8 | 177.6 | -71.5 | -56.8 | 0 | 0 | 0 | 112.1 | R836 F839 C866 D867 C873 N874 | R836-F870 HydrophobicContact CB-CE1 4.11Å; R836-F870 HydrophobicContact CB-CZ 4.5Å; R836-F870 HydrophobicContact CG-CE1 3.91Å; R836-F870 HydrophobicContact CG-CZ 4.35Å; F839-F870 HydrophobicContact CB-CE2 4.27Å; F839-F870 HydrophobicContact CB-CZ 4.18Å; C866-F870 HydrophobicContact CB-CD2 4.12Å; C866-F870 HydrophobicContact CB-CE2 3.95Å; C866-F870 WeakPolarHBondContact O-CB 3.25Å; C866-F870 WeakPolarHBondContact O-CD2 3.31Å; C866-F870 WeakPolarHBondContact O-CG 3.29Å; C866-F870 PolarHBondContact O-N 3.33Å; D867-F870 PolarHBondContact O-N 2.97Å; F870-C873 CarbonylContact O-C 3.49Å; F870-C873 PolarHBondContact O-N 3.46Å; F870-N874 VanDerWaalsContact O-CB 3.28Å; F870-N874 WeakPolarHBondContact O-CB 3.4Å; F870-N874 PolarHBondContact O-N 3.44Å; F870-N874 PolarHBondContact O-ND2 2.93Å; F870-N874 VanDerWaalsContact O-ND2 3.12Å |
| 871 | E | 50 | Low | 48.7 | Very low | 41 Ų | 41 | 54.9 Ų | 54.9 | 19% | 0.192 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -64.9 | -45.3 | 172.6 | -77.7 | 179.3 | 179.5 | 0 | 0 | 111.5 | D867 F868 C873 N874 G875 A882 | D867-E871 VanDerWaalsContact O-CB 3.31Å; D867-E871 WeakPolarHBondContact O-CB 3.32Å; D867-E871 VanDerWaalsContact O-CG 3.3Å; D867-E871 WeakPolarHBondContact O-CG 3.24Å; D867-E871 PolarHBondContact O-N 2.91Å; F868-E871 PolarHBondContact O-N 3.29Å; E871-C873 PolarHBondContact O-N 2.85Å; E871-N874 PolarHBondContact O-N 2.8Å; E871-G875 PolarHBondContact O-N 3.49Å; E871-A882 WeakPolarHBondContact OE2-CB 3.49Å |
| 872 | Q | 46.5 | Very low | 48.6 | Very low | 49 Ų | 49 | 54.7 Ų | 54.7 | 23% | 0.229 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -58.4 | -31.2 | 172.4 | -77.9 | -146.1 | -25.9 | 0 | 0 | 112.6 | F868 F869 T928 | F868-Q872 HydrophobicContact CD1-CG 4.41Å; F868-Q872 HydrophobicContact CE1-CG 3.95Å; F868-Q872 HydrophobicContact CE2-CG 4.23Å; F868-Q872 HydrophobicContact CZ-CG 3.84Å; F868-Q872 WeakPolarHBondContact O-CG 3.44Å; F868-Q872 PolarHBondContact O-N 3.16Å; F869-Q872 PolarHBondContact O-N 3.39Å; Q872-T928 PolarHBondContact NE2-OG1 2.9Å |
| 873 | C | 45.3 | Very low | 48.3 | Very low | 78 Ų | 78 | 56.7 Ų | 56.7 | 53% | 0.527 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -81.3 | -27 | 176.5 | -73.6 | 0 | 0 | 0 | 0 | 113.6 | F869 F870 E871 | F869-C873 PolarHBondContact O-N 3.42Å; F869-C873 VanDerWaalsContact O-N 3.11Å; F869-C873 PolarHBondContact O-SG 2.66Å; F869-C873 VanDerWaalsContact O-SG 3.41Å; F870-C873 CarbonylContact O-C 3.49Å; F870-C873 PolarHBondContact O-N 3.46Å; E871-C873 PolarHBondContact O-N 2.85Å |
| 874 | N | 45.1 | Very low | 48.1 | Very low | 112 Ų | 112 | 57.8 Ų | 57.8 | 60% | 0.599 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -104.6 | -12.1 | -172.7 | -67.1 | -30 | 0 | 0 | 0 | 114.6 | F870 E871 V876 | F870-N874 VanDerWaalsContact O-CB 3.28Å; F870-N874 WeakPolarHBondContact O-CB 3.4Å; F870-N874 PolarHBondContact O-N 3.44Å; F870-N874 PolarHBondContact O-ND2 2.93Å; F870-N874 VanDerWaalsContact O-ND2 3.12Å; E871-N874 PolarHBondContact O-N 2.8Å; N874-V876 VanDerWaalsContact C-N 3.32Å; N874-V876 HydrophobicContact CB-CG2 4.01Å; N874-V876 PolarHBondContact O-N 3.48Å |
| 875 | G | 45.4 | Very low | 48 | Very low | 64 Ų | 64 | 61.9 Ų | 61.9 | 66% | 0.66 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.7 | 31 | 176 | 0 | 0 | 0 | 0 | 0 | 114.6 | E871 | E871-G875 PolarHBondContact O-N 3.49Š|
| 876 | V | 43.3 | Very low | 47.8 | Very low | 86 Ų | 86 | 61.4 Ų | 61.4 | 52% | 0.521 | 35% | 0.354 | S | S | . | . | trans | -96 | 137.3 | -175.9 | -174.9 | 0 | 0 | 0 | 0 | 110.6 | N874 E878 | N874-V876 VanDerWaalsContact C-N 3.32Å; N874-V876 HydrophobicContact CB-CG2 4.01Å; N874-V876 PolarHBondContact O-N 3.48Å; V876-E878 VanDerWaalsContact C-N 3.3Å; V876-E878 PolarHBondContact O-N 2.87Å | ||
| 877 | S | 43.6 | Very low | 47.7 | Very low | 112 Ų | 112 | 65 Ų | 65 | 78% | 0.783 | 37% | 0.37 | S | S | * | . | S | Bend | trans | -74.7 | 16.1 | -159.9 | 67.8 | 0 | 0 | 0 | 0 | 118 | ||
| 878 | E | 44.9 | Very low | 47.6 | Very low | 136 Ų | 136 | 64.5 Ų | 64.5 | 64% | 0.636 | 37% | 0.37 | S | S | * | . | trans | -94 | 23.3 | 172.7 | -70.1 | -166.9 | 172.1 | 0 | 0 | 112.4 | V876 D880 S881 | V876-E878 VanDerWaalsContact C-N 3.3Å; V876-E878 PolarHBondContact O-N 2.87Å; E878-D880 PolarHBondContact O-N 3.44Å; E878-S881 WeakPolarHBondContact O-CB 3.29Å; E878-S881 PolarHBondContact O-N 2.87Å; E878-S881 PolarHBondContact O-OG 3.38Å | ||
| 879 | E | 46.8 | Very low | 47.4 | Very low | 80 Ų | 80 | 64.9 Ų | 64.9 | 37% | 0.374 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -46.2 | -36.9 | 179.9 | -67.9 | -175.3 | 152.2 | 0 | 0 | 113.9 | S881 L883 | E879-S881 VanDerWaalsContact C-N 3.26Å; E879-S881 PolarHBondContact O-N 3.43Å; E879-L883 WeakPolarHBondContact O-CB 3.41Å; E879-L883 PolarHBondContact O-N 2.91Å |
| 880 | D | 46.6 | Very low | 47.2 | Very low | 141 Ų | 141 | 64.4 Ų | 64.4 | 75% | 0.754 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -64.9 | -29.2 | -179.6 | -77.3 | -24.9 | 0 | 0 | 0 | 112.6 | E878 A884 | E878-D880 PolarHBondContact O-N 3.44Å; D880-A884 WeakPolarHBondContact O-CB 3.35Å; D880-A884 PolarHBondContact O-N 2.87Å |
| 881 | S | 48 | Very low | 47.1 | Very low | 63 Ų | 63 | 68.2 Ų | 68.2 | 44% | 0.441 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -77.9 | -46.6 | -176 | 71.8 | 0 | 0 | 0 | 0 | 112.3 | E878 E879 A884 Y885 | E878-S881 WeakPolarHBondContact O-CB 3.29Å; E878-S881 PolarHBondContact O-N 2.87Å; E878-S881 PolarHBondContact O-OG 3.38Å; E879-S881 VanDerWaalsContact C-N 3.26Å; E879-S881 PolarHBondContact O-N 3.43Å; S881-A884 PolarHBondContact O-N 2.94Å; S881-Y885 VanDerWaalsContact O-CB 3.25Å; S881-Y885 WeakPolarHBondContact O-CB 3.44Å; S881-Y885 PolarHBondContact O-N 3.4Å |
| 882 | A | 48.1 | Very low | 47.1 | Very low | 6 Ų | 6 | 72.6 Ų | 72.6 | 5% | 0.05 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -69.4 | -37.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | F868 E871 Y885 M886 | F868-A882 HydrophobicContact CB-CB 4.06Å; F868-A882 HydrophobicContact CD2-CB 4.27Å; E871-A882 WeakPolarHBondContact OE2-CB 3.49Å; A882-Y885 PolarHBondContact O-N 2.92Å; A882-M886 WeakPolarHBondContact O-CB 3.31Å; A882-M886 PolarHBondContact O-N 3.29Å |
| 883 | L | 47.1 | Very low | 47.3 | Very low | 44 Ų | 44 | 73.7 Ų | 73.7 | 23% | 0.23 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -61.6 | -52 | 171 | -95.4 | 150.4 | 0 | 0 | 0 | 111.5 | F868 E879 Y885 M886 E887 M931 | F868-L883 HydrophobicContact CE2-CD2 4.46Å; F868-L883 HydrophobicContact CE2-CG 4.03Å; E879-L883 WeakPolarHBondContact O-CB 3.41Å; E879-L883 PolarHBondContact O-N 2.91Å; L883-Y885 PolarHBondContact O-N 3.47Å; L883-M886 PolarHBondContact O-N 3.45Å; L883-E887 WeakPolarHBondContact O-CG 3.35Å; L883-E887 PolarHBondContact O-N 3.1Å; L883-M931 HydrophobicContact CD2-CB 4.02Å; L883-M931 HydrophobicContact CD2-CE 4.25Å; L883-M931 HydrophobicContact CD2-CG 3.87Å; L883-M931 HydrophobicContact CD2-SD 4Å |
| 884 | A | 49.1 | Very low | 47.4 | Very low | 48 Ų | 48 | 70.4 Ų | 70.4 | 40% | 0.397 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -60 | -35.8 | 178 | 0 | 0 | 0 | 0 | 0 | 111.8 | D880 S881 T888 | D880-A884 WeakPolarHBondContact O-CB 3.35Å; D880-A884 PolarHBondContact O-N 2.87Å; S881-A884 PolarHBondContact O-N 2.94Å; A884-T888 WeakPolarHBondContact O-CB 3.37Å; A884-T888 PolarHBondContact O-N 3.42Å; A884-T888 PolarHBondContact O-OG1 3.37Å |
| 885 | Y | 48.7 | Very low | 47.5 | Very low | 91 Ų | 91 | 70.8 Ų | 70.8 | 36% | 0.357 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -75 | -39.9 | -179.4 | -159.2 | -89.2 | 0 | 0 | 0 | 112.7 | Q860 A864 S881 A882 L883 T888 I889 | Q860-Y885 WeakPolarHBondContact CB-OH 3.43Å; A864-Y885 HydrophobicContact CB-CD1 3.24Å; A864-Y885 HydrophobicContact CB-CE1 3.68Å; A864-Y885 HydrophobicContact CB-CG 4.26Å; S881-Y885 VanDerWaalsContact O-CB 3.25Å; S881-Y885 WeakPolarHBondContact O-CB 3.44Å; S881-Y885 PolarHBondContact O-N 3.4Å; A882-Y885 PolarHBondContact O-N 2.92Å; L883-Y885 PolarHBondContact O-N 3.47Å; Y885-T888 CarbonylContact O-C 3.58Å; Y885-T888 WeakPolarHBondContact O-CA 3.22Å; Y885-T888 WeakPolarHBondContact O-CB 3.17Å; Y885-T888 PolarHBondContact O-N 3.47Å; Y885-I889 HydrophobicContact CD1-CD1 3.39Å; Y885-I889 HydrophobicContact CD1-CG1 3.8Å; Y885-I889 HydrophobicContact CE1-CD1 3.57Å; Y885-I889 HydrophobicContact CE1-CG1 3.78Å; Y885-I889 VanDerWaalsContact O-CG1 3.31Å; Y885-I889 WeakPolarHBondContact O-CG1 3.15Å; Y885-I889 PolarHBondContact O-N 3.13Å |
| 886 | M | 49.1 | Very low | 47.6 | Very low | 11 Ų | 11 | 68.1 Ų | 68.1 | 5% | 0.054 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -63.8 | -37.9 | 171.1 | -81.5 | -118.8 | -140.2 | 0 | 0 | 112.8 | F865 F868 A882 L883 T888 I889 A890 M931 | F865-M886 HydrophobicContact CB-CE 4.39Å; F865-M886 HydrophobicContact CD2-CE 3.68Å; F865-M886 HydrophobicContact CD2-SD 4Å; F865-M886 HydrophobicContact CE2-CE 4.2Å; F865-M886 HydrophobicContact CG-CE 4.24Å; F868-M886 HydrophobicContact CB-CE 3.28Å; F868-M886 HydrophobicContact CD1-CE 3.28Å; F868-M886 HydrophobicContact CD2-CE 4.31Å; F868-M886 HydrophobicContact CE1-CE 4.17Å; F868-M886 HydrophobicContact CG-CE 3.35Å; A882-M886 WeakPolarHBondContact O-CB 3.31Å; A882-M886 PolarHBondContact O-N 3.29Å; L883-M886 PolarHBondContact O-N 3.45Å; M886-T888 PolarHBondContact O-N 3.25Å; M886-I889 PolarHBondContact O-N 3.08Å; M886-A890 WeakPolarHBondContact O-CB 3.33Å; M886-A890 PolarHBondContact O-N 2.92Å; M886-M931 HydrophobicContact CB-CE 3.11Å; M886-M931 HydrophobicContact CE-CE 3.61Å; M886-M931 HydrophobicContact CG-CE 3.26Å; M886-M931 HydrophobicContact SD-CE 3.44Å; M886-M931 WeakPolarHBondContact SD-CE 3.29Å |
| 887 | E | 49.1 | Very low | 47.8 | Very low | 74 Ų | 74 | 65.1 Ų | 65.1 | 35% | 0.346 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -62.1 | -34.9 | 169.7 | -72.6 | -160.8 | 147 | 0 | 0 | 111.8 | L883 K891 S934 | L883-E887 WeakPolarHBondContact O-CG 3.35Å; L883-E887 PolarHBondContact O-N 3.1Å; E887-K891 WeakPolarHBondContact O-CG 3.48Å; E887-K891 PolarHBondContact O-N 3.19Å; E887-S934 PolarHBondContact OE1-OG 3.36Å |
| 888 | T | 49.3 | Very low | 48 | Very low | 56 Ų | 56 | 63.7 Ų | 63.7 | 34% | 0.344 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -71.1 | -40.7 | 175.9 | -54.7 | 0 | 0 | 0 | 0 | 111.8 | A884 Y885 M886 K891 E892 | A884-T888 WeakPolarHBondContact O-CB 3.37Å; A884-T888 PolarHBondContact O-N 3.42Å; A884-T888 PolarHBondContact O-OG1 3.37Å; Y885-T888 CarbonylContact O-C 3.58Å; Y885-T888 WeakPolarHBondContact O-CA 3.22Å; Y885-T888 WeakPolarHBondContact O-CB 3.17Å; Y885-T888 PolarHBondContact O-N 3.47Å; M886-T888 PolarHBondContact O-N 3.25Å; T888-K891 CarbonylContact O-C 3.53Å; T888-K891 WeakPolarHBondContact O-CA 3.19Å; T888-K891 WeakPolarHBondContact O-CB 3.29Å; T888-K891 PolarHBondContact O-N 3.09Å; T888-K891 VanDerWaalsContact O-N 3.08Å; T888-E892 PolarHBondContact O-N 3.04Å |
| 889 | I | 47.4 | Very low | 48.3 | Very low | 21 Ų | 21 | 57.3 Ų | 57.3 | 11% | 0.108 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -61.4 | -45.9 | 173.5 | -74.9 | 164 | 0 | 0 | 0 | 111 | T861 A864 Y885 M886 K891 E892 K893 | T861-I889 HydrophobicContact CG2-CD1 4.17Å; T861-I889 HydrophobicContact CG2-CG1 4.41Å; T861-I889 HydrophobicContact CG2-CG2 3.36Å; A864-I889 HydrophobicContact CB-CD1 3.41Å; A864-I889 VanDerWaalsContact CB-CD1 3.41Å; Y885-I889 HydrophobicContact CD1-CD1 3.39Å; Y885-I889 HydrophobicContact CD1-CG1 3.8Å; Y885-I889 HydrophobicContact CE1-CD1 3.57Å; Y885-I889 HydrophobicContact CE1-CG1 3.78Å; Y885-I889 VanDerWaalsContact O-CG1 3.31Å; Y885-I889 WeakPolarHBondContact O-CG1 3.15Å; Y885-I889 PolarHBondContact O-N 3.13Å; M886-I889 PolarHBondContact O-N 3.08Å; I889-K891 PolarHBondContact O-N 3.29Å; I889-E892 PolarHBondContact O-N 3.42Å; I889-K893 PolarHBondContact O-N 3.22Å |
| 890 | A | 48.7 | Very low | 48.7 | Very low | 6 Ų | 6 | 53.9 Ų | 53.9 | 5% | 0.05 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -57.4 | -35.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | M886 V935 E938 Q942 | M886-A890 WeakPolarHBondContact O-CB 3.33Å; M886-A890 PolarHBondContact O-N 2.92Å; A890-V935 HydrophobicContact CB-CB 4.4Å; A890-V935 HydrophobicContact CB-CG1 4.38Å; A890-V935 HydrophobicContact CB-CG2 4.19Å; A890-E938 HydrophobicContact CB-CB 3.95Å; A890-E938 HydrophobicContact CB-CG 4.18Å; A890-E938 WeakPolarHBondContact O-CG 3.38Å; A890-Q942 PolarHBondContact O-NE2 3.27Å |
| 891 | K | 46.8 | Very low | 49.3 | Very low | 113 Ų | 113 | 48.4 Ų | 48.4 | 49% | 0.491 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -74.7 | -23 | 175.3 | -73.4 | 170.3 | -176.1 | 164.2 | 0 | 115 | E887 T888 I889 E938 Q942 | E887-K891 WeakPolarHBondContact O-CG 3.48Å; E887-K891 PolarHBondContact O-N 3.19Å; T888-K891 CarbonylContact O-C 3.53Å; T888-K891 WeakPolarHBondContact O-CA 3.19Å; T888-K891 WeakPolarHBondContact O-CB 3.29Å; T888-K891 PolarHBondContact O-N 3.09Å; T888-K891 VanDerWaalsContact O-N 3.08Å; I889-K891 PolarHBondContact O-N 3.29Å; K891-E938 HydrophobicContact CB-CG 4.25Å; K891-E938 HydrophobicContact CG-CG 3.73Å; K891-Q942 PolarHBondContact O-NE2 3.36Å |
| 892 | E | 49.9 | Very low | 49.8 | Very low | 133 Ų | 133 | 47.5 Ų | 47.5 | 62% | 0.621 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -114.8 | -26.6 | -170.2 | -69.8 | -167.5 | 174.8 | 0 | 0 | 116.6 | T888 I889 | T888-E892 PolarHBondContact O-N 3.04Å; I889-E892 PolarHBondContact O-N 3.42Å |
| 893 | K | 51.9 | Low | 50.1 | Low | 72 Ų | 72 | 47.3 Ų | 47.3 | 31% | 0.313 | 25% | 0.249 | S | C | . | . | trans | -143.6 | 73 | -163.4 | -58.7 | -71.9 | 157.9 | 168.4 | 0 | 115.5 | S857 I889 I895 | S857-K893 VanDerWaalsContact CB-CD 3.48Å; S857-K893 VanDerWaalsContact OG-CD 3.28Å; S857-K893 WeakPolarHBondContact OG-CD 2.96Å; S857-K893 WeakPolarHBondContact OG-CE 3.36Å; S857-K893 PolarHBondContact OG-NZ 3.18Å; I889-K893 PolarHBondContact O-N 3.22Å; K893-I895 PolarHBondContact O-N 3.35Å | ||
| 894 | A | 47.8 | Very low | 50.7 | Low | 10 Ų | 10 | 45.7 Ų | 45.7 | 8% | 0.083 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -62.8 | -27.2 | -177 | 0 | 0 | 0 | 0 | 0 | 117 | V896 A897 L939 V948 | A894-V896 VanDerWaalsContact C-N 3.34Å; A894-V896 PolarHBondContact O-N 3.5Å; A894-A897 PolarHBondContact O-N 3.47Å; A894-L939 HydrophobicContact CB-CD2 3.87Å; A894-V948 HydrophobicContact CB-CB 4.06Å; A894-V948 HydrophobicContact CB-CG1 3.31Å; A894-V948 HydrophobicContact CB-CG2 3.59Å |
| 895 | I | 46.2 | Very low | 51.4 | Low | 120 Ų | 120 | 44.6 Ų | 44.6 | 62% | 0.615 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -65.7 | -33.8 | -175.2 | -64.1 | 172.6 | 0 | 0 | 0 | 112.4 | T799 K893 | T799-I895 HydrophobicContact CG2-CG2 4.25Å; K893-I895 PolarHBondContact O-N 3.35Å |
| 896 | V | 46.6 | Very low | 51.9 | Low | 8 Ų | 8 | 41.3 Ų | 41.3 | 5% | 0.048 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -75.5 | -37 | 179.5 | -171.3 | 0 | 0 | 0 | 0 | 111.5 | L858 T861 V862 A894 V898 G899 F900 | L858-V896 HydrophobicContact CB-CG2 4.17Å; L858-V896 HydrophobicContact CD1-CG2 3.28Å; L858-V896 HydrophobicContact CG-CG2 3.47Å; L858-V896 VanDerWaalsContact CG-CG2 3.47Å; T861-V896 HydrophobicContact CG2-CB 3.69Å; T861-V896 HydrophobicContact CG2-CG1 3.45Å; T861-V896 VanDerWaalsContact CG2-CG1 3.45Å; T861-V896 HydrophobicContact CG2-CG2 4.22Å; V862-V896 HydrophobicContact CG2-CG1 4.4Å; A894-V896 VanDerWaalsContact C-N 3.34Å; A894-V896 PolarHBondContact O-N 3.5Å; V896-V898 PolarHBondContact O-N 3.5Å; V896-G899 PolarHBondContact O-N 2.51Å; V896-F900 HydrophobicContact CG1-CD2 4.03Å; V896-F900 HydrophobicContact CG1-CE2 4.19Å |
| 897 | A | 48.4 | Very low | 52.5 | Low | 23 Ų | 23 | 41.9 Ų | 41.9 | 19% | 0.19 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -55.1 | -38.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | A894 G899 F900 L901 L939 | A894-A897 PolarHBondContact O-N 3.47Å; A897-G899 PolarHBondContact O-N 3.2Å; A897-F900 CarbonylContact O-C 3.59Å; A897-F900 PolarHBondContact O-N 3.47Å; A897-L901 WeakPolarHBondContact O-CG 3.4Å; A897-L901 PolarHBondContact O-N 3.49Å; A897-L939 HydrophobicContact CB-CD1 3.82Å; A897-L939 HydrophobicContact CB-CD2 3.96Å; A897-L939 HydrophobicContact CB-CG 4.48Å |
| 898 | V | 48.1 | Very low | 53.2 | Low | 81 Ų | 81 | 38.4 Ų | 38.4 | 49% | 0.491 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -59.9 | -42.6 | -179.3 | -178.1 | 0 | 0 | 0 | 0 | 113.2 | V896 F900 L901 | V896-V898 PolarHBondContact O-N 3.5Å; V898-F900 VanDerWaalsContact C-N 3.28Å; V898-F900 PolarHBondContact O-N 2.88Å; V898-L901 HydrophobicContact CB-CD1 4.44Å; V898-L901 HydrophobicContact CG1-CD1 4.4Å; V898-L901 HydrophobicContact CG2-CD1 4.5Å; V898-L901 PolarHBondContact O-N 3.42Å |
| 899 | G | 51.3 | Low | 54.1 | Low | 2 Ų | 2 | 38.7 Ų | 38.7 | 2% | 0.021 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -66.9 | -29.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | G806 R807 V896 A897 | G806-G899 CarbonylContact C-O 3.55Å; G806-G899 VanDerWaalsContact C-O 3.26Å; G806-G899 WeakPolarHBondContact CA-O 3.5Å; R807-G899 PolarHBondContact N-O 3.42Å; V896-G899 PolarHBondContact O-N 2.51Å; A897-G899 PolarHBondContact O-N 3.2Å |
| 900 | F | 55.1 | Low | 54.7 | Low | 9 Ų | 9 | 39.6 Ų | 39.6 | 4% | 0.039 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -99.2 | -0.1 | 179.4 | -73.1 | -83.4 | 0 | 0 | 0 | 113.7 | V802 F839 L842 V862 F865 V896 A897 V898 P902 V903 A904 | V802-F900 HydrophobicContact CG1-CE2 4.03Å; F839-F900 AromaticContact CE1-CE1 3.66Å; F839-F900 HydrophobicContact CE1-CE1 3.66Å; F839-F900 HydrophobicContact CE1-CZ 4.31Å; F839-F900 HydrophobicContact CZ-CE1 4.09Å; L842-F900 HydrophobicContact CD2-CZ 4.35Å; V862-F900 HydrophobicContact CG2-CE2 4.02Å; V862-F900 HydrophobicContact CG2-CZ 4.33Å; F865-F900 HydrophobicContact CD1-CD1 4.41Å; F865-F900 HydrophobicContact CE1-CD1 4.38Å; V896-F900 HydrophobicContact CG1-CD2 4.03Å; V896-F900 HydrophobicContact CG1-CE2 4.19Å; A897-F900 CarbonylContact O-C 3.59Å; A897-F900 PolarHBondContact O-N 3.47Å; V898-F900 VanDerWaalsContact C-N 3.28Å; V898-F900 PolarHBondContact O-N 2.88Å; F900-P902 VanDerWaalsContact C-CD 3.41Å; F900-P902 VanDerWaalsContact C-N 3.29Å; F900-V903 HydrophobicContact CD1-CB 4.47Å; F900-V903 HydrophobicContact CD1-CG2 4.09Å; F900-V903 WeakPolarHBondContact O-CA 3.38Å; F900-V903 WeakPolarHBondContact O-CB 3.36Å; F900-V903 PolarHBondContact O-N 2.67Å; F900-A904 PolarHBondContact O-N 3.2Å |
| 901 | L | 59.6 | Low | 55.3 | Low | 25 Ų | 25 | 39.7 Ų | 39.7 | 13% | 0.131 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -52.6 | -40 | 176 | -82.1 | 174.3 | 0 | 0 | 0 | 112.9 | A897 V898 V903 A904 D905 P952 L955 | A897-L901 WeakPolarHBondContact O-CG 3.4Å; A897-L901 PolarHBondContact O-N 3.49Å; V898-L901 HydrophobicContact CB-CD1 4.44Å; V898-L901 HydrophobicContact CG1-CD1 4.4Å; V898-L901 HydrophobicContact CG2-CD1 4.5Å; V898-L901 PolarHBondContact O-N 3.42Å; L901-V903 VanDerWaalsContact C-N 3.34Å; L901-V903 PolarHBondContact O-N 2.75Å; L901-A904 PolarHBondContact O-N 3.47Å; L901-D905 VanDerWaalsContact O-CB 3.26Å; L901-D905 WeakPolarHBondContact O-CB 3.38Å; L901-D905 PolarHBondContact O-N 3.17Å; L901-P952 HydrophobicContact CD2-CB 4.36Å; L901-L955 HydrophobicContact CD2-CD1 3.49Å; L901-L955 VanDerWaalsContact CD2-CD1 3.49Å; L901-L955 HydrophobicContact CD2-CG 3.8Å |
| 902 | P | 57.1 | Low | 56.3 | Low | 45 Ų | 45 | 34.6 Ų | 34.6 | 29% | 0.292 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -64.5 | -37.2 | 176 | -22.7 | 34.9 | 0 | 0 | 0 | 112.9 | R807 F900 H906 | R807-P902 HydrophobicContact CG-CG 4.48Å; F900-P902 VanDerWaalsContact C-CD 3.41Å; F900-P902 VanDerWaalsContact C-N 3.29Å; P902-H906 WeakPolarHBondContact O-CB 3.43Å; P902-H906 PolarHBondContact O-N 3.35Å |
| 903 | V | 55.1 | Low | 56.9 | Low | 2 Ų | 2 | 33.8 Ų | 33.8 | 1% | 0.012 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -65.9 | -48.5 | 174.7 | 179.6 | 0 | 0 | 0 | 0 | 110 | G806 T809 G810 L813 F865 F900 L901 D905 H906 L907 | G806-V903 WeakPolarHBondContact O-CG2 3.45Å; T809-V903 HydrophobicContact CG2-CG2 4.33Å; G810-V903 VanDerWaalsContact CA-CG2 3.45Å; L813-V903 HydrophobicContact CD1-CB 4.25Å; L813-V903 HydrophobicContact CD1-CG1 3.58Å; L813-V903 HydrophobicContact CD1-CG2 4.08Å; F865-V903 HydrophobicContact CE1-CG1 3.79Å; F865-V903 HydrophobicContact CZ-CB 4.32Å; F865-V903 HydrophobicContact CZ-CG1 3.51Å; F900-V903 HydrophobicContact CD1-CB 4.47Å; F900-V903 HydrophobicContact CD1-CG2 4.09Å; F900-V903 WeakPolarHBondContact O-CA 3.38Å; F900-V903 WeakPolarHBondContact O-CB 3.36Å; F900-V903 PolarHBondContact O-N 2.67Å; L901-V903 VanDerWaalsContact C-N 3.34Å; L901-V903 PolarHBondContact O-N 2.75Å; V903-D905 VanDerWaalsContact C-N 3.34Å; V903-D905 PolarHBondContact O-N 2.53Å; V903-H906 PolarHBondContact O-N 3.17Å; V903-L907 HydrophobicContact CG1-CD1 4.12Å; V903-L907 HydrophobicContact CG1-CG 4.45Å; V903-L907 WeakPolarHBondContact O-CG 3.46Å; V903-L907 PolarHBondContact O-N 2.98Å |
| 904 | A | 60.4 | Low | 57.4 | Low | 10 Ų | 10 | 31.2 Ų | 31.2 | 8% | 0.083 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -61.7 | -42 | 179 | 0 | 0 | 0 | 0 | 0 | 111.7 | F900 L901 L907 L908 M932 L955 | F900-A904 PolarHBondContact O-N 3.2Å; L901-A904 PolarHBondContact O-N 3.47Å; A904-L907 PolarHBondContact O-N 3.3Å; A904-L908 VanDerWaalsContact O-CB 3.28Å; A904-L908 WeakPolarHBondContact O-CB 3.33Å; A904-L908 PolarHBondContact O-N 2.91Å; A904-M932 HydrophobicContact CB-SD 3.83Å; A904-L955 HydrophobicContact CB-CD1 4.39Å; A904-L955 HydrophobicContact CB-CD2 3.94Å |
| 905 | D | 63.8 | Low | 58.1 | Low | 25 Ų | 25 | 32.3 Ų | 32.3 | 13% | 0.134 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -61.6 | -45.3 | 174 | -178.1 | 65.8 | 0 | 0 | 0 | 111.4 | L901 V903 L908 R909 V954 L955 T958 | L901-D905 VanDerWaalsContact O-CB 3.26Å; L901-D905 WeakPolarHBondContact O-CB 3.38Å; L901-D905 PolarHBondContact O-N 3.17Å; V903-D905 VanDerWaalsContact C-N 3.34Å; V903-D905 PolarHBondContact O-N 2.53Å; D905-L908 PolarHBondContact O-N 3.05Å; D905-R909 WeakPolarHBondContact O-CB 3.33Å; D905-R909 PolarHBondContact O-N 3.36Å; D905-V954 HydrophobicContact CB-CG1 3.77Å; D905-L955 HydrophobicContact CB-CD2 4.25Å; D905-T958 WeakPolarHBondContact OD1-CB 3.43Å; D905-T958 PolarHBondContact OD1-OG1 3.15Å |
| 906 | H | 59.4 | Low | 58.9 | Low | 21 Ų | 21 | 32.1 Ų | 32.1 | 10% | 0.097 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -63 | -44.9 | 177.2 | -176.2 | 61.5 | 0 | 0 | 0 | 112.1 | P814 P902 V903 R909 T910 | P814-H906 WeakPolarHBondContact CA-CE1 3.48Å; P814-H906 WeakPolarHBondContact CG-ND1 3.26Å; P902-H906 WeakPolarHBondContact O-CB 3.43Å; P902-H906 PolarHBondContact O-N 3.35Å; V903-H906 PolarHBondContact O-N 3.17Å; H906-R909 PolarHBondContact O-N 3.49Å; H906-T910 PolarHBondContact CE1-OG1 3.26Å; H906-T910 PolarHBondContact NE2-OG1 3.29Å; H906-T910 WeakPolarHBondContact O-CB 3.49Å; H906-T910 PolarHBondContact O-N 3.34Å; H906-T910 PolarHBondContact O-OG1 3.44Å |
| 907 | L | 59.8 | Low | 59.7 | Low | 24 Ų | 24 | 34.3 Ų | 34.3 | 13% | 0.126 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -60 | -46.2 | 175.9 | -73.5 | 172.6 | 0 | 0 | 0 | 111.1 | F865 F869 V903 A904 T910 A911 | F865-L907 HydrophobicContact CZ-CD1 3.93Å; F869-L907 HydrophobicContact CE2-CD2 4.32Å; V903-L907 HydrophobicContact CG1-CD1 4.12Å; V903-L907 HydrophobicContact CG1-CG 4.45Å; V903-L907 WeakPolarHBondContact O-CG 3.46Å; V903-L907 PolarHBondContact O-N 2.98Å; A904-L907 PolarHBondContact O-N 3.3Å; L907-T910 PolarHBondContact O-N 3.39Å; L907-A911 VanDerWaalsContact O-CB 3.29Å; L907-A911 WeakPolarHBondContact O-CB 3.43Å; L907-A911 PolarHBondContact O-N 3.12Å |
| 908 | L | 65.5 | Low | 59.9 | Low | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62.6 | -51.6 | 177.6 | 176.3 | 63.9 | 0 | 0 | 0 | 111.4 | A904 D905 T910 A911 C912 V929 M932 L955 T958 L959 | A904-L908 VanDerWaalsContact O-CB 3.28Å; A904-L908 WeakPolarHBondContact O-CB 3.33Å; A904-L908 PolarHBondContact O-N 2.91Å; D905-L908 PolarHBondContact O-N 3.05Å; L908-T910 VanDerWaalsContact C-N 3.26Å; L908-T910 PolarHBondContact O-N 3.39Å; L908-A911 PolarHBondContact O-N 3.12Å; L908-C912 WeakPolarHBondContact O-CB 3.33Å; L908-C912 PolarHBondContact O-N 3.41Å; L908-C912 PolarHBondContact O-SG 2.8Å; L908-V929 HydrophobicContact CD1-CB 4.41Å; L908-V929 HydrophobicContact CD1-CG1 4.41Å; L908-V929 HydrophobicContact CD1-CG2 4.06Å; L908-M932 HydrophobicContact CB-CB 4.35Å; L908-M932 HydrophobicContact CB-CG 4.34Å; L908-M932 HydrophobicContact CD1-CB 4.11Å; L908-L955 HydrophobicContact CD2-CD2 4.05Å; L908-T958 HydrophobicContact CD2-CG2 3.83Å; L908-T958 HydrophobicContact CG-CG2 3.99Å; L908-L959 HydrophobicContact CD1-CD2 3.75Å; L908-L959 HydrophobicContact CD2-CD2 3.67Å; L908-L959 HydrophobicContact CD2-CG 3.72Å; L908-L959 HydrophobicContact CG-CD2 4.24Å |
| 909 | R | 66.9 | Low | 59.9 | Low | 62 Ų | 62 | 45.8 Ų | 45.8 | 23% | 0.234 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -60.2 | -38.6 | 178.5 | -174.4 | 172.4 | -68.9 | -96 | -3.1 | 111.1 | D905 H906 K913 T958 E961 F962 | D905-R909 WeakPolarHBondContact O-CB 3.33Å; D905-R909 PolarHBondContact O-N 3.36Å; H906-R909 PolarHBondContact O-N 3.49Å; R909-K913 HydrophobicContact CG-CD 4.3Å; R909-K913 VanDerWaalsContact O-CB 3.32Å; R909-K913 WeakPolarHBondContact O-CB 3.45Å; R909-K913 VanDerWaalsContact O-CG 3.24Å; R909-K913 WeakPolarHBondContact O-CG 3.18Å; R909-K913 PolarHBondContact O-N 3.22Å; R909-T958 HydrophobicContact CB-CG2 3.97Å; R909-T958 PolarHBondContact NH2-OG1 3.14Å; R909-E961 IonicContact CZ-OE2 3.77Å; R909-E961 IonicContact NH1-OE2 3.3Å; R909-E961 PolarHBondContact NH1-OE2 3.08Å; R909-E961 IonicContact NH2-OE2 3.53Å; R909-E961 PolarHBondContact NH2-OE2 3.11Å; R909-F962 HydrophobicContact CG-CE2 3.91Å; R909-F962 HydrophobicContact CG-CZ 4.13Å |
| 910 | T | 59.6 | Low | 59.8 | Low | 41 Ų | 41 | 50 Ų | 50 | 25% | 0.252 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -69.3 | -42.9 | 176.7 | -60.3 | 0 | 0 | 0 | 0 | 111.5 | H906 L907 L908 K913 A914 | H906-T910 PolarHBondContact CE1-OG1 3.26Å; H906-T910 PolarHBondContact NE2-OG1 3.29Å; H906-T910 WeakPolarHBondContact O-CB 3.49Å; H906-T910 PolarHBondContact O-N 3.34Å; H906-T910 PolarHBondContact O-OG1 3.44Å; L907-T910 PolarHBondContact O-N 3.39Å; L908-T910 VanDerWaalsContact C-N 3.26Å; L908-T910 PolarHBondContact O-N 3.39Å; T910-K913 PolarHBondContact O-N 3.4Å; T910-A914 WeakPolarHBondContact O-CB 3.4Å; T910-A914 PolarHBondContact O-N 2.94Å |
| 911 | A | 61.8 | Low | 59.8 | Low | 8 Ų | 8 | 56.2 Ų | 56.2 | 7% | 0.066 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62 | -46.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | L907 L908 A914 M915 C925 T928 V929 | L907-A911 VanDerWaalsContact O-CB 3.29Å; L907-A911 WeakPolarHBondContact O-CB 3.43Å; L907-A911 PolarHBondContact O-N 3.12Å; L908-A911 PolarHBondContact O-N 3.12Å; A911-A914 PolarHBondContact O-N 2.75Å; A911-M915 WeakPolarHBondContact O-CG 3.33Å; A911-M915 PolarHBondContact O-N 3.29Å; A911-C925 HydrophobicContact CB-CB 4.36Å; A911-T928 HydrophobicContact CB-CG2 4.06Å; A911-V929 HydrophobicContact CB-CG2 4.12Å |
| 912 | C | 67.7 | Low | 59.9 | Low | 5 Ų | 5 | 62.5 Ų | 62.5 | 3% | 0.034 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -59.4 | -47.9 | 175.1 | -69.6 | 0 | 0 | 0 | 0 | 111.6 | L908 M915 M916 F962 | L908-C912 WeakPolarHBondContact O-CB 3.33Å; L908-C912 PolarHBondContact O-N 3.41Å; L908-C912 PolarHBondContact O-SG 2.8Å; C912-M915 WeakPolarHBondContact O-CB 3.42Å; C912-M915 PolarHBondContact O-N 3.27Å; C912-M916 WeakPolarHBondContact O-CG 3.37Å; C912-M916 PolarHBondContact O-N 3.09Å; C912-F962 HydrophobicContact CB-CB 4.21Å; C912-F962 HydrophobicContact CB-CD1 3.89Å; C912-F962 HydrophobicContact CB-CD2 4.02Å; C912-F962 HydrophobicContact CB-CE1 4.29Å; C912-F962 HydrophobicContact CB-CE2 4.44Å; C912-F962 HydrophobicContact CB-CG 3.77Å |
| 913 | K | 63.8 | Low | 60 | Low | 117 Ų | 117 | 67.6 Ų | 67.6 | 51% | 0.509 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -64.3 | -39 | 176 | -75.4 | 177.7 | 177.8 | -175.7 | 0 | 112.5 | R909 T910 M915 M916 A917 F962 | R909-K913 HydrophobicContact CG-CD 4.3Å; R909-K913 VanDerWaalsContact O-CB 3.32Å; R909-K913 WeakPolarHBondContact O-CB 3.45Å; R909-K913 VanDerWaalsContact O-CG 3.24Å; R909-K913 WeakPolarHBondContact O-CG 3.18Å; R909-K913 PolarHBondContact O-N 3.22Å; T910-K913 PolarHBondContact O-N 3.4Å; K913-M915 VanDerWaalsContact C-N 3.35Å; K913-M916 VanDerWaalsContact O-CB 3.31Å; K913-M916 WeakPolarHBondContact O-CB 3.34Å; K913-M916 PolarHBondContact O-N 2.94Å; K913-M916 VanDerWaalsContact O-N 3.12Å; K913-A917 PolarHBondContact O-N 3.09Å; K913-A917 VanDerWaalsContact O-N 3.15Å; K913-F962 HydrophobicContact CG-CE1 4.34Å; K913-F962 HydrophobicContact CG-CZ 4.23Å |
| 914 | A | 60.6 | Low | 60.1 | Low | 17 Ų | 17 | 69.3 Ų | 69.3 | 14% | 0.14 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -66 | -38.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | T910 A911 M916 A917 K918 | T910-A914 WeakPolarHBondContact O-CB 3.4Å; T910-A914 PolarHBondContact O-N 2.94Å; A911-A914 PolarHBondContact O-N 2.75Å; A914-M916 VanDerWaalsContact C-N 3.28Å; A914-M916 PolarHBondContact O-N 3.4Å; A914-A917 PolarHBondContact O-N 2.92Å; A914-K918 PolarHBondContact O-N 2.99Å |
| 915 | M | 63.2 | Low | 60.1 | Low | 33 Ų | 33 | 69.2 Ų | 69.2 | 16% | 0.163 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -58.9 | -37.6 | 169.8 | -77.5 | 177.8 | 55 | 0 | 0 | 112.1 | A911 C912 K913 C925 V929 L966 | A911-M915 WeakPolarHBondContact O-CG 3.33Å; A911-M915 PolarHBondContact O-N 3.29Å; C912-M915 WeakPolarHBondContact O-CB 3.42Å; C912-M915 PolarHBondContact O-N 3.27Å; K913-M915 VanDerWaalsContact C-N 3.35Å; M915-C925 HydrophobicContact CG-CB 3.55Å; M915-C925 HydrophobicContact SD-CB 4.14Å; M915-V929 HydrophobicContact SD-CG2 4.17Å; M915-L966 HydrophobicContact CE-CD2 4.25Å |
| 916 | M | 63.8 | Low | 60.3 | Low | 116 Ų | 116 | 69.3 Ų | 69.3 | 57% | 0.571 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -64.4 | -38.7 | 175 | -61.6 | -178.4 | 78.9 | 0 | 0 | 112.4 | C912 K913 A914 K918 F962 L965 | C912-M916 WeakPolarHBondContact O-CG 3.37Å; C912-M916 PolarHBondContact O-N 3.09Å; K913-M916 VanDerWaalsContact O-CB 3.31Å; K913-M916 WeakPolarHBondContact O-CB 3.34Å; K913-M916 PolarHBondContact O-N 2.94Å; K913-M916 VanDerWaalsContact O-N 3.12Å; A914-M916 VanDerWaalsContact C-N 3.28Å; A914-M916 PolarHBondContact O-N 3.4Å; M916-K918 VanDerWaalsContact C-N 3.26Å; M916-K918 PolarHBondContact O-N 3.09Å; M916-F962 HydrophobicContact SD-CE1 4.26Å; M916-L965 HydrophobicContact CE-CD1 3.76Å; M916-L965 HydrophobicContact CG-CD1 3.93Å; M916-L965 HydrophobicContact SD-CD1 3.74Å |
| 917 | A | 62 | Low | 60.5 | Low | 54 Ų | 54 | 71.8 Ų | 71.8 | 45% | 0.446 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -76 | -7.8 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | K913 A914 K919 | K913-A917 PolarHBondContact O-N 3.09Å; K913-A917 VanDerWaalsContact O-N 3.15Å; A914-A917 PolarHBondContact O-N 2.92Å; A917-K919 HydrophobicContact CB-CB 4.24Å; A917-K919 HydrophobicContact CB-CD 4.13Å; A917-K919 HydrophobicContact CB-CG 3.98Å; A917-K919 WeakPolarHBondContact O-CG 3.49Å; A917-K919 PolarHBondContact O-N 2.73Å |
| 918 | K | 52.8 | Low | 60.6 | Low | 196 Ų | 196 | 71 Ų | 71 | 85% | 0.852 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.4 | 19.6 | -171.1 | -64.4 | -176.1 | 177.8 | 178.7 | 0 | 114.4 | A914 M916 | A914-K918 PolarHBondContact O-N 2.99Å; M916-K918 VanDerWaalsContact C-N 3.26Å; M916-K918 PolarHBondContact O-N 3.09Å |
| 919 | K | 49.4 | Very low | 60.8 | Low | 149 Ų | 149 | 71 Ų | 71 | 65% | 0.648 | 34% | 0.335 | S | S | * | . | trans | -89.8 | -14.1 | -171.2 | -76.7 | -175.2 | -179.4 | -175.5 | 0 | 114.9 | A917 | A917-K919 HydrophobicContact CB-CB 4.24Å; A917-K919 HydrophobicContact CB-CD 4.13Å; A917-K919 HydrophobicContact CB-CG 3.98Å; A917-K919 WeakPolarHBondContact O-CG 3.49Å; A917-K919 PolarHBondContact O-N 2.73Å | ||
| 920 | F | 49.5 | Very low | 60.9 | Low | 92 Ų | 92 | 71.1 Ų | 71.1 | 40% | 0.404 | 34% | 0.34 | S | S | . | . | S | Bend | trans | -124 | 162.7 | -170.9 | -99.2 | -91.4 | 0 | 0 | 0 | 112.5 | R821 R922 | R821-F920 VanDerWaalsContact NH1-CE2 3.33Å; F920-R922 PolarHBondContact O-N 2.7Å |
| 921 | E | 55.2 | Low | 61.2 | Low | 139 Ų | 139 | 69.4 Ų | 69.4 | 65% | 0.65 | 33% | 0.329 | S | S | * | . | trans | -53.3 | 103.5 | 166.5 | -76.3 | -176.1 | 171 | 0 | 0 | 109.1 | Q923 L924 C925 | E921-Q923 PolarHBondContact O-N 3.09Å; E921-L924 HydrophobicContact CB-CB 4.31Å; E921-L924 PolarHBondContact O-N 3.16Å; E921-C925 PolarHBondContact O-N 2.99Å | ||
| 922 | R | 60.8 | Low | 61.7 | Low | 157 Ų | 157 | 69.2 Ų | 69.2 | 59% | 0.592 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -54.8 | -28.2 | -178.1 | -151.9 | 175.1 | -172.7 | 178.1 | -1.4 | 111.1 | F920 Q926 | F920-R922 PolarHBondContact O-N 2.7Å; R922-Q926 WeakPolarHBondContact O-CB 3.25Å; R922-Q926 PolarHBondContact O-N 3.34Å |
| 923 | Q | 59.3 | Low | 61.9 | Low | 152 Ų | 152 | 69 Ų | 69 | 71% | 0.71 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -63.7 | -52.5 | 174 | -77.3 | 178.4 | -26.5 | 0 | 0 | 112.8 | E921 C925 Q926 Q927 | E921-Q923 PolarHBondContact O-N 3.09Å; Q923-C925 PolarHBondContact O-N 3.44Å; Q923-Q926 CarbonylContact O-C 3.43Å; Q923-Q926 PolarHBondContact O-N 2.87Å; Q923-Q927 WeakPolarHBondContact O-CB 3.47Å; Q923-Q927 WeakPolarHBondContact O-CG 3.45Å; Q923-Q927 PolarHBondContact O-N 3.22Å |
| 924 | L | 56 | Low | 62.2 | Low | 37 Ų | 37 | 65 Ų | 65 | 19% | 0.194 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -61.9 | -46.5 | -179.8 | -167.1 | 94.6 | 0 | 0 | 0 | 111.5 | E921 Q926 Q927 T928 | E921-L924 HydrophobicContact CB-CB 4.31Å; E921-L924 PolarHBondContact O-N 3.16Å; L924-Q926 VanDerWaalsContact C-N 3.31Å; L924-Q926 PolarHBondContact O-N 3.07Å; L924-Q927 WeakPolarHBondContact O-CB 3.46Å; L924-Q927 PolarHBondContact O-N 3.42Å; L924-T928 PolarHBondContact O-N 3.36Å; L924-T928 PolarHBondContact O-OG1 3.18Å |
| 925 | C | 61.1 | Low | 62.6 | Low | 8 Ų | 8 | 65.1 Ų | 65.1 | 5% | 0.054 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -62.6 | -40.6 | 176.9 | -62.5 | 0 | 0 | 0 | 0 | 111.7 | A911 M915 E921 Q923 T928 V929 | A911-C925 HydrophobicContact CB-CB 4.36Å; M915-C925 HydrophobicContact CG-CB 3.55Å; M915-C925 HydrophobicContact SD-CB 4.14Å; E921-C925 PolarHBondContact O-N 2.99Å; Q923-C925 PolarHBondContact O-N 3.44Å; C925-T928 PolarHBondContact O-N 3.44Å; C925-V929 VanDerWaalsContact O-CG2 3.3Å; C925-V929 WeakPolarHBondContact O-CG2 3.41Å; C925-V929 PolarHBondContact O-N 2.98Å |
| 926 | Q | 68.2 | Low | 63.2 | Low | 27 Ų | 27 | 63.6 Ų | 63.6 | 13% | 0.126 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -65.3 | -39 | 176.2 | -172 | 67.1 | 51.6 | 0 | 0 | 111.6 | R922 Q923 L924 V929 N930 | R922-Q926 WeakPolarHBondContact O-CB 3.25Å; R922-Q926 PolarHBondContact O-N 3.34Å; Q923-Q926 CarbonylContact O-C 3.43Å; Q923-Q926 PolarHBondContact O-N 2.87Å; L924-Q926 VanDerWaalsContact C-N 3.31Å; L924-Q926 PolarHBondContact O-N 3.07Å; Q926-V929 PolarHBondContact O-N 2.85Å; Q926-N930 PolarHBondContact NE2-OD1 3.4Å; Q926-N930 VanDerWaalsContact O-CB 3.29Å; Q926-N930 WeakPolarHBondContact O-CB 3.49Å; Q926-N930 PolarHBondContact O-N 3.28Å; Q926-N930 PolarHBondContact O-ND2 3.32Å; Q926-N930 PolarHBondContact O-OD1 2.85Å |
| 927 | Q | 63.3 | Low | 63.8 | Low | 74 Ų | 74 | 59 Ų | 59 | 35% | 0.346 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -62.4 | -46.6 | 173.8 | -76 | 169.3 | -24 | 0 | 0 | 111.1 | Q923 L924 V929 N930 M931 | Q923-Q927 WeakPolarHBondContact O-CB 3.47Å; Q923-Q927 WeakPolarHBondContact O-CG 3.45Å; Q923-Q927 PolarHBondContact O-N 3.22Å; L924-Q927 WeakPolarHBondContact O-CB 3.46Å; L924-Q927 PolarHBondContact O-N 3.42Å; Q927-V929 VanDerWaalsContact C-N 3.34Å; Q927-V929 PolarHBondContact O-N 3.46Å; Q927-N930 PolarHBondContact O-N 2.93Å; Q927-M931 VanDerWaalsContact O-CB 3.26Å; Q927-M931 WeakPolarHBondContact O-CB 3.42Å; Q927-M931 PolarHBondContact O-N 3.37Å |
| 928 | T | 62.8 | Low | 64.3 | Low | 8 Ų | 8 | 57 Ų | 57 | 5% | 0.049 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -59.7 | -44.9 | 175.6 | -57.9 | 0 | 0 | 0 | 0 | 111.3 | Q872 A911 L924 C925 M931 M932 | Q872-T928 PolarHBondContact NE2-OG1 2.9Å; A911-T928 HydrophobicContact CB-CG2 4.06Å; L924-T928 PolarHBondContact O-N 3.36Å; L924-T928 PolarHBondContact O-OG1 3.18Å; C925-T928 PolarHBondContact O-N 3.44Å; T928-M931 PolarHBondContact O-N 3.12Å; T928-M932 HydrophobicContact CG2-CG 4.31Å; T928-M932 WeakPolarHBondContact O-CB 3.43Å; T928-M932 VanDerWaalsContact O-CG 3.28Å; T928-M932 WeakPolarHBondContact O-CG 3.31Å; T928-M932 PolarHBondContact O-N 3.45Å |
| 929 | V | 69.9 | Low | 65.3 | Low | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -60.8 | -48.8 | 174.9 | 170.9 | 0 | 0 | 0 | 0 | 110.6 | L908 A911 M915 C925 Q926 Q927 M931 M932 T933 L966 V973 | L908-V929 HydrophobicContact CD1-CB 4.41Å; L908-V929 HydrophobicContact CD1-CG1 4.41Å; L908-V929 HydrophobicContact CD1-CG2 4.06Å; A911-V929 HydrophobicContact CB-CG2 4.12Å; M915-V929 HydrophobicContact SD-CG2 4.17Å; C925-V929 VanDerWaalsContact O-CG2 3.3Å; C925-V929 WeakPolarHBondContact O-CG2 3.41Å; C925-V929 PolarHBondContact O-N 2.98Å; Q926-V929 PolarHBondContact O-N 2.85Å; Q927-V929 VanDerWaalsContact C-N 3.34Å; Q927-V929 PolarHBondContact O-N 3.46Å; V929-M931 VanDerWaalsContact C-N 3.31Å; V929-M931 PolarHBondContact O-N 3.4Å; V929-M932 PolarHBondContact O-N 3.19Å; V929-T933 VanDerWaalsContact O-CB 3.22Å; V929-T933 WeakPolarHBondContact O-CB 3.43Å; V929-T933 PolarHBondContact O-N 3.31Å; V929-T933 PolarHBondContact O-OG1 3.23Å; V929-L966 HydrophobicContact CG1-CD1 4.23Å; V929-L966 HydrophobicContact CG1-CD2 3.87Å; V929-L966 HydrophobicContact CG2-CD2 4.41Å; V929-V973 HydrophobicContact CG1-CG2 4.22Å |
| 930 | N | 68.7 | Low | 66.8 | Low | 64 Ų | 64 | 41 Ų | 41 | 34% | 0.342 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -60.2 | -42 | -179.5 | -70.9 | -10.5 | 0 | 0 | 0 | 111.7 | Q926 Q927 T933 S934 | Q926-N930 PolarHBondContact NE2-OD1 3.4Å; Q926-N930 VanDerWaalsContact O-CB 3.29Å; Q926-N930 WeakPolarHBondContact O-CB 3.49Å; Q926-N930 PolarHBondContact O-N 3.28Å; Q926-N930 PolarHBondContact O-ND2 3.32Å; Q926-N930 PolarHBondContact O-OD1 2.85Å; Q927-N930 PolarHBondContact O-N 2.93Å; N930-T933 WeakPolarHBondContact O-CB 3.17Å; N930-T933 PolarHBondContact O-N 3.28Å; N930-S934 PolarHBondContact O-N 3.01Å |
| 931 | M | 65.9 | Low | 68.2 | Low | 4 Ų | 4 | 41.4 Ų | 41.4 | 2% | 0.02 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -68.4 | -50.5 | 178.9 | -177.4 | -165.8 | -163.8 | 0 | 0 | 111.9 | F868 L883 M886 Q927 T928 V929 T933 S934 V935 | F868-M931 HydrophobicContact CD1-CE 4.19Å; F868-M931 HydrophobicContact CD1-SD 4.24Å; F868-M931 HydrophobicContact CD2-CE 3.69Å; F868-M931 HydrophobicContact CD2-SD 4.05Å; F868-M931 HydrophobicContact CE1-CE 4.13Å; F868-M931 HydrophobicContact CE1-SD 3.58Å; F868-M931 VanDerWaalsContact CE1-SD 3.58Å; F868-M931 HydrophobicContact CE2-CE 3.64Å; F868-M931 HydrophobicContact CE2-SD 3.38Å; F868-M931 WeakPolarHBondContact CE2-SD 3.17Å; F868-M931 HydrophobicContact CG-CE 3.97Å; F868-M931 HydrophobicContact CG-SD 4.44Å; F868-M931 HydrophobicContact CZ-CE 3.86Å; F868-M931 HydrophobicContact CZ-SD 3.1Å; F868-M931 WeakPolarHBondContact CZ-SD 2.98Å; L883-M931 HydrophobicContact CD2-CB 4.02Å; L883-M931 HydrophobicContact CD2-CE 4.25Å; L883-M931 HydrophobicContact CD2-CG 3.87Å; L883-M931 HydrophobicContact CD2-SD 4Å; M886-M931 HydrophobicContact CB-CE 3.11Å; M886-M931 HydrophobicContact CE-CE 3.61Å; M886-M931 HydrophobicContact CG-CE 3.26Å; M886-M931 HydrophobicContact SD-CE 3.44Å; M886-M931 WeakPolarHBondContact SD-CE 3.29Å; Q927-M931 VanDerWaalsContact O-CB 3.26Å; Q927-M931 WeakPolarHBondContact O-CB 3.42Å; Q927-M931 PolarHBondContact O-N 3.37Å; T928-M931 PolarHBondContact O-N 3.12Å; V929-M931 VanDerWaalsContact C-N 3.31Å; V929-M931 PolarHBondContact O-N 3.4Å; M931-T933 PolarHBondContact O-N 3Å; M931-S934 CarbonylContact O-C 3.42Å; M931-S934 WeakPolarHBondContact O-CA 3.33Å; M931-S934 VanDerWaalsContact O-CB 3.29Å; M931-S934 WeakPolarHBondContact O-CB 3.4Å; M931-S934 PolarHBondContact O-N 2.92Å; M931-V935 WeakPolarHBondContact O-CG2 3.41Å; M931-V935 PolarHBondContact O-N 3.44Å |
| 932 | M | 70.9 | Confident | 69.2 | Low | 4 Ų | 4 | 35.1 Ų | 35.1 | 2% | 0.02 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -62.3 | -31.2 | 177 | -67.9 | -59.8 | 124.3 | 0 | 0 | 111.1 | A904 L908 T928 V929 A936 | A904-M932 HydrophobicContact CB-SD 3.83Å; L908-M932 HydrophobicContact CB-CB 4.35Å; L908-M932 HydrophobicContact CB-CG 4.34Å; L908-M932 HydrophobicContact CD1-CB 4.11Å; T928-M932 HydrophobicContact CG2-CG 4.31Å; T928-M932 WeakPolarHBondContact O-CB 3.43Å; T928-M932 VanDerWaalsContact O-CG 3.28Å; T928-M932 WeakPolarHBondContact O-CG 3.31Å; T928-M932 PolarHBondContact O-N 3.45Å; V929-M932 PolarHBondContact O-N 3.19Å; M932-A936 VanDerWaalsContact O-CB 3.25Å; M932-A936 WeakPolarHBondContact O-CB 3.14Å; M932-A936 PolarHBondContact O-N 2.95Å |
| 933 | T | 73.3 | Confident | 70 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -67.3 | -41.2 | 169.9 | -55.1 | 0 | 0 | 0 | 0 | 111.6 | V929 N930 M931 A936 T937 L959 V973 L976 | V929-T933 VanDerWaalsContact O-CB 3.22Å; V929-T933 WeakPolarHBondContact O-CB 3.43Å; V929-T933 PolarHBondContact O-N 3.31Å; V929-T933 PolarHBondContact O-OG1 3.23Å; N930-T933 WeakPolarHBondContact O-CB 3.17Å; N930-T933 PolarHBondContact O-N 3.28Å; M931-T933 PolarHBondContact O-N 3Å; T933-A936 PolarHBondContact O-N 3.11Å; T933-T937 VanDerWaalsContact O-CB 3.26Å; T933-T937 WeakPolarHBondContact O-CB 3.28Å; T933-T937 PolarHBondContact O-N 3.3Å; T933-T937 PolarHBondContact O-OG1 3.47Å; T933-L959 HydrophobicContact CG2-CD1 4.38Å; T933-V973 HydrophobicContact CG2-CB 4.36Å; T933-V973 HydrophobicContact CG2-CG2 3.76Å; T933-V973 WeakPolarHBondContact OG1-CG2 3.32Å; T933-L976 HydrophobicContact CG2-CB 4.44Å; T933-L976 HydrophobicContact CG2-CD2 4.2Å |
| 934 | S | 69.2 | Low | 70.9 | Confident | 35 Ų | 35 | 23.3 Ų | 23.3 | 25% | 0.245 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -61.7 | -45.7 | 174.4 | -168.7 | 0 | 0 | 0 | 0 | 111.1 | E887 N930 M931 T937 E938 | E887-S934 PolarHBondContact OE1-OG 3.36Å; N930-S934 PolarHBondContact O-N 3.01Å; M931-S934 CarbonylContact O-C 3.42Å; M931-S934 WeakPolarHBondContact O-CA 3.33Å; M931-S934 VanDerWaalsContact O-CB 3.29Å; M931-S934 WeakPolarHBondContact O-CB 3.4Å; M931-S934 PolarHBondContact O-N 2.92Å; S934-T937 WeakPolarHBondContact O-CB 3.42Å; S934-T937 PolarHBondContact O-N 3.3Å; S934-E938 PolarHBondContact O-N 3.37Å |
| 935 | V | 69.5 | Low | 72 | Confident | 19 Ų | 19 | 29 Ų | 29 | 12% | 0.115 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -60.3 | -49.6 | 174.7 | 174.8 | 0 | 0 | 0 | 0 | 110.8 | A890 M931 T937 E938 L939 | A890-V935 HydrophobicContact CB-CB 4.4Å; A890-V935 HydrophobicContact CB-CG1 4.38Å; A890-V935 HydrophobicContact CB-CG2 4.19Å; M931-V935 WeakPolarHBondContact O-CG2 3.41Å; M931-V935 PolarHBondContact O-N 3.44Å; V935-T937 VanDerWaalsContact C-N 3.28Å; V935-T937 PolarHBondContact O-N 2.86Å; V935-E938 PolarHBondContact O-N 2.91Å; V935-L939 HydrophobicContact CG1-CD1 3.89Å; V935-L939 HydrophobicContact CG1-CG 4.41Å; V935-L939 WeakPolarHBondContact O-CB 3.22Å; V935-L939 WeakPolarHBondContact O-CG 3.49Å; V935-L939 PolarHBondContact O-N 3.36Å |
| 936 | A | 75.7 | Confident | 72.5 | Confident | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -60.3 | -40.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | M932 T933 W940 P952 L955 L959 L976 | M932-A936 VanDerWaalsContact O-CB 3.25Å; M932-A936 WeakPolarHBondContact O-CB 3.14Å; M932-A936 PolarHBondContact O-N 2.95Å; T933-A936 PolarHBondContact O-N 3.11Å; A936-W940 WeakPolarHBondContact O-CB 3.5Å; A936-W940 PolarHBondContact O-N 2.93Å; A936-P952 HydrophobicContact CB-CG 4.34Å; A936-P952 WeakPolarHBondContact O-CG 3.44Å; A936-L955 HydrophobicContact CB-CB 4.29Å; A936-L955 HydrophobicContact CB-CD1 4.38Å; A936-L959 HydrophobicContact CB-CD1 4.41Å; A936-L976 HydrophobicContact CB-CD2 3.68Å |
| 937 | T | 77.2 | Confident | 72.3 | Confident | 19 Ų | 19 | 37.1 Ų | 37.1 | 12% | 0.117 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -65.4 | -41.6 | 178 | -57.9 | 0 | 0 | 0 | 0 | 112 | T933 S934 V935 W940 R941 L976 | T933-T937 VanDerWaalsContact O-CB 3.26Å; T933-T937 WeakPolarHBondContact O-CB 3.28Å; T933-T937 PolarHBondContact O-N 3.3Å; T933-T937 PolarHBondContact O-OG1 3.47Å; S934-T937 WeakPolarHBondContact O-CB 3.42Å; S934-T937 PolarHBondContact O-N 3.3Å; V935-T937 VanDerWaalsContact C-N 3.28Å; V935-T937 PolarHBondContact O-N 2.86Å; T937-W940 WeakPolarHBondContact O-CB 3.15Å; T937-W940 PolarHBondContact O-N 3.13Å; T937-R941 WeakPolarHBondContact O-CG 3.19Å; T937-R941 PolarHBondContact O-N 3.18Å; T937-L976 HydrophobicContact CG2-CD1 4.46Å |
| 938 | E | 72 | Confident | 72.3 | Confident | 13 Ų | 13 | 34.7 Ų | 34.7 | 6% | 0.061 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -75 | -40 | 179.8 | -173.5 | 59 | -152.6 | 0 | 0 | 112 | A890 K891 S934 V935 W940 R941 Q942 R945 | A890-E938 HydrophobicContact CB-CB 3.95Å; A890-E938 HydrophobicContact CB-CG 4.18Å; A890-E938 WeakPolarHBondContact O-CG 3.38Å; K891-E938 HydrophobicContact CB-CG 4.25Å; K891-E938 HydrophobicContact CG-CG 3.73Å; S934-E938 PolarHBondContact O-N 3.37Å; V935-E938 PolarHBondContact O-N 2.91Å; E938-W940 PolarHBondContact O-N 3.12Å; E938-R941 PolarHBondContact O-N 2.89Å; E938-R941 IonicContact OE2-NH1 3.15Å; E938-Q942 WeakPolarHBondContact O-CG 3.35Å; E938-Q942 PolarHBondContact O-N 3.07Å; E938-R945 IonicContact OE1-NH1 3.93Å |
| 939 | L | 73.1 | Confident | 72.3 | Confident | 10 Ų | 10 | 41.3 Ų | 41.3 | 5% | 0.052 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -60.1 | -37.9 | 171 | -70.8 | 173.9 | 0 | 0 | 0 | 111.2 | A894 A897 V935 Q942 W943 P952 | A894-L939 HydrophobicContact CB-CD2 3.87Å; A897-L939 HydrophobicContact CB-CD1 3.82Å; A897-L939 HydrophobicContact CB-CD2 3.96Å; A897-L939 HydrophobicContact CB-CG 4.48Å; V935-L939 HydrophobicContact CG1-CD1 3.89Å; V935-L939 HydrophobicContact CG1-CG 4.41Å; V935-L939 WeakPolarHBondContact O-CB 3.22Å; V935-L939 WeakPolarHBondContact O-CG 3.49Å; V935-L939 PolarHBondContact O-N 3.36Å; L939-Q942 PolarHBondContact O-N 3.36Å; L939-W943 PolarHBondContact O-N 3.36Å; L939-P952 HydrophobicContact CB-CB 4.12Å; L939-P952 HydrophobicContact CB-CG 3.81Å; L939-P952 HydrophobicContact CD1-CB 4.01Å |
| 940 | W | 80.7 | Confident | 72 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -60.2 | -51.8 | 171.7 | -170.7 | -87.5 | 0 | 0 | 0 | 111.7 | A936 T937 E938 Q942 W943 E944 P951 V956 L976 V980 N983 L987 | A936-W940 WeakPolarHBondContact O-CB 3.5Å; A936-W940 PolarHBondContact O-N 2.93Å; T937-W940 WeakPolarHBondContact O-CB 3.15Å; T937-W940 PolarHBondContact O-N 3.13Å; E938-W940 PolarHBondContact O-N 3.12Å; W940-Q942 VanDerWaalsContact C-N 3.28Å; W940-Q942 PolarHBondContact O-N 2.89Å; W940-W943 HydrophobicContact CD2-CE3 4.43Å; W940-W943 AromaticContact CE2-CZ3 3.97Å; W940-W943 HydrophobicContact CH2-CZ3 4.15Å; W940-W943 HydrophobicContact CZ2-CE3 4.23Å; W940-W943 AromaticContact CZ2-CZ3 3.68Å; W940-W943 HydrophobicContact CZ2-CZ3 3.68Å; W940-W943 WeakPolarHBondContact O-CB 3.34Å; W940-W943 PolarHBondContact O-N 3.03Å; W940-W943 VanDerWaalsContact O-N 3.13Å; W940-E944 PolarHBondContact NE1-OE1 3.24Å; W940-E944 WeakPolarHBondContact O-CG 3.44Å; W940-E944 PolarHBondContact O-N 2.91Å; W940-P951 HydrophobicContact CE3-CB 3.79Å; W940-P951 HydrophobicContact CH2-CB 4.48Å; W940-P951 HydrophobicContact CZ3-CB 3.67Å; W940-P951 HydrophobicContact CZ3-CG 4.33Å; W940-V956 HydrophobicContact CE3-CG2 4.19Å; W940-V956 HydrophobicContact CZ3-CG2 4.34Å; W940-L976 HydrophobicContact CB-CD1 4Å; W940-L976 HydrophobicContact CD2-CD1 4.47Å; W940-L976 HydrophobicContact CG-CD1 4.03Å; W940-V980 HydrophobicContact CD2-CG2 4.21Å; W940-V980 HydrophobicContact CE3-CG2 3.98Å; W940-V980 HydrophobicContact CH2-CB 4.04Å; W940-V980 HydrophobicContact CH2-CG1 3.94Å; W940-V980 HydrophobicContact CH2-CG2 3.68Å; W940-V980 HydrophobicContact CZ2-CB 4.2Å; W940-V980 HydrophobicContact CZ2-CG2 3.92Å; W940-V980 HydrophobicContact CZ3-CG1 4.43Å; W940-V980 HydrophobicContact CZ3-CG2 3.72Å; W940-N983 HydrophobicContact CZ2-CB 3.8Å; W940-L987 HydrophobicContact CH2-CD1 3.92Å; W940-L987 HydrophobicContact CH2-CD2 3.94Å; W940-L987 HydrophobicContact CH2-CG 4.04Å; W940-L987 HydrophobicContact CZ3-CD2 4.45Å |
| 941 | R | 80.5 | Confident | 72.2 | Confident | 100 Ų | 100 | 40.8 Ų | 40.8 | 38% | 0.377 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -60.9 | -35.1 | 176.5 | -75.3 | 176.3 | -175.1 | 156.7 | 1.8 | 113.2 | T937 E938 E944 R945 | T937-R941 WeakPolarHBondContact O-CG 3.19Å; T937-R941 PolarHBondContact O-N 3.18Å; E938-R941 PolarHBondContact O-N 2.89Å; E938-R941 IonicContact OE2-NH1 3.15Å; R941-E944 WeakPolarHBondContact O-CB 3.37Å; R941-E944 PolarHBondContact O-N 2.55Å; R941-R945 WeakPolarHBondContact O-CB 3.42Å; R941-R945 VanDerWaalsContact O-CG 3.23Å; R941-R945 WeakPolarHBondContact O-CG 3.4Å; R941-R945 PolarHBondContact O-N 3.16Å |
| 942 | Q | 75.1 | Confident | 72.5 | Confident | 6 Ų | 6 | 40.7 Ų | 40.7 | 3% | 0.028 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -69 | -38.3 | 176.3 | -75.7 | -170.2 | 23.8 | 0 | 0 | 111.8 | A890 K891 E938 L939 W940 E944 R945 G946 K947 V948 | A890-Q942 PolarHBondContact O-NE2 3.27Å; K891-Q942 PolarHBondContact O-NE2 3.36Å; E938-Q942 WeakPolarHBondContact O-CG 3.35Å; E938-Q942 PolarHBondContact O-N 3.07Å; L939-Q942 PolarHBondContact O-N 3.36Å; W940-Q942 VanDerWaalsContact C-N 3.28Å; W940-Q942 PolarHBondContact O-N 2.89Å; Q942-E944 VanDerWaalsContact C-N 3.32Å; Q942-R945 CarbonylContact O-C 3.45Å; Q942-R945 PolarHBondContact O-N 3.34Å; Q942-G946 PolarHBondContact O-N 2.8Å; Q942-G946 VanDerWaalsContact O-N 3.09Å; Q942-K947 HydrophobicContact CB-CB 4.18Å; Q942-K947 PolarHBondContact O-N 3.35Å; Q942-V948 HydrophobicContact CB-CG2 3.34Å |
| 943 | W | 77.7 | Confident | 72.6 | Confident | 8 Ų | 8 | 41.1 Ų | 41.1 | 3% | 0.03 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -63.2 | -42.3 | 170.6 | 170.1 | 75.3 | 0 | 0 | 0 | 110.4 | L939 W940 R945 G946 P951 N983 R986 L987 | L939-W943 PolarHBondContact O-N 3.36Å; W940-W943 HydrophobicContact CD2-CE3 4.43Å; W940-W943 AromaticContact CE2-CZ3 3.97Å; W940-W943 HydrophobicContact CH2-CZ3 4.15Å; W940-W943 HydrophobicContact CZ2-CE3 4.23Å; W940-W943 AromaticContact CZ2-CZ3 3.68Å; W940-W943 HydrophobicContact CZ2-CZ3 3.68Å; W940-W943 WeakPolarHBondContact O-CB 3.34Å; W940-W943 PolarHBondContact O-N 3.03Å; W940-W943 VanDerWaalsContact O-N 3.13Å; W943-R945 PolarHBondContact O-N 3.43Å; W943-G946 PolarHBondContact O-N 3.46Å; W943-P951 HydrophobicContact CB-CB 4.35Å; W943-P951 HydrophobicContact CD2-CB 3.95Å; W943-P951 HydrophobicContact CD2-CG 4.18Å; W943-P951 HydrophobicContact CE3-CB 4.23Å; W943-P951 HydrophobicContact CG-CB 3.99Å; W943-P951 HydrophobicContact CG-CG 4.38Å; W943-N983 HydrophobicContact CZ3-CB 4.28Å; W943-R986 HydrophobicContact CH2-CB 3.91Å; W943-R986 HydrophobicContact CH2-CG 3.59Å; W943-R986 HydrophobicContact CZ2-CG 3.88Å; W943-R986 HydrophobicContact CZ3-CG 4.43Å; W943-R986 PolarHBondContact O-NH2 2.88Å; W943-L987 HydrophobicContact CH2-CD2 3.82Å; W943-L987 HydrophobicContact CH2-CG 4.1Å; W943-L987 HydrophobicContact CZ2-CD2 4Å; W943-L987 HydrophobicContact CZ3-CD2 4.46Å |
| 944 | E | 79.2 | Confident | 72.4 | Confident | 53 Ų | 53 | 43.8 Ų | 43.8 | 25% | 0.248 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -59.6 | -33.2 | 174.2 | -71.9 | 178.9 | 159.2 | 0 | 0 | 112.7 | W940 R941 Q942 G946 N983 R986 | W940-E944 PolarHBondContact NE1-OE1 3.24Å; W940-E944 WeakPolarHBondContact O-CG 3.44Å; W940-E944 PolarHBondContact O-N 2.91Å; R941-E944 WeakPolarHBondContact O-CB 3.37Å; R941-E944 PolarHBondContact O-N 2.55Å; Q942-E944 VanDerWaalsContact C-N 3.32Å; E944-G946 VanDerWaalsContact C-N 3.32Å; E944-N983 PolarHBondContact OE1-ND2 2.68Å; E944-R986 VanDerWaalsContact C-NH2 3.34Å; E944-R986 VanDerWaalsContact CA-NH1 3.33Å; E944-R986 PolarHBondContact O-NH1 3.19Å; E944-R986 PolarHBondContact O-NH2 3.46Å |
| 945 | R | 78.8 | Confident | 72.5 | Confident | 157 Ų | 157 | 42.1 Ų | 42.1 | 59% | 0.592 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.8 | 0.2 | 175.4 | -68.6 | 167.6 | 179 | 169 | -1.8 | 113.8 | E938 R941 Q942 W943 K947 | E938-R945 IonicContact OE1-NH1 3.93Å; R941-R945 WeakPolarHBondContact O-CB 3.42Å; R941-R945 VanDerWaalsContact O-CG 3.23Å; R941-R945 WeakPolarHBondContact O-CG 3.4Å; R941-R945 PolarHBondContact O-N 3.16Å; Q942-R945 CarbonylContact O-C 3.45Å; Q942-R945 PolarHBondContact O-N 3.34Å; W943-R945 PolarHBondContact O-N 3.43Å; R945-K947 VanDerWaalsContact C-N 3.26Å; R945-K947 HydrophobicContact CB-CG 4.32Å; R945-K947 PolarHBondContact O-N 3.01Å |
| 946 | G | 71.3 | Confident | 72.9 | Confident | 59 Ų | 59 | 41.2 Ų | 41.2 | 61% | 0.608 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 69.9 | 17.5 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q942 W943 E944 | Q942-G946 PolarHBondContact O-N 2.8Å; Q942-G946 VanDerWaalsContact O-N 3.09Å; W943-G946 PolarHBondContact O-N 3.46Å; E944-G946 VanDerWaalsContact C-N 3.32Å |
| 947 | K | 64.8 | Low | 73 | Confident | 147 Ų | 147 | 43.6 Ų | 43.6 | 64% | 0.639 | 21% | 0.213 | S | C | * | . | S | Bend | trans | -83.3 | -26 | 177.8 | -68.2 | -171.6 | 177.3 | -173.4 | 0 | 113.2 | Q942 R945 | Q942-K947 HydrophobicContact CB-CB 4.18Å; Q942-K947 PolarHBondContact O-N 3.35Å; R945-K947 VanDerWaalsContact C-N 3.26Å; R945-K947 HydrophobicContact CB-CG 4.32Å; R945-K947 PolarHBondContact O-N 3.01Å |
| 948 | V | 62.7 | Low | 72.7 | Confident | 23 Ų | 23 | 42.8 Ų | 42.8 | 14% | 0.139 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -117.3 | 143.9 | 171.1 | -133.4 | 0 | 0 | 0 | 0 | 109.8 | A894 Q942 | A894-V948 HydrophobicContact CB-CB 4.06Å; A894-V948 HydrophobicContact CB-CG1 3.31Å; A894-V948 HydrophobicContact CB-CG2 3.59Å; Q942-V948 HydrophobicContact CB-CG2 3.34Å |
| 949 | Q | 63.1 | Low | 73.1 | Confident | 146 Ų | 146 | 42.1 Ų | 42.1 | 68% | 0.682 | 21% | 0.205 | S | C | * | . | S | Bend | trans | -69.5 | -33.2 | -178.9 | -163.5 | 178.4 | 5.9 | 0 | 0 | 112.5 | ||
| 950 | F | 63.4 | Low | 73.2 | Confident | 45 Ų | 45 | 42 Ų | 42 | 20% | 0.197 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -135.4 | 147 | -175.8 | -59.5 | -71.3 | 0 | 0 | 0 | 112.1 | C994 N998 M1002 | F950-C994 HydrophobicContact CE1-CB 4.45Å; F950-N998 HydrophobicContact CD1-CB 4.32Å; F950-N998 WeakPolarHBondContact CD2-ND2 3.48Å; F950-N998 HydrophobicContact CE1-CB 4.13Å; F950-N998 WeakPolarHBondContact CE2-ND2 3.4Å; F950-N998 HydrophobicContact CZ-CB 4.41Å; F950-N998 VanDerWaalsContact CZ-ND2 3.25Å; F950-N998 WeakPolarHBondContact CZ-ND2 3.37Å; F950-M1002 HydrophobicContact CD1-CE 3.78Å; F950-M1002 HydrophobicContact CE1-CE 4.18Å |
| 951 | P | 71.6 | Confident | 72.8 | Confident | 8 Ų | 8 | 45.7 Ų | 45.7 | 5% | 0.052 | 22% | 0.221 | C | C | . | . | trans | -74.7 | 164.1 | 175 | 29.5 | -29.7 | 0 | 0 | 0 | 111.5 | W940 W943 L953 L987 | W940-P951 HydrophobicContact CE3-CB 3.79Å; W940-P951 HydrophobicContact CH2-CB 4.48Å; W940-P951 HydrophobicContact CZ3-CB 3.67Å; W940-P951 HydrophobicContact CZ3-CG 4.33Å; W943-P951 HydrophobicContact CB-CB 4.35Å; W943-P951 HydrophobicContact CD2-CB 3.95Å; W943-P951 HydrophobicContact CD2-CG 4.18Å; W943-P951 HydrophobicContact CE3-CB 4.23Å; W943-P951 HydrophobicContact CG-CB 3.99Å; W943-P951 HydrophobicContact CG-CG 4.38Å; P951-L953 HydrophobicContact CG-CD2 3.78Å; P951-L953 HydrophobicContact CG-CG 4.17Å; P951-L953 PolarHBondContact O-N 2.98Å; P951-L987 HydrophobicContact CG-CD2 3.61Å | ||
| 952 | P | 72.4 | Confident | 72.5 | Confident | 3 Ų | 3 | 42 Ų | 42 | 2% | 0.019 | 21% | 0.208 | C | C | . | . | trans | -76.9 | 64.4 | -178.6 | 33.3 | -38.2 | 0 | 0 | 0 | 112.7 | L901 A936 L939 V954 L955 V956 | L901-P952 HydrophobicContact CD2-CB 4.36Å; A936-P952 HydrophobicContact CB-CG 4.34Å; A936-P952 WeakPolarHBondContact O-CG 3.44Å; L939-P952 HydrophobicContact CB-CB 4.12Å; L939-P952 HydrophobicContact CB-CG 3.81Å; L939-P952 HydrophobicContact CD1-CB 4.01Å; P952-V954 VanDerWaalsContact C-N 3.34Å; P952-V954 PolarHBondContact O-N 3.26Å; P952-L955 HydrophobicContact CB-CD1 4.45Å; P952-L955 PolarHBondContact O-N 3.16Å; P952-V956 HydrophobicContact CG-CG2 4.16Å; P952-V956 WeakPolarHBondContact O-CG2 3.33Å; P952-V956 PolarHBondContact O-N 2.5Å; P952-V956 VanDerWaalsContact O-N 3.1Å | ||
| 953 | L | 73.2 | Confident | 72.4 | Confident | 12 Ų | 12 | 42.3 Ų | 42.3 | 6% | 0.063 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -54.5 | -42.4 | -168.7 | -62.5 | 166.7 | 0 | 0 | 0 | 114.4 | P951 V956 K957 N1001 M1002 L1005 | P951-L953 HydrophobicContact CG-CD2 3.78Å; P951-L953 HydrophobicContact CG-CG 4.17Å; P951-L953 PolarHBondContact O-N 2.98Å; L953-V956 PolarHBondContact O-N 3.09Å; L953-K957 VanDerWaalsContact O-CB 3.24Å; L953-K957 WeakPolarHBondContact O-CB 3.37Å; L953-K957 PolarHBondContact O-N 3.21Å; L953-N1001 HydrophobicContact CD1-CB 3.94Å; L953-M1002 HydrophobicContact CD1-CB 4.23Å; L953-M1002 HydrophobicContact CD1-CE 4.21Å; L953-M1002 HydrophobicContact CD1-CG 3.65Å; L953-M1002 HydrophobicContact CD2-CB 4.43Å; L953-M1002 HydrophobicContact CD2-CG 3.49Å; L953-M1002 VanDerWaalsContact CD2-CG 3.49Å; L953-M1002 HydrophobicContact CG-CG 4.18Å; L953-L1005 HydrophobicContact CD2-CB 4.43Å; L953-L1005 HydrophobicContact CD2-CD2 3.44Å; L953-L1005 VanDerWaalsContact CD2-CD2 3.44Å |
| 954 | V | 69.2 | Low | 72 | Confident | 57 Ų | 57 | 45.9 Ų | 45.9 | 35% | 0.345 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -65.6 | -45.9 | -176.6 | -176.7 | 0 | 0 | 0 | 0 | 111.1 | D905 P952 K957 T958 | D905-V954 HydrophobicContact CB-CG1 3.77Å; P952-V954 VanDerWaalsContact C-N 3.34Å; P952-V954 PolarHBondContact O-N 3.26Å; V954-K957 PolarHBondContact O-N 3.13Å; V954-T958 PolarHBondContact O-N 3.42Å; V954-T958 PolarHBondContact O-OG1 2.99Å |
| 955 | L | 71.5 | Confident | 71.4 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -64.8 | -45.6 | 177.7 | -71 | 175.4 | 0 | 0 | 0 | 111.4 | L901 A904 D905 L908 A936 P952 K957 T958 L959 | L901-L955 HydrophobicContact CD2-CD1 3.49Å; L901-L955 VanDerWaalsContact CD2-CD1 3.49Å; L901-L955 HydrophobicContact CD2-CG 3.8Å; A904-L955 HydrophobicContact CB-CD1 4.39Å; A904-L955 HydrophobicContact CB-CD2 3.94Å; D905-L955 HydrophobicContact CB-CD2 4.25Å; L908-L955 HydrophobicContact CD2-CD2 4.05Å; A936-L955 HydrophobicContact CB-CB 4.29Å; A936-L955 HydrophobicContact CB-CD1 4.38Å; P952-L955 HydrophobicContact CB-CD1 4.45Å; P952-L955 PolarHBondContact O-N 3.16Å; L955-K957 VanDerWaalsContact C-N 3.32Å; L955-K957 PolarHBondContact O-N 3.4Å; L955-T958 PolarHBondContact O-N 3.15Å; L955-L959 WeakPolarHBondContact O-CG 3.27Å; L955-L959 PolarHBondContact O-N 3.25Å |
| 956 | V | 78 | Confident | 70.8 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -61.6 | -43.7 | 178 | 178.9 | 0 | 0 | 0 | 0 | 110 | W940 P952 L953 T958 L959 T960 L977 V980 L1005 | W940-V956 HydrophobicContact CE3-CG2 4.19Å; W940-V956 HydrophobicContact CZ3-CG2 4.34Å; P952-V956 HydrophobicContact CG-CG2 4.16Å; P952-V956 WeakPolarHBondContact O-CG2 3.33Å; P952-V956 PolarHBondContact O-N 2.5Å; P952-V956 VanDerWaalsContact O-N 3.1Å; L953-V956 PolarHBondContact O-N 3.09Å; V956-T958 PolarHBondContact O-N 3.37Å; V956-L959 PolarHBondContact O-N 2.75Å; V956-T960 PolarHBondContact O-N 2.97Å; V956-T960 PolarHBondContact O-OG1 2.95Å; V956-L977 HydrophobicContact CG1-CD2 4.34Å; V956-V980 HydrophobicContact CG1-CB 4.49Å; V956-V980 HydrophobicContact CG1-CG1 4.18Å; V956-V980 HydrophobicContact CG1-CG2 3.65Å; V956-V980 HydrophobicContact CG2-CG2 4.46Å; V956-L1005 HydrophobicContact CB-CD1 4.3Å; V956-L1005 HydrophobicContact CB-CD2 4.34Å; V956-L1005 HydrophobicContact CG1-CD1 3.89Å; V956-L1005 HydrophobicContact CG1-CD2 4.13Å |
| 957 | K | 76.6 | Confident | 70.1 | Confident | 50 Ų | 50 | 43.9 Ų | 43.9 | 22% | 0.217 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -57.2 | -48.1 | 176.5 | 180 | -177.9 | 175.4 | -175.6 | 0 | 111.4 | L953 V954 L955 T960 E961 E1004 L1005 V1008 | L953-K957 VanDerWaalsContact O-CB 3.24Å; L953-K957 WeakPolarHBondContact O-CB 3.37Å; L953-K957 PolarHBondContact O-N 3.21Å; V954-K957 PolarHBondContact O-N 3.13Å; L955-K957 VanDerWaalsContact C-N 3.32Å; L955-K957 PolarHBondContact O-N 3.4Å; K957-T960 PolarHBondContact O-N 3.48Å; K957-E961 WeakPolarHBondContact CE-OE1 3.19Å; K957-E961 WeakPolarHBondContact O-CG 3.42Å; K957-E961 PolarHBondContact O-N 3.39Å; K957-E1004 IonicContact NZ-OE2 3.57Å; K957-E1004 PolarHBondContact NZ-OE2 3.06Å; K957-L1005 HydrophobicContact CB-CD1 3.91Å; K957-V1008 HydrophobicContact CG-CG2 4.44Å |
| 958 | T | 72.9 | Confident | 69.8 | Low | 1 Ų | 1 | 44.7 Ų | 44.7 | 1% | 0.006 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -62.8 | -43.9 | 176.8 | -69.5 | 0 | 0 | 0 | 0 | 111.1 | D905 L908 R909 V954 L955 V956 T960 E961 F962 | D905-T958 WeakPolarHBondContact OD1-CB 3.43Å; D905-T958 PolarHBondContact OD1-OG1 3.15Å; L908-T958 HydrophobicContact CD2-CG2 3.83Å; L908-T958 HydrophobicContact CG-CG2 3.99Å; R909-T958 HydrophobicContact CB-CG2 3.97Å; R909-T958 PolarHBondContact NH2-OG1 3.14Å; V954-T958 PolarHBondContact O-N 3.42Å; V954-T958 PolarHBondContact O-OG1 2.99Å; L955-T958 PolarHBondContact O-N 3.15Å; V956-T958 PolarHBondContact O-N 3.37Å; T958-T960 VanDerWaalsContact C-N 3.31Å; T958-T960 PolarHBondContact O-N 3.06Å; T958-E961 PolarHBondContact O-N 3.47Å; T958-F962 HydrophobicContact CG2-CD2 3.84Å; T958-F962 HydrophobicContact CG2-CE2 3.98Å; T958-F962 WeakPolarHBondContact O-CD2 3.38Å; T958-F962 PolarHBondContact O-N 2.86Å; T958-F962 VanDerWaalsContact O-N 3.09Å |
| 959 | L | 79.1 | Confident | 69.6 | Low | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -59.1 | -40.9 | 173.8 | -70.3 | 175.7 | 0 | 0 | 0 | 112.5 | L908 T933 A936 L955 V956 F962 S963 L966 V973 L976 L977 | L908-L959 HydrophobicContact CD1-CD2 3.75Å; L908-L959 HydrophobicContact CD2-CD2 3.67Å; L908-L959 HydrophobicContact CD2-CG 3.72Å; L908-L959 HydrophobicContact CG-CD2 4.24Å; T933-L959 HydrophobicContact CG2-CD1 4.38Å; A936-L959 HydrophobicContact CB-CD1 4.41Å; L955-L959 WeakPolarHBondContact O-CG 3.27Å; L955-L959 PolarHBondContact O-N 3.25Å; V956-L959 PolarHBondContact O-N 2.75Å; L959-F962 CarbonylContact O-C 3.52Å; L959-F962 PolarHBondContact O-N 3.44Å; L959-S963 WeakPolarHBondContact O-CA 3.49Å; L959-S963 PolarHBondContact O-N 3.44Å; L959-L966 HydrophobicContact CD2-CD1 3.97Å; L959-V973 HydrophobicContact CD2-CG1 4.44Å; L959-V973 HydrophobicContact CD2-CG2 4.32Å; L959-L976 HydrophobicContact CD1-CD2 3.86Å; L959-L977 HydrophobicContact CB-CD2 4.5Å |
| 960 | T | 75.8 | Confident | 69.7 | Low | 6 Ų | 6 | 41.3 Ų | 41.3 | 4% | 0.037 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -65.9 | -45.6 | 176.4 | -50.8 | 0 | 0 | 0 | 0 | 111.3 | V956 K957 T958 F962 S963 L977 V1008 T1009 | V956-T960 PolarHBondContact O-N 2.97Å; V956-T960 PolarHBondContact O-OG1 2.95Å; K957-T960 PolarHBondContact O-N 3.48Å; T958-T960 VanDerWaalsContact C-N 3.31Å; T958-T960 PolarHBondContact O-N 3.06Å; T960-F962 PolarHBondContact O-N 3.48Å; T960-S963 VanDerWaalsContact O-CB 3.23Å; T960-S963 WeakPolarHBondContact O-CB 3.31Å; T960-S963 PolarHBondContact O-N 3.31Å; T960-S963 VanDerWaalsContact O-N 3.09Å; T960-S963 PolarHBondContact O-OG 2.91Å; T960-L977 WeakPolarHBondContact OG1-CD2 3.3Å; T960-V1008 HydrophobicContact CG2-CG1 3.84Å; T960-T1009 HydrophobicContact CG2-CG2 3.97Å |
| 961 | E | 72.6 | Confident | 70.1 | Confident | 78 Ų | 78 | 47.8 Ų | 47.8 | 36% | 0.364 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -58.4 | -32.5 | 177.1 | -76.9 | 177.2 | -171.8 | 0 | 0 | 112.6 | R909 K957 T958 V1008 | R909-E961 IonicContact CZ-OE2 3.77Å; R909-E961 IonicContact NH1-OE2 3.3Å; R909-E961 PolarHBondContact NH1-OE2 3.08Å; R909-E961 IonicContact NH2-OE2 3.53Å; R909-E961 PolarHBondContact NH2-OE2 3.11Å; K957-E961 WeakPolarHBondContact CE-OE1 3.19Å; K957-E961 WeakPolarHBondContact O-CG 3.42Å; K957-E961 PolarHBondContact O-N 3.39Å; T958-E961 PolarHBondContact O-N 3.47Å; E961-V1008 HydrophobicContact CG-CG1 4.18Å |
| 962 | F | 74 | Confident | 70.3 | Confident | 22 Ų | 22 | 49.7 Ų | 49.7 | 10% | 0.096 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.9 | 7.7 | 178.9 | -67.3 | -77.9 | 0 | 0 | 0 | 113.5 | R909 C912 K913 M916 T958 L959 T960 S964 L965 L966 | R909-F962 HydrophobicContact CG-CE2 3.91Å; R909-F962 HydrophobicContact CG-CZ 4.13Å; C912-F962 HydrophobicContact CB-CB 4.21Å; C912-F962 HydrophobicContact CB-CD1 3.89Å; C912-F962 HydrophobicContact CB-CD2 4.02Å; C912-F962 HydrophobicContact CB-CE1 4.29Å; C912-F962 HydrophobicContact CB-CE2 4.44Å; C912-F962 HydrophobicContact CB-CG 3.77Å; K913-F962 HydrophobicContact CG-CE1 4.34Å; K913-F962 HydrophobicContact CG-CZ 4.23Å; M916-F962 HydrophobicContact SD-CE1 4.26Å; T958-F962 HydrophobicContact CG2-CD2 3.84Å; T958-F962 HydrophobicContact CG2-CE2 3.98Å; T958-F962 WeakPolarHBondContact O-CD2 3.38Å; T958-F962 PolarHBondContact O-N 2.86Å; T958-F962 VanDerWaalsContact O-N 3.09Å; L959-F962 CarbonylContact O-C 3.52Å; L959-F962 PolarHBondContact O-N 3.44Å; T960-F962 PolarHBondContact O-N 3.48Å; F962-S964 PolarHBondContact O-N 2.96Å; F962-L965 HydrophobicContact CD1-CD1 4.07Å; F962-L965 WeakPolarHBondContact O-CB 3.5Å; F962-L965 PolarHBondContact O-N 2.86Å; F962-L966 HydrophobicContact CB-CD1 4.32Å; F962-L966 WeakPolarHBondContact O-CG 3.41Å; F962-L966 PolarHBondContact O-N 2.86Å |
| 963 | S | 73.5 | Confident | 70.4 | Confident | 14 Ų | 14 | 49.6 Ų | 49.6 | 10% | 0.098 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -56.1 | -50.4 | -170.9 | 64.4 | 0 | 0 | 0 | 0 | 112.8 | L959 T960 L965 L966 E967 | L959-S963 WeakPolarHBondContact O-CA 3.49Å; L959-S963 PolarHBondContact O-N 3.44Å; T960-S963 VanDerWaalsContact O-CB 3.23Å; T960-S963 WeakPolarHBondContact O-CB 3.31Å; T960-S963 PolarHBondContact O-N 3.31Å; T960-S963 VanDerWaalsContact O-N 3.09Å; T960-S963 PolarHBondContact O-OG 2.91Å; S963-L965 PolarHBondContact O-N 2.75Å; S963-L966 PolarHBondContact O-N 3.36Å; S963-E967 PolarHBondContact O-N 3.24Å |
| 964 | S | 68.1 | Low | 70.6 | Confident | 83 Ų | 83 | 52.3 Ų | 52.3 | 58% | 0.58 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -55.4 | -22.4 | 178.7 | 60.5 | 0 | 0 | 0 | 0 | 114.2 | F962 | F962-S964 PolarHBondContact O-N 2.96Å |
| 965 | L | 66.3 | Low | 71.1 | Confident | 86 Ų | 86 | 52 Ų | 52 | 45% | 0.45 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -94.1 | -25.1 | 177.8 | -59.7 | 171.9 | 0 | 0 | 0 | 112.5 | M916 F962 S963 | M916-L965 HydrophobicContact CE-CD1 3.76Å; M916-L965 HydrophobicContact CG-CD1 3.93Å; M916-L965 HydrophobicContact SD-CD1 3.74Å; F962-L965 HydrophobicContact CD1-CD1 4.07Å; F962-L965 WeakPolarHBondContact O-CB 3.5Å; F962-L965 PolarHBondContact O-N 2.86Å; S963-L965 PolarHBondContact O-N 2.75Å |
| 966 | L | 66.8 | Low | 71.5 | Confident | 4 Ų | 4 | 52.1 Ų | 52.1 | 2% | 0.021 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -88.2 | -21.8 | -178.2 | -66.9 | 176.7 | 0 | 0 | 0 | 113.2 | M915 V929 L959 F962 S963 Q968 N969 S970 V973 | M915-L966 HydrophobicContact CE-CD2 4.25Å; V929-L966 HydrophobicContact CG1-CD1 4.23Å; V929-L966 HydrophobicContact CG1-CD2 3.87Å; V929-L966 HydrophobicContact CG2-CD2 4.41Å; L959-L966 HydrophobicContact CD2-CD1 3.97Å; F962-L966 HydrophobicContact CB-CD1 4.32Å; F962-L966 WeakPolarHBondContact O-CG 3.41Å; F962-L966 PolarHBondContact O-N 2.86Å; S963-L966 PolarHBondContact O-N 3.36Å; L966-Q968 PolarHBondContact O-N 3.32Å; L966-Q968 VanDerWaalsContact O-N 3.11Å; L966-N969 PolarHBondContact O-N 2.95Å; L966-N969 VanDerWaalsContact O-N 3.11Å; L966-S970 PolarHBondContact O-N 3.22Å; L966-S970 PolarHBondContact O-OG 3.21Å; L966-V973 HydrophobicContact CB-CG1 4.39Å; L966-V973 HydrophobicContact CD1-CG1 4.07Å; L966-V973 HydrophobicContact CD1-CG2 4.23Å |
| 967 | E | 56.7 | Low | 71.6 | Confident | 136 Ų | 136 | 53.3 Ų | 53.3 | 64% | 0.636 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.2 | -29.4 | -179.6 | -82.6 | -174.2 | 169.3 | 0 | 0 | 113.8 | S963 N969 | S963-E967 PolarHBondContact O-N 3.24Å; E967-N969 VanDerWaalsContact C-N 3.27Å; E967-N969 PolarHBondContact O-N 3.47Å |
| 968 | Q | 58.5 | Low | 71.7 | Confident | 164 Ų | 164 | 53.6 Ų | 53.6 | 77% | 0.766 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.4 | -18.4 | -178.8 | -70.2 | -172.5 | -6.2 | 0 | 0 | 113.9 | L966 | L966-Q968 PolarHBondContact O-N 3.32Å; L966-Q968 VanDerWaalsContact O-N 3.11Å |
| 969 | N | 57.6 | Low | 72 | Confident | 94 Ų | 94 | 56.2 Ų | 56.2 | 50% | 0.503 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -141.6 | -1.1 | -169.9 | -70.4 | -39.6 | 0 | 0 | 0 | 116.9 | L966 E967 | L966-N969 PolarHBondContact O-N 2.95Å; L966-N969 VanDerWaalsContact O-N 3.11Å; E967-N969 VanDerWaalsContact C-N 3.27Å; E967-N969 PolarHBondContact O-N 3.47Å |
| 970 | S | 66.3 | Low | 72 | Confident | 4 Ų | 4 | 56.2 Ų | 56.2 | 3% | 0.028 | 31% | 0.305 | C | S | . | . | trans | -135.2 | 87.2 | -170.9 | 61.6 | 0 | 0 | 0 | 0 | 114.9 | L966 S972 V973 T974 | L966-S970 PolarHBondContact O-N 3.22Å; L966-S970 PolarHBondContact O-OG 3.21Å; S970-S972 PolarHBondContact O-N 3.02Å; S970-S972 VanDerWaalsContact O-N 3.14Å; S970-V973 PolarHBondContact O-N 3.49Å; S970-V973 VanDerWaalsContact O-N 3.15Å; S970-V973 WeakPolarHBondContact OG-CB 3.18Å; S970-V973 VanDerWaalsContact OG-CG2 3.23Å; S970-V973 WeakPolarHBondContact OG-CG2 3.21Å; S970-T974 PolarHBondContact O-N 3.4Å; S970-T974 PolarHBondContact O-OG1 3.22Å | ||
| 971 | Q | 72.1 | Confident | 71.8 | Confident | 181 Ų | 181 | 59.6 Ų | 59.6 | 85% | 0.846 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -54.7 | -31.1 | 172.6 | -71.3 | -179.8 | -10 | 0 | 0 | 112.8 | A975 | Q971-A975 VanDerWaalsContact O-CB 3.3Å; Q971-A975 WeakPolarHBondContact O-CB 3.46Å; Q971-A975 PolarHBondContact O-N 3.29Å |
| 972 | S | 73.9 | Confident | 72 | Confident | 48 Ų | 48 | 61.8 Ų | 61.8 | 34% | 0.336 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -66.1 | -41.6 | 178.1 | 51.5 | 0 | 0 | 0 | 0 | 113.1 | S970 A975 L976 | S970-S972 PolarHBondContact O-N 3.02Å; S970-S972 VanDerWaalsContact O-N 3.14Å; S972-A975 PolarHBondContact O-N 3.08Å; S972-L976 PolarHBondContact O-N 3.46Å |
| 973 | V | 76.6 | Confident | 72.2 | Confident | 2 Ų | 2 | 62.1 Ų | 62.1 | 1% | 0.012 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -66.5 | -46.8 | 178.1 | 176.9 | 0 | 0 | 0 | 0 | 109.2 | V929 T933 L959 L966 S970 A975 L976 L977 | V929-V973 HydrophobicContact CG1-CG2 4.22Å; T933-V973 HydrophobicContact CG2-CB 4.36Å; T933-V973 HydrophobicContact CG2-CG2 3.76Å; T933-V973 WeakPolarHBondContact OG1-CG2 3.32Å; L959-V973 HydrophobicContact CD2-CG1 4.44Å; L959-V973 HydrophobicContact CD2-CG2 4.32Å; L966-V973 HydrophobicContact CB-CG1 4.39Å; L966-V973 HydrophobicContact CD1-CG1 4.07Å; L966-V973 HydrophobicContact CD1-CG2 4.23Å; S970-V973 PolarHBondContact O-N 3.49Å; S970-V973 VanDerWaalsContact O-N 3.15Å; S970-V973 WeakPolarHBondContact OG-CB 3.18Å; S970-V973 VanDerWaalsContact OG-CG2 3.23Å; S970-V973 WeakPolarHBondContact OG-CG2 3.21Å; V973-A975 VanDerWaalsContact C-N 3.29Å; V973-A975 PolarHBondContact O-N 2.84Å; V973-L976 PolarHBondContact O-N 3.36Å; V973-L977 HydrophobicContact CG1-CD1 3.88Å; V973-L977 HydrophobicContact CG1-CG 4.23Å; V973-L977 WeakPolarHBondContact O-CB 3.15Å; V973-L977 WeakPolarHBondContact O-CG 3.24Å; V973-L977 PolarHBondContact O-N 3.28Å |
| 974 | T | 75.9 | Confident | 72.2 | Confident | 68 Ų | 68 | 61.6 Ų | 61.6 | 42% | 0.417 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -60.4 | -40 | 177.4 | -40.8 | 0 | 0 | 0 | 0 | 111.6 | S970 S978 | S970-T974 PolarHBondContact O-N 3.4Å; S970-T974 PolarHBondContact O-OG1 3.22Å; T974-S978 VanDerWaalsContact O-CB 3.27Å; T974-S978 WeakPolarHBondContact O-CB 3.43Å; T974-S978 PolarHBondContact O-N 3.17Å |
| 975 | A | 80.2 | Confident | 72.3 | Confident | 51 Ų | 51 | 63.7 Ų | 63.7 | 42% | 0.421 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -65.4 | -42.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q971 S972 V973 S978 Q979 | Q971-A975 VanDerWaalsContact O-CB 3.3Å; Q971-A975 WeakPolarHBondContact O-CB 3.46Å; Q971-A975 PolarHBondContact O-N 3.29Å; S972-A975 PolarHBondContact O-N 3.08Å; V973-A975 VanDerWaalsContact C-N 3.29Å; V973-A975 PolarHBondContact O-N 2.84Å; A975-S978 PolarHBondContact O-N 3.1Å; A975-Q979 WeakPolarHBondContact O-CG 3.39Å; A975-Q979 PolarHBondContact O-N 2.86Å |
| 976 | L | 80.4 | Confident | 72.7 | Confident | 2 Ų | 2 | 64 Ų | 64 | 1% | 0.01 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -65 | -47.7 | 176.2 | 178.7 | 59 | 0 | 0 | 0 | 111.4 | T933 A936 T937 W940 L959 S972 V973 S978 Q979 V980 | T933-L976 HydrophobicContact CG2-CB 4.44Å; T933-L976 HydrophobicContact CG2-CD2 4.2Å; A936-L976 HydrophobicContact CB-CD2 3.68Å; T937-L976 HydrophobicContact CG2-CD1 4.46Å; W940-L976 HydrophobicContact CB-CD1 4Å; W940-L976 HydrophobicContact CD2-CD1 4.47Å; W940-L976 HydrophobicContact CG-CD1 4.03Å; L959-L976 HydrophobicContact CD1-CD2 3.86Å; S972-L976 PolarHBondContact O-N 3.46Å; V973-L976 PolarHBondContact O-N 3.36Å; L976-S978 VanDerWaalsContact C-N 3.28Å; L976-S978 PolarHBondContact O-N 2.98Å; L976-Q979 CarbonylContact O-C 3.24Å; L976-Q979 WeakPolarHBondContact O-CA 3.46Å; L976-Q979 WeakPolarHBondContact O-CB 3.43Å; L976-Q979 PolarHBondContact O-N 2.96Å; L976-V980 HydrophobicContact CD1-CG2 4.48Å; L976-V980 VanDerWaalsContact O-CG2 3.27Å; L976-V980 WeakPolarHBondContact O-CG2 3.34Å; L976-V980 PolarHBondContact O-N 3.1Å |
| 977 | L | 79.9 | Confident | 73.2 | Confident | 25 Ų | 25 | 63.8 Ų | 63.8 | 13% | 0.131 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -62.5 | -37.1 | 178.2 | -66.5 | 179.7 | 0 | 0 | 0 | 111.4 | V956 L959 T960 V973 Q979 V980 D981 | V956-L977 HydrophobicContact CG1-CD2 4.34Å; L959-L977 HydrophobicContact CB-CD2 4.5Å; T960-L977 WeakPolarHBondContact OG1-CD2 3.3Å; V973-L977 HydrophobicContact CG1-CD1 3.88Å; V973-L977 HydrophobicContact CG1-CG 4.23Å; V973-L977 WeakPolarHBondContact O-CB 3.15Å; V973-L977 WeakPolarHBondContact O-CG 3.24Å; V973-L977 PolarHBondContact O-N 3.28Å; L977-Q979 PolarHBondContact O-N 2.95Å; L977-V980 WeakPolarHBondContact O-CB 3.32Å; L977-V980 PolarHBondContact O-N 2.81Å; L977-D981 PolarHBondContact O-N 3.01Å |
| 978 | S | 78.5 | Confident | 73.9 | Confident | 57 Ų | 57 | 57.4 Ų | 57.4 | 40% | 0.399 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -64.9 | -36.9 | 171.1 | 179.6 | 0 | 0 | 0 | 0 | 112.7 | T974 A975 L976 D981 N982 | T974-S978 VanDerWaalsContact O-CB 3.27Å; T974-S978 WeakPolarHBondContact O-CB 3.43Å; T974-S978 PolarHBondContact O-N 3.17Å; A975-S978 PolarHBondContact O-N 3.1Å; L976-S978 VanDerWaalsContact C-N 3.28Å; L976-S978 PolarHBondContact O-N 2.98Å; S978-D981 PolarHBondContact O-N 3.26Å; S978-N982 WeakPolarHBondContact O-CB 3.23Å; S978-N982 PolarHBondContact O-N 2.89Å; S978-N982 PolarHBondContact O-ND2 3.38Å; S978-N982 VanDerWaalsContact O-ND2 3.11Å |
| 979 | Q | 79.9 | Confident | 74.4 | Confident | 55 Ų | 55 | 53.1 Ų | 53.1 | 26% | 0.257 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -65.9 | -38.5 | 172.5 | -76.7 | 177.7 | 2.4 | 0 | 0 | 112.1 | A975 L976 L977 N982 N983 | A975-Q979 WeakPolarHBondContact O-CG 3.39Å; A975-Q979 PolarHBondContact O-N 2.86Å; L976-Q979 CarbonylContact O-C 3.24Å; L976-Q979 WeakPolarHBondContact O-CA 3.46Å; L976-Q979 WeakPolarHBondContact O-CB 3.43Å; L976-Q979 PolarHBondContact O-N 2.96Å; L977-Q979 PolarHBondContact O-N 2.95Å; Q979-N982 PolarHBondContact O-N 2.99Å; Q979-N983 WeakPolarHBondContact O-CB 3.46Å; Q979-N983 PolarHBondContact O-N 3.12Å; Q979-N983 VanDerWaalsContact O-N 3.09Å; Q979-N983 PolarHBondContact O-ND2 2.72Å |
| 980 | V | 77.7 | Confident | 75.1 | Confident | 1 Ų | 1 | 49.8 Ų | 49.8 | 1% | 0.006 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -60.3 | -49.8 | 173.8 | 174.7 | 0 | 0 | 0 | 0 | 109.5 | W940 V956 L976 L977 N982 N983 V984 L987 T1009 | W940-V980 HydrophobicContact CD2-CG2 4.21Å; W940-V980 HydrophobicContact CE3-CG2 3.98Å; W940-V980 HydrophobicContact CH2-CB 4.04Å; W940-V980 HydrophobicContact CH2-CG1 3.94Å; W940-V980 HydrophobicContact CH2-CG2 3.68Å; W940-V980 HydrophobicContact CZ2-CB 4.2Å; W940-V980 HydrophobicContact CZ2-CG2 3.92Å; W940-V980 HydrophobicContact CZ3-CG1 4.43Å; W940-V980 HydrophobicContact CZ3-CG2 3.72Å; V956-V980 HydrophobicContact CG1-CB 4.49Å; V956-V980 HydrophobicContact CG1-CG1 4.18Å; V956-V980 HydrophobicContact CG1-CG2 3.65Å; V956-V980 HydrophobicContact CG2-CG2 4.46Å; L976-V980 HydrophobicContact CD1-CG2 4.48Å; L976-V980 VanDerWaalsContact O-CG2 3.27Å; L976-V980 WeakPolarHBondContact O-CG2 3.34Å; L976-V980 PolarHBondContact O-N 3.1Å; L977-V980 WeakPolarHBondContact O-CB 3.32Å; L977-V980 PolarHBondContact O-N 2.81Å; V980-N982 VanDerWaalsContact C-N 3.32Å; V980-N982 PolarHBondContact O-N 3.2Å; V980-N983 CarbonylContact O-C 3.55Å; V980-N983 PolarHBondContact O-N 2.93Å; V980-N983 VanDerWaalsContact O-N 3.1Å; V980-V984 VanDerWaalsContact O-CG2 3.27Å; V980-V984 WeakPolarHBondContact O-CG2 3.41Å; V980-V984 PolarHBondContact O-N 3.24Å; V980-L987 HydrophobicContact CG1-CD1 4.49Å; V980-T1009 HydrophobicContact CG1-CG2 4.41Å |
| 981 | D | 73.5 | Confident | 75.3 | Confident | 76 Ų | 76 | 49.6 Ų | 49.6 | 41% | 0.406 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -57.9 | -41.9 | 177 | -72.5 | -19.4 | 0 | 0 | 0 | 112.2 | L977 S978 N983 V984 | L977-D981 PolarHBondContact O-N 3.01Å; S978-D981 PolarHBondContact O-N 3.26Å; D981-N983 VanDerWaalsContact C-N 3.28Å; D981-N983 PolarHBondContact O-N 3.32Å; D981-V984 WeakPolarHBondContact O-CG2 3.34Å; D981-V984 PolarHBondContact O-N 2.89Å |
| 982 | N | 75.5 | Confident | 74.8 | Confident | 124 Ų | 124 | 43.2 Ų | 43.2 | 66% | 0.663 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -71.6 | -19.6 | 179 | -70.3 | -27.7 | 0 | 0 | 0 | 113.8 | S978 Q979 V980 | S978-N982 WeakPolarHBondContact O-CB 3.23Å; S978-N982 PolarHBondContact O-N 2.89Å; S978-N982 PolarHBondContact O-ND2 3.38Å; S978-N982 VanDerWaalsContact O-ND2 3.11Å; Q979-N982 PolarHBondContact O-N 2.99Å; V980-N982 VanDerWaalsContact C-N 3.32Å; V980-N982 PolarHBondContact O-N 3.2Å |
| 983 | N | 78.2 | Confident | 74.2 | Confident | 29 Ų | 29 | 47 Ų | 47 | 16% | 0.155 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.3 | 12.7 | -178.9 | -80.4 | -76.8 | 0 | 0 | 0 | 112.7 | W940 W943 E944 Q979 V980 D981 E985 R986 L987 | W940-N983 HydrophobicContact CZ2-CB 3.8Å; W943-N983 HydrophobicContact CZ3-CB 4.28Å; E944-N983 PolarHBondContact OE1-ND2 2.68Å; Q979-N983 WeakPolarHBondContact O-CB 3.46Å; Q979-N983 PolarHBondContact O-N 3.12Å; Q979-N983 VanDerWaalsContact O-N 3.09Å; Q979-N983 PolarHBondContact O-ND2 2.72Å; V980-N983 CarbonylContact O-C 3.55Å; V980-N983 PolarHBondContact O-N 2.93Å; V980-N983 VanDerWaalsContact O-N 3.1Å; D981-N983 VanDerWaalsContact C-N 3.28Å; D981-N983 PolarHBondContact O-N 3.32Å; N983-E985 PolarHBondContact O-N 2.83Å; N983-R986 HydrophobicContact CB-CB 4.48Å; N983-R986 CarbonylContact O-C 3.13Å; N983-R986 WeakPolarHBondContact O-CA 3.47Å; N983-R986 WeakPolarHBondContact O-CB 3.41Å; N983-R986 PolarHBondContact O-N 3.46Å; N983-L987 PolarHBondContact O-N 3.42Å |
| 984 | V | 73.2 | Confident | 73.5 | Confident | 3 Ų | 3 | 47.3 Ų | 47.3 | 2% | 0.018 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -60 | -36.6 | 180 | 176.4 | 0 | 0 | 0 | 0 | 111.6 | V980 D981 R986 L987 C988 L1006 L1019 | V980-V984 VanDerWaalsContact O-CG2 3.27Å; V980-V984 WeakPolarHBondContact O-CG2 3.41Å; V980-V984 PolarHBondContact O-N 3.24Å; D981-V984 WeakPolarHBondContact O-CG2 3.34Å; D981-V984 PolarHBondContact O-N 2.89Å; V984-R986 PolarHBondContact O-N 2.99Å; V984-L987 PolarHBondContact O-N 3.49Å; V984-C988 WeakPolarHBondContact O-CB 3.39Å; V984-C988 PolarHBondContact O-N 3.41Å; V984-C988 PolarHBondContact O-SG 3.42Å; V984-L1006 HydrophobicContact CG1-CD2 3.52Å; V984-L1006 HydrophobicContact CG2-CD2 4.48Å; V984-L1019 HydrophobicContact CB-CD1 3.53Å; V984-L1019 HydrophobicContact CG1-CD1 3.24Å; V984-L1019 HydrophobicContact CG1-CG 4.06Å; V984-L1019 HydrophobicContact CG2-CD1 3.85Å |
| 985 | E | 70 | Confident | 72.8 | Confident | 127 Ų | 127 | 48.1 Ų | 48.1 | 59% | 0.593 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -59.7 | -36 | 174.1 | -64.7 | -170.5 | 165.2 | 0 | 0 | 112.1 | N983 C988 S989 H1022 | N983-E985 PolarHBondContact O-N 2.83Å; E985-C988 VanDerWaalsContact O-CB 3.31Å; E985-C988 WeakPolarHBondContact O-CB 3.46Å; E985-S989 PolarHBondContact O-N 2.93Å; E985-H1022 IonicContact OE1-CE1 3.04Å; E985-H1022 PolarHBondContact OE1-CE1 2.94Å; E985-H1022 VanDerWaalsContact OE1-CE1 3.24Å; E985-H1022 IonicContact OE1-ND1 3.61Å; E985-H1022 IonicContact OE1-NE2 3.37Å |
| 986 | R | 76.2 | Confident | 71.9 | Confident | 92 Ų | 92 | 46.9 Ų | 46.9 | 35% | 0.347 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -74.8 | -37.7 | 176.2 | -170.9 | -179.3 | 176.9 | 162.7 | -0.4 | 112.7 | W943 E944 N983 V984 C988 S989 T990 | W943-R986 HydrophobicContact CH2-CB 3.91Å; W943-R986 HydrophobicContact CH2-CG 3.59Å; W943-R986 HydrophobicContact CZ2-CG 3.88Å; W943-R986 HydrophobicContact CZ3-CG 4.43Å; W943-R986 PolarHBondContact O-NH2 2.88Å; E944-R986 VanDerWaalsContact C-NH2 3.34Å; E944-R986 VanDerWaalsContact CA-NH1 3.33Å; E944-R986 PolarHBondContact O-NH1 3.19Å; E944-R986 PolarHBondContact O-NH2 3.46Å; N983-R986 HydrophobicContact CB-CB 4.48Å; N983-R986 CarbonylContact O-C 3.13Å; N983-R986 WeakPolarHBondContact O-CA 3.47Å; N983-R986 WeakPolarHBondContact O-CB 3.41Å; N983-R986 PolarHBondContact O-N 3.46Å; V984-R986 PolarHBondContact O-N 2.99Å; R986-C988 VanDerWaalsContact C-N 3.32Å; R986-S989 WeakPolarHBondContact CA-OG 3.04Å; R986-S989 PolarHBondContact O-N 3.49Å; R986-S989 PolarHBondContact O-OG 3.29Å; R986-T990 PolarHBondContact O-N 3.45Å; R986-T990 VanDerWaalsContact O-N 3.08Å; R986-T990 PolarHBondContact O-OG1 3.33Å |
| 987 | L | 76.4 | Confident | 70.9 | Confident | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.005 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -60 | -48.1 | 171.1 | -75.5 | 177.3 | 0 | 0 | 0 | 110.3 | W940 W943 P951 V980 N983 V984 S989 T990 L991 M1002 L1006 | W940-L987 HydrophobicContact CH2-CD1 3.92Å; W940-L987 HydrophobicContact CH2-CD2 3.94Å; W940-L987 HydrophobicContact CH2-CG 4.04Å; W940-L987 HydrophobicContact CZ3-CD2 4.45Å; W943-L987 HydrophobicContact CH2-CD2 3.82Å; W943-L987 HydrophobicContact CH2-CG 4.1Å; W943-L987 HydrophobicContact CZ2-CD2 4Å; W943-L987 HydrophobicContact CZ3-CD2 4.46Å; P951-L987 HydrophobicContact CG-CD2 3.61Å; V980-L987 HydrophobicContact CG1-CD1 4.49Å; N983-L987 PolarHBondContact O-N 3.42Å; V984-L987 PolarHBondContact O-N 3.49Å; L987-S989 VanDerWaalsContact C-N 3.35Å; L987-S989 PolarHBondContact O-N 3.39Å; L987-T990 WeakPolarHBondContact O-CB 3.41Å; L987-T990 PolarHBondContact O-N 3.42Å; L987-L991 PolarHBondContact O-N 3.38Å; L987-M1002 HydrophobicContact CD2-CG 4.45Å; L987-M1002 HydrophobicContact CD2-SD 4.35Å; L987-L1006 HydrophobicContact CB-CD2 4.44Å; L987-L1006 HydrophobicContact CD1-CD2 4.08Å |
| 988 | C | 71.7 | Confident | 70 | Confident | 2 Ų | 2 | 52.3 Ų | 52.3 | 1% | 0.014 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -53.3 | -48.2 | 174.2 | -83.3 | 0 | 0 | 0 | 0 | 111.8 | V984 E985 R986 T990 L991 S1026 | V984-C988 WeakPolarHBondContact O-CB 3.39Å; V984-C988 PolarHBondContact O-N 3.41Å; V984-C988 PolarHBondContact O-SG 3.42Å; E985-C988 VanDerWaalsContact O-CB 3.31Å; E985-C988 WeakPolarHBondContact O-CB 3.46Å; R986-C988 VanDerWaalsContact C-N 3.32Å; C988-T990 VanDerWaalsContact C-N 3.26Å; C988-T990 PolarHBondContact O-N 2.93Å; C988-L991 WeakPolarHBondContact O-CB 3.4Å; C988-L991 PolarHBondContact O-N 3.11Å; C988-S1026 WeakPolarHBondContact CB-OG 3.25Å; C988-S1026 WeakPolarHBondContact O-CB 2.96Å |
| 989 | S | 69.9 | Low | 69.5 | Low | 74 Ų | 74 | 49.8 Ų | 49.8 | 52% | 0.517 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -67.1 | -24.1 | 176.9 | 70.2 | 0 | 0 | 0 | 0 | 113.8 | E985 R986 L987 S992 | E985-S989 PolarHBondContact O-N 2.93Å; R986-S989 WeakPolarHBondContact CA-OG 3.04Å; R986-S989 PolarHBondContact O-N 3.49Å; R986-S989 PolarHBondContact O-OG 3.29Å; L987-S989 VanDerWaalsContact C-N 3.35Å; L987-S989 PolarHBondContact O-N 3.39Å; S989-S992 PolarHBondContact O-OG 3.23Å |
| 990 | T | 72.5 | Confident | 68.9 | Low | 24 Ų | 24 | 48.2 Ų | 48.2 | 15% | 0.147 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -79.7 | -20.3 | -179.8 | -48.5 | 0 | 0 | 0 | 0 | 112.1 | R986 L987 C988 S992 D993 C994 | R986-T990 PolarHBondContact O-N 3.45Å; R986-T990 VanDerWaalsContact O-N 3.08Å; R986-T990 PolarHBondContact O-OG1 3.33Å; L987-T990 WeakPolarHBondContact O-CB 3.41Å; L987-T990 PolarHBondContact O-N 3.42Å; C988-T990 VanDerWaalsContact C-N 3.26Å; C988-T990 PolarHBondContact O-N 2.93Å; T990-S992 PolarHBondContact O-N 2.96Å; T990-S992 VanDerWaalsContact O-N 3.07Å; T990-D993 PolarHBondContact O-N 3.46Å; T990-D993 VanDerWaalsContact O-N 3.09Å; T990-C994 PolarHBondContact O-SG 3.39Å |
| 991 | L | 68.7 | Low | 68.4 | Low | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 27% | 0.266 | C | S | . | . | G | 310 helix | trans | -56.2 | -27.3 | -179.2 | -73.5 | 172.5 | 0 | 0 | 0 | 113.3 | L987 C988 D993 F999 M1002 L1003 L1006 | L987-L991 PolarHBondContact O-N 3.38Å; C988-L991 WeakPolarHBondContact O-CB 3.4Å; C988-L991 PolarHBondContact O-N 3.11Å; L991-D993 VanDerWaalsContact C-N 3.29Å; L991-D993 PolarHBondContact O-N 3.38Å; L991-F999 HydrophobicContact CB-CD2 4.05Å; L991-F999 HydrophobicContact CB-CE2 4.07Å; L991-F999 HydrophobicContact CD1-CE2 4.49Å; L991-F999 HydrophobicContact CD2-CD2 3.59Å; L991-F999 HydrophobicContact CD2-CE2 3.99Å; L991-F999 HydrophobicContact CD2-CG 4.42Å; L991-F999 HydrophobicContact CG-CD2 4.35Å; L991-F999 HydrophobicContact CG-CE2 4.42Å; L991-M1002 HydrophobicContact CD2-CB 3.64Å; L991-M1002 HydrophobicContact CD2-CG 4.44Å; L991-M1002 HydrophobicContact CD2-SD 4.19Å; L991-L1003 HydrophobicContact CD1-CD2 3.83Å; L991-L1003 HydrophobicContact CD2-CD2 4.19Å; L991-L1003 HydrophobicContact CD2-CG 4.27Å; L991-L1006 HydrophobicContact CD1-CD1 4.13Å |
| 992 | S | 62.3 | Low | 68.4 | Low | 47 Ų | 47 | 46.9 Ų | 46.9 | 33% | 0.329 | 25% | 0.246 | S | C | . | . | G | 310 helix | trans | -67.5 | -28.2 | -180 | 63.2 | 0 | 0 | 0 | 0 | 114.6 | S989 T990 N1029 | S989-S992 PolarHBondContact O-OG 3.23Å; T990-S992 PolarHBondContact O-N 2.96Å; T990-S992 VanDerWaalsContact O-N 3.07Å; S992-N1029 VanDerWaalsContact CA-O 3.23Å; S992-N1029 WeakPolarHBondContact CA-O 3.32Å |
| 993 | D | 62 | Low | 68.2 | Low | 127 Ų | 127 | 41.1 Ų | 41.1 | 68% | 0.679 | 22% | 0.215 | S | C | * | . | G | 310 helix | trans | -104.7 | 6.6 | -171.5 | -56.8 | -14 | 0 | 0 | 0 | 111.5 | T990 L991 | T990-D993 PolarHBondContact O-N 3.46Å; T990-D993 VanDerWaalsContact O-N 3.09Å; L991-D993 VanDerWaalsContact C-N 3.29Å; L991-D993 PolarHBondContact O-N 3.38Å |
| 994 | C | 60.9 | Low | 67.8 | Low | 9 Ų | 9 | 41 Ų | 41 | 6% | 0.061 | 21% | 0.214 | C | C | . | . | trans | -83.4 | 146.6 | -176.4 | -66.3 | 0 | 0 | 0 | 0 | 112.1 | F950 T990 N998 F999 M1002 P1031 | F950-C994 HydrophobicContact CE1-CB 4.45Å; T990-C994 PolarHBondContact O-SG 3.39Å; C994-N998 HydrophobicContact CB-CB 4.23Å; C994-F999 HydrophobicContact CB-CB 4.04Å; C994-M1002 HydrophobicContact CB-CE 4.48Å; C994-M1002 WeakPolarHBondContact SG-CE 3.36Å; C994-P1031 WeakPolarHBondContact O-CB 3.42Å | ||
| 995 | N | 61.2 | Low | 67.7 | Low | 85 Ų | 85 | 41 Ų | 41 | 46% | 0.455 | 21% | 0.213 | S | C | . | . | trans | -68.6 | 166.9 | 156.9 | 70.4 | 12.5 | 0 | 0 | 0 | 109.8 | E997 N998 F999 | N995-E997 PolarHBondContact O-N 2.92Å; N995-N998 PolarHBondContact O-N 3.41Å; N995-N998 WeakPolarHBondContact OD1-CB 3.37Å; N995-N998 PolarHBondContact OD1-N 2.99Å; N995-N998 PolarHBondContact OD1-ND2 3.45Å; N995-F999 WeakPolarHBondContact O-CB 3.4Å; N995-F999 PolarHBondContact O-N 3.26Å | ||
| 996 | F | 61.2 | Low | 67.9 | Low | 24 Ų | 24 | 34.9 Ų | 34.9 | 11% | 0.105 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61.9 | -39.1 | -174.8 | -178.5 | -112.3 | 0 | 0 | 0 | 114.1 | F999 N1000 P1031 F1034 L1038 T1046 F1084 | F996-F999 PolarHBondContact O-N 3.06Å; F996-N1000 WeakPolarHBondContact O-CB 3.44Å; F996-N1000 PolarHBondContact O-N 3.38Å; F996-P1031 HydrophobicContact CB-CG 4.41Å; F996-P1031 HydrophobicContact CD2-CG 4.03Å; F996-F1034 HydrophobicContact CB-CB 4.47Å; F996-F1034 HydrophobicContact CD2-CB 4.01Å; F996-F1034 HydrophobicContact CG-CB 4.32Å; F996-L1038 HydrophobicContact CD1-CD1 3.63Å; F996-L1038 HydrophobicContact CE1-CD1 3.58Å; F996-L1038 HydrophobicContact CG-CD1 4.49Å; F996-L1038 HydrophobicContact CZ-CD1 4.49Å; F996-T1046 HydrophobicContact CE1-CG2 3.34Å; F996-T1046 HydrophobicContact CZ-CG2 3.43Å; F996-T1046 VanDerWaalsContact CZ-CG2 3.43Å; F996-F1084 HydrophobicContact CE2-CE2 4.15Å; F996-F1084 AromaticContact CE2-CZ 3.63Å; F996-F1084 HydrophobicContact CE2-CZ 3.63Å; F996-F1084 HydrophobicContact CZ-CE1 4.47Å; F996-F1084 AromaticContact CZ-CZ 3.74Å; F996-F1084 HydrophobicContact CZ-CZ 3.74Å |
| 997 | E | 58.9 | Low | 67.5 | Low | 111 Ų | 111 | 31 Ų | 31 | 52% | 0.519 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -62.4 | -46.7 | 177.8 | -169.3 | -177.5 | 173.9 | 0 | 0 | 111.5 | N995 N1000 N1001 | N995-E997 PolarHBondContact O-N 2.92Å; E997-N1000 PolarHBondContact O-N 3.41Å; E997-N1001 WeakPolarHBondContact O-CB 3.48Å; E997-N1001 VanDerWaalsContact O-CG 3.31Å; E997-N1001 PolarHBondContact O-N 3.15Å; E997-N1001 PolarHBondContact O-ND2 2.89Å |
| 998 | N | 62.9 | Low | 67.1 | Low | 31 Ų | 31 | 32.3 Ų | 32.3 | 17% | 0.166 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -69.5 | -36.5 | 178.4 | -68 | -21.7 | 0 | 0 | 0 | 112 | F950 C994 N995 N1001 M1002 | F950-N998 HydrophobicContact CD1-CB 4.32Å; F950-N998 WeakPolarHBondContact CD2-ND2 3.48Å; F950-N998 HydrophobicContact CE1-CB 4.13Å; F950-N998 WeakPolarHBondContact CE2-ND2 3.4Å; F950-N998 HydrophobicContact CZ-CB 4.41Å; F950-N998 VanDerWaalsContact CZ-ND2 3.25Å; F950-N998 WeakPolarHBondContact CZ-ND2 3.37Å; C994-N998 HydrophobicContact CB-CB 4.23Å; N995-N998 PolarHBondContact O-N 3.41Å; N995-N998 WeakPolarHBondContact OD1-CB 3.37Å; N995-N998 PolarHBondContact OD1-N 2.99Å; N995-N998 PolarHBondContact OD1-ND2 3.45Å; N998-N1001 PolarHBondContact O-N 3.32Å; N998-M1002 HydrophobicContact CB-CE 4.29Å; N998-M1002 WeakPolarHBondContact O-CB 3.39Å; N998-M1002 PolarHBondContact O-N 2.89Å |
| 999 | F | 67.8 | Low | 66.9 | Low | 3 Ų | 3 | 32.4 Ų | 32.4 | 1% | 0.013 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -58.9 | -48.7 | 172.5 | 178.6 | -100.3 | 0 | 0 | 0 | 110.8 | L991 C994 N995 F996 N1001 M1002 L1003 L1027 G1030 P1031 F1050 W1081 | L991-F999 HydrophobicContact CB-CD2 4.05Å; L991-F999 HydrophobicContact CB-CE2 4.07Å; L991-F999 HydrophobicContact CD1-CE2 4.49Å; L991-F999 HydrophobicContact CD2-CD2 3.59Å; L991-F999 HydrophobicContact CD2-CE2 3.99Å; L991-F999 HydrophobicContact CD2-CG 4.42Å; L991-F999 HydrophobicContact CG-CD2 4.35Å; L991-F999 HydrophobicContact CG-CE2 4.42Å; C994-F999 HydrophobicContact CB-CB 4.04Å; N995-F999 WeakPolarHBondContact O-CB 3.4Å; N995-F999 PolarHBondContact O-N 3.26Å; F996-F999 PolarHBondContact O-N 3.06Å; F999-N1001 PolarHBondContact O-N 3.03Å; F999-M1002 PolarHBondContact O-N 3.4Å; F999-L1003 HydrophobicContact CD1-CD1 3.77Å; F999-L1003 HydrophobicContact CD1-CG 4.47Å; F999-L1003 HydrophobicContact CE1-CD1 3.25Å; F999-L1003 HydrophobicContact CE1-CG 4.28Å; F999-L1003 HydrophobicContact CE2-CD1 4.08Å; F999-L1003 HydrophobicContact CE2-CG 4.48Å; F999-L1003 HydrophobicContact CG-CD1 4.39Å; F999-L1003 HydrophobicContact CZ-CD1 3.45Å; F999-L1003 VanDerWaalsContact CZ-CD1 3.45Å; F999-L1003 HydrophobicContact CZ-CG 4.3Å; F999-L1003 WeakPolarHBondContact O-CB 3.47Å; F999-L1003 VanDerWaalsContact O-CG 3.31Å; F999-L1003 WeakPolarHBondContact O-CG 3.44Å; F999-L1003 PolarHBondContact O-N 3.46Å; F999-L1027 HydrophobicContact CZ-CD2 4.4Å; F999-G1030 VanDerWaalsContact CE2-CA 3.48Å; F999-P1031 HydrophobicContact CB-CG 3.85Å; F999-P1031 HydrophobicContact CD1-CG 3.91Å; F999-P1031 HydrophobicContact CD2-CG 4.2Å; F999-P1031 HydrophobicContact CE1-CG 4.45Å; F999-P1031 HydrophobicContact CG-CG 3.74Å; F999-F1050 HydrophobicContact CE1-CE2 4.38Å; F999-W1081 HydrophobicContact CE1-CZ2 4.24Å; F999-W1081 AromaticContact CZ-CZ2 3.89Å; F999-W1081 HydrophobicContact CZ-CZ2 3.89Å |
| 1000 | N | 66.4 | Low | 66.6 | Low | 22 Ų | 22 | 29.9 Ų | 29.9 | 12% | 0.118 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -62.7 | -44.9 | 179 | -164.7 | 43.6 | 0 | 0 | 0 | 111.7 | F996 E997 M1002 L1003 E1004 I1054 | F996-N1000 WeakPolarHBondContact O-CB 3.44Å; F996-N1000 PolarHBondContact O-N 3.38Å; E997-N1000 PolarHBondContact O-N 3.41Å; N1000-M1002 PolarHBondContact O-N 3.43Å; N1000-L1003 PolarHBondContact O-N 2.88Å; N1000-E1004 WeakPolarHBondContact O-CG 3.48Å; N1000-E1004 PolarHBondContact O-N 2.87Å; N1000-I1054 WeakPolarHBondContact OD1-CD1 3.49Å |
| 1001 | N | 67.5 | Low | 66 | Low | 50 Ų | 50 | 37.8 Ų | 37.8 | 27% | 0.267 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -64.2 | -40 | 177.6 | -72 | -29.7 | 0 | 0 | 0 | 112.9 | L953 E997 N998 F999 L1005 | L953-N1001 HydrophobicContact CD1-CB 3.94Å; E997-N1001 WeakPolarHBondContact O-CB 3.48Å; E997-N1001 VanDerWaalsContact O-CG 3.31Å; E997-N1001 PolarHBondContact O-N 3.15Å; E997-N1001 PolarHBondContact O-ND2 2.89Å; N998-N1001 PolarHBondContact O-N 3.32Å; F999-N1001 PolarHBondContact O-N 3.03Å; N1001-L1005 PolarHBondContact O-N 3.46Å; N1001-L1005 VanDerWaalsContact O-N 3.14Å |
| 1002 | M | 73 | Confident | 65.2 | Low | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -65.7 | -42.8 | 175.1 | -107.9 | 172.9 | -81.4 | 0 | 0 | 111.3 | F950 L953 L987 L991 C994 N998 F999 N1000 L1005 L1006 | F950-M1002 HydrophobicContact CD1-CE 3.78Å; F950-M1002 HydrophobicContact CE1-CE 4.18Å; L953-M1002 HydrophobicContact CD1-CB 4.23Å; L953-M1002 HydrophobicContact CD1-CE 4.21Å; L953-M1002 HydrophobicContact CD1-CG 3.65Å; L953-M1002 HydrophobicContact CD2-CB 4.43Å; L953-M1002 HydrophobicContact CD2-CG 3.49Å; L953-M1002 VanDerWaalsContact CD2-CG 3.49Å; L953-M1002 HydrophobicContact CG-CG 4.18Å; L987-M1002 HydrophobicContact CD2-CG 4.45Å; L987-M1002 HydrophobicContact CD2-SD 4.35Å; L991-M1002 HydrophobicContact CD2-CB 3.64Å; L991-M1002 HydrophobicContact CD2-CG 4.44Å; L991-M1002 HydrophobicContact CD2-SD 4.19Å; C994-M1002 HydrophobicContact CB-CE 4.48Å; C994-M1002 WeakPolarHBondContact SG-CE 3.36Å; N998-M1002 HydrophobicContact CB-CE 4.29Å; N998-M1002 WeakPolarHBondContact O-CB 3.39Å; N998-M1002 PolarHBondContact O-N 2.89Å; F999-M1002 PolarHBondContact O-N 3.4Å; N1000-M1002 PolarHBondContact O-N 3.43Å; M1002-L1005 PolarHBondContact O-N 3.22Å; M1002-L1006 VanDerWaalsContact O-CG 3.29Å; M1002-L1006 WeakPolarHBondContact O-CG 3.25Å; M1002-L1006 PolarHBondContact O-N 3.42Å |
| 1003 | L | 70.5 | Confident | 64.7 | Low | 2 Ų | 2 | 41.6 Ų | 41.6 | 1% | 0.01 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -65.2 | -41.4 | 177.7 | -72.7 | -175.7 | 0 | 0 | 0 | 112.5 | L991 F999 N1000 L1005 L1006 V1007 I1023 L1027 F1050 I1054 | L991-L1003 HydrophobicContact CD1-CD2 3.83Å; L991-L1003 HydrophobicContact CD2-CD2 4.19Å; L991-L1003 HydrophobicContact CD2-CG 4.27Å; F999-L1003 HydrophobicContact CD1-CD1 3.77Å; F999-L1003 HydrophobicContact CD1-CG 4.47Å; F999-L1003 HydrophobicContact CE1-CD1 3.25Å; F999-L1003 HydrophobicContact CE1-CG 4.28Å; F999-L1003 HydrophobicContact CE2-CD1 4.08Å; F999-L1003 HydrophobicContact CE2-CG 4.48Å; F999-L1003 HydrophobicContact CG-CD1 4.39Å; F999-L1003 HydrophobicContact CZ-CD1 3.45Å; F999-L1003 VanDerWaalsContact CZ-CD1 3.45Å; F999-L1003 HydrophobicContact CZ-CG 4.3Å; F999-L1003 WeakPolarHBondContact O-CB 3.47Å; F999-L1003 VanDerWaalsContact O-CG 3.31Å; F999-L1003 WeakPolarHBondContact O-CG 3.44Å; F999-L1003 PolarHBondContact O-N 3.46Å; N1000-L1003 PolarHBondContact O-N 2.88Å; L1003-L1005 VanDerWaalsContact C-N 3.3Å; L1003-L1005 PolarHBondContact O-N 3.48Å; L1003-L1006 HydrophobicContact CD2-CD1 4.17Å; L1003-L1006 PolarHBondContact O-N 3.12Å; L1003-V1007 WeakPolarHBondContact O-CB 3.48Å; L1003-V1007 VanDerWaalsContact O-CG2 3.27Å; L1003-V1007 WeakPolarHBondContact O-CG2 3.4Å; L1003-V1007 PolarHBondContact O-N 2.94Å; L1003-I1023 HydrophobicContact CD2-CG2 4.43Å; L1003-L1027 HydrophobicContact CD1-CD2 3.63Å; L1003-L1027 HydrophobicContact CD2-CD2 3.27Å; L1003-L1027 HydrophobicContact CG-CD2 4.1Å; L1003-F1050 HydrophobicContact CD1-CE2 3.79Å; L1003-F1050 HydrophobicContact CD1-CZ 4.03Å; L1003-I1054 HydrophobicContact CB-CD1 3.92Å; L1003-I1054 HydrophobicContact CD1-CD1 4.5Å |
| 1004 | E | 70.1 | Confident | 64.2 | Low | 28 Ų | 28 | 46.2 Ų | 46.2 | 13% | 0.131 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -58.2 | -43.3 | 173.1 | -76.6 | -165.2 | 176.1 | 0 | 0 | 111.5 | K957 N1000 V1007 V1008 I1054 | K957-E1004 IonicContact NZ-OE2 3.57Å; K957-E1004 PolarHBondContact NZ-OE2 3.06Å; N1000-E1004 WeakPolarHBondContact O-CG 3.48Å; N1000-E1004 PolarHBondContact O-N 2.87Å; E1004-V1007 PolarHBondContact O-N 2.8Å; E1004-V1008 VanDerWaalsContact O-CG2 3.3Å; E1004-V1008 WeakPolarHBondContact O-CG2 3.48Å; E1004-V1008 PolarHBondContact O-N 3.48Å; E1004-I1054 HydrophobicContact CG-CD1 4.28Å; E1004-I1054 HydrophobicContact CG-CG1 4.3Å |
| 1005 | L | 72.8 | Confident | 63.7 | Low | 1 Ų | 1 | 49.4 Ų | 49.4 | 1% | 0.005 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -62.2 | -45.5 | 175.4 | 176.3 | 65.5 | 0 | 0 | 0 | 112.1 | L953 V956 K957 N1001 M1002 L1003 V1007 V1008 T1009 | L953-L1005 HydrophobicContact CD2-CB 4.43Å; L953-L1005 HydrophobicContact CD2-CD2 3.44Å; L953-L1005 VanDerWaalsContact CD2-CD2 3.44Å; V956-L1005 HydrophobicContact CB-CD1 4.3Å; V956-L1005 HydrophobicContact CB-CD2 4.34Å; V956-L1005 HydrophobicContact CG1-CD1 3.89Å; V956-L1005 HydrophobicContact CG1-CD2 4.13Å; K957-L1005 HydrophobicContact CB-CD1 3.91Å; N1001-L1005 PolarHBondContact O-N 3.46Å; N1001-L1005 VanDerWaalsContact O-N 3.14Å; M1002-L1005 PolarHBondContact O-N 3.22Å; L1003-L1005 VanDerWaalsContact C-N 3.3Å; L1003-L1005 PolarHBondContact O-N 3.48Å; L1005-V1007 VanDerWaalsContact C-N 3.29Å; L1005-V1007 PolarHBondContact O-N 2.89Å; L1005-V1008 PolarHBondContact O-N 3.01Å; L1005-T1009 HydrophobicContact CD1-CG2 4.07Å; L1005-T1009 HydrophobicContact CG-CG2 4.4Å; L1005-T1009 WeakPolarHBondContact O-CG2 3.26Å; L1005-T1009 PolarHBondContact O-N 3.12Å; L1005-T1009 PolarHBondContact O-OG1 3.48Å |
| 1006 | L | 72.5 | Confident | 63.6 | Low | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61.9 | -37.1 | 178.4 | -72.2 | 168.9 | 0 | 0 | 0 | 111.9 | V984 L987 L991 M1002 L1003 T1009 Q1010 I1023 | V984-L1006 HydrophobicContact CG1-CD2 3.52Å; V984-L1006 HydrophobicContact CG2-CD2 4.48Å; L987-L1006 HydrophobicContact CB-CD2 4.44Å; L987-L1006 HydrophobicContact CD1-CD2 4.08Å; L991-L1006 HydrophobicContact CD1-CD1 4.13Å; M1002-L1006 VanDerWaalsContact O-CG 3.29Å; M1002-L1006 WeakPolarHBondContact O-CG 3.25Å; M1002-L1006 PolarHBondContact O-N 3.42Å; L1003-L1006 HydrophobicContact CD2-CD1 4.17Å; L1003-L1006 PolarHBondContact O-N 3.12Å; L1006-T1009 VanDerWaalsContact CA-OG1 3.31Å; L1006-T1009 WeakPolarHBondContact CA-OG1 3.5Å; L1006-T1009 PolarHBondContact O-OG1 2.86Å; L1006-Q1010 WeakPolarHBondContact O-CB 3.43Å; L1006-Q1010 PolarHBondContact O-N 3.49Å; L1006-Q1010 VanDerWaalsContact O-N 3.13Å; L1006-I1023 HydrophobicContact CB-CD1 3.9Å; L1006-I1023 HydrophobicContact CB-CG1 4.14Å; L1006-I1023 HydrophobicContact CD1-CG1 4.3Å; L1006-I1023 HydrophobicContact CD2-CD1 4.47Å; L1006-I1023 HydrophobicContact CD2-CG1 4.28Å; L1006-I1023 HydrophobicContact CG-CG1 4.47Å |
| 1007 | V | 69.1 | Low | 63.6 | Low | 11 Ų | 11 | 50.2 Ų | 50.2 | 7% | 0.067 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -69.6 | -39.8 | 175.1 | 172 | 0 | 0 | 0 | 0 | 111.6 | L1003 E1004 L1005 I1054 P1057 L1058 | L1003-V1007 WeakPolarHBondContact O-CB 3.48Å; L1003-V1007 VanDerWaalsContact O-CG2 3.27Å; L1003-V1007 WeakPolarHBondContact O-CG2 3.4Å; L1003-V1007 PolarHBondContact O-N 2.94Å; E1004-V1007 PolarHBondContact O-N 2.8Å; L1005-V1007 VanDerWaalsContact C-N 3.29Å; L1005-V1007 PolarHBondContact O-N 2.89Å; V1007-I1054 HydrophobicContact CG2-CG2 4.17Å; V1007-P1057 HydrophobicContact CG1-CB 3.88Å; V1007-P1057 HydrophobicContact CG1-CG 4.28Å; V1007-L1058 HydrophobicContact CG2-CD1 4.13Å; V1007-L1058 HydrophobicContact CG2-CD2 4.18Å; V1007-L1058 HydrophobicContact CG2-CG 4.12Å |
| 1008 | V | 68.5 | Low | 63.6 | Low | 27 Ų | 27 | 51.1 Ų | 51.1 | 16% | 0.164 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -65.7 | -49.1 | 177 | 171 | 0 | 0 | 0 | 0 | 110.9 | K957 T960 E961 E1004 L1005 Q1010 R1011 | K957-V1008 HydrophobicContact CG-CG2 4.44Å; T960-V1008 HydrophobicContact CG2-CG1 3.84Å; E961-V1008 HydrophobicContact CG-CG1 4.18Å; E1004-V1008 VanDerWaalsContact O-CG2 3.3Å; E1004-V1008 WeakPolarHBondContact O-CG2 3.48Å; E1004-V1008 PolarHBondContact O-N 3.48Å; L1005-V1008 PolarHBondContact O-N 3.01Å; V1008-Q1010 VanDerWaalsContact C-N 3.27Å; V1008-Q1010 PolarHBondContact O-N 3.04Å; V1008-R1011 WeakPolarHBondContact O-CB 3.4Å; V1008-R1011 PolarHBondContact O-N 3.24Å |
| 1009 | T | 66.3 | Low | 63.6 | Low | 5 Ų | 5 | 50.7 Ų | 50.7 | 3% | 0.031 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -61 | -32.8 | 178.2 | 47.1 | 0 | 0 | 0 | 0 | 112.9 | T960 V980 L1005 L1006 R1011 D1012 S1013 | T960-T1009 HydrophobicContact CG2-CG2 3.97Å; V980-T1009 HydrophobicContact CG1-CG2 4.41Å; L1005-T1009 HydrophobicContact CD1-CG2 4.07Å; L1005-T1009 HydrophobicContact CG-CG2 4.4Å; L1005-T1009 WeakPolarHBondContact O-CG2 3.26Å; L1005-T1009 PolarHBondContact O-N 3.12Å; L1005-T1009 PolarHBondContact O-OG1 3.48Å; L1006-T1009 VanDerWaalsContact CA-OG1 3.31Å; L1006-T1009 WeakPolarHBondContact CA-OG1 3.5Å; L1006-T1009 PolarHBondContact O-OG1 2.86Å; T1009-R1011 PolarHBondContact O-N 3.34Å; T1009-D1012 PolarHBondContact O-N 3.34Å; T1009-D1012 VanDerWaalsContact O-N 3.16Å; T1009-S1013 PolarHBondContact O-N 3.22Å |
| 1010 | Q | 63.8 | Low | 63.3 | Low | 20 Ų | 20 | 53.5 Ų | 53.5 | 9% | 0.093 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -63.3 | -24.1 | 175.5 | -159.7 | -150.9 | -68.9 | 0 | 0 | 113.8 | L1006 V1008 D1012 R1020 | L1006-Q1010 WeakPolarHBondContact O-CB 3.43Å; L1006-Q1010 PolarHBondContact O-N 3.49Å; L1006-Q1010 VanDerWaalsContact O-N 3.13Å; V1008-Q1010 VanDerWaalsContact C-N 3.27Å; V1008-Q1010 PolarHBondContact O-N 3.04Å; Q1010-D1012 PolarHBondContact O-N 2.98Å; Q1010-R1020 VanDerWaalsContact CD-CG 3.45Å; Q1010-R1020 HydrophobicContact CG-CG 4.1Å |
| 1011 | R | 59.7 | Low | 63.1 | Low | 191 Ų | 191 | 57.1 Ų | 57.1 | 72% | 0.721 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | -25.4 | 177.2 | -71.8 | -174.7 | 176.4 | 174.6 | 1.3 | 112.3 | V1008 T1009 | V1008-R1011 WeakPolarHBondContact O-CB 3.4Å; V1008-R1011 PolarHBondContact O-N 3.24Å; T1009-R1011 PolarHBondContact O-N 3.34Å |
| 1012 | D | 52.9 | Low | 63 | Low | 102 Ų | 102 | 57.8 Ų | 57.8 | 55% | 0.545 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.9 | -24.5 | -173.5 | -64.5 | -22.6 | 0 | 0 | 0 | 113.6 | T1009 Q1010 | T1009-D1012 PolarHBondContact O-N 3.34Å; T1009-D1012 VanDerWaalsContact O-N 3.16Å; Q1010-D1012 PolarHBondContact O-N 2.98Å |
| 1013 | S | 51 | Low | 62.6 | Low | 25 Ų | 25 | 57.9 Ų | 57.9 | 18% | 0.175 | 28% | 0.282 | C | S | . | . | trans | -75.1 | 132.3 | -175.3 | 79.3 | 0 | 0 | 0 | 0 | 114.2 | T1009 S1015 | T1009-S1013 PolarHBondContact O-N 3.22Å; S1013-S1015 VanDerWaalsContact C-N 3.32Å | ||
| 1014 | K | 52.3 | Low | 62.3 | Low | 223 Ų | 223 | 58.3 Ų | 58.3 | 97% | 0.97 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.3 | -16.5 | 173.6 | -73.6 | -176.9 | 179.6 | 175.1 | 0 | 114 | G1016 | K1014-G1016 VanDerWaalsContact C-N 3.31Å; K1014-G1016 PolarHBondContact O-N 2.86Å |
| 1015 | S | 49.9 | Very low | 61.9 | Low | 76 Ų | 76 | 60.6 Ų | 60.6 | 53% | 0.531 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95 | 28.7 | 179.6 | 49.7 | 0 | 0 | 0 | 0 | 113 | S1013 D1017 L1018 L1019 | S1013-S1015 VanDerWaalsContact C-N 3.32Å; S1015-D1017 VanDerWaalsContact C-N 3.28Å; S1015-D1017 PolarHBondContact O-N 3.38Å; S1015-L1018 PolarHBondContact O-N 2.84Å; S1015-L1019 PolarHBondContact O-N 3.12Å |
| 1016 | G | 58.3 | Low | 61.3 | Low | 8 Ų | 8 | 61 Ų | 61 | 8% | 0.082 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -54.2 | -30.7 | -165.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | K1014 R1020 | K1014-G1016 VanDerWaalsContact C-N 3.31Å; K1014-G1016 PolarHBondContact O-N 2.86Å; G1016-R1020 WeakPolarHBondContact O-CB 3.37Å; G1016-R1020 WeakPolarHBondContact O-CD 3.29Å; G1016-R1020 WeakPolarHBondContact O-CG 3.32Å; G1016-R1020 PolarHBondContact O-N 2.96Å; G1016-R1020 PolarHBondContact O-NE 3.38Å |
| 1017 | D | 60.8 | Low | 60.8 | Low | 118 Ų | 118 | 61.2 Ų | 61.2 | 63% | 0.631 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -74.9 | -38.6 | -175.7 | -71.7 | -22 | 0 | 0 | 0 | 114 | S1015 R1020 K1021 | S1015-D1017 VanDerWaalsContact C-N 3.28Å; S1015-D1017 PolarHBondContact O-N 3.38Å; D1017-R1020 IonicContact OD1-CZ 3.64Å; D1017-R1020 IonicContact OD1-NH1 3.28Å; D1017-R1020 PolarHBondContact OD1-NH1 3.2Å; D1017-K1021 WeakPolarHBondContact O-CB 3.48Å; D1017-K1021 PolarHBondContact O-N 3.06Å |
| 1018 | L | 60.5 | Low | 60.3 | Low | 131 Ų | 131 | 61.4 Ų | 61.4 | 69% | 0.686 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -69.4 | -41.9 | 174.7 | -85.2 | 162.1 | 0 | 0 | 0 | 110.8 | S1015 K1021 H1022 | S1015-L1018 PolarHBondContact O-N 2.84Å; L1018-K1021 PolarHBondContact O-N 3.35Å; L1018-H1022 PolarHBondContact O-N 2.85Å |
| 1019 | L | 61.5 | Low | 59.6 | Low | 22 Ų | 22 | 63.6 Ų | 63.6 | 12% | 0.115 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -61.4 | -47.1 | 176.4 | -158.8 | 70.4 | 0 | 0 | 0 | 111.3 | V984 S1015 K1021 H1022 I1023 | V984-L1019 HydrophobicContact CB-CD1 3.53Å; V984-L1019 HydrophobicContact CG1-CD1 3.24Å; V984-L1019 HydrophobicContact CG1-CG 4.06Å; V984-L1019 HydrophobicContact CG2-CD1 3.85Å; S1015-L1019 PolarHBondContact O-N 3.12Å; L1019-K1021 VanDerWaalsContact C-N 3.33Å; L1019-K1021 PolarHBondContact O-N 3.19Å; L1019-H1022 PolarHBondContact O-N 2.96Å; L1019-I1023 HydrophobicContact CD2-CD1 4.47Å; L1019-I1023 HydrophobicContact CG-CD1 4.13Å; L1019-I1023 VanDerWaalsContact O-CG1 3.27Å; L1019-I1023 WeakPolarHBondContact O-CG1 3.25Å; L1019-I1023 PolarHBondContact O-N 2.96Å |
| 1020 | R | 62.7 | Low | 59.3 | Low | 61 Ų | 61 | 63.4 Ų | 63.4 | 23% | 0.23 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -56.5 | -47.5 | 174.5 | -78 | 162.9 | -160.1 | 168.4 | 2.6 | 111.1 | Q1010 G1016 D1017 H1022 I1023 L1024 N1061 | Q1010-R1020 VanDerWaalsContact CD-CG 3.45Å; Q1010-R1020 HydrophobicContact CG-CG 4.1Å; G1016-R1020 WeakPolarHBondContact O-CB 3.37Å; G1016-R1020 WeakPolarHBondContact O-CD 3.29Å; G1016-R1020 WeakPolarHBondContact O-CG 3.32Å; G1016-R1020 PolarHBondContact O-N 2.96Å; G1016-R1020 PolarHBondContact O-NE 3.38Å; D1017-R1020 IonicContact OD1-CZ 3.64Å; D1017-R1020 IonicContact OD1-NH1 3.28Å; D1017-R1020 PolarHBondContact OD1-NH1 3.2Å; R1020-H1022 VanDerWaalsContact C-N 3.3Å; R1020-H1022 PolarHBondContact O-N 3.38Å; R1020-I1023 PolarHBondContact O-N 3.48Å; R1020-L1024 WeakPolarHBondContact O-CB 3.05Å; R1020-L1024 WeakPolarHBondContact O-CD1 3.45Å; R1020-L1024 WeakPolarHBondContact O-CG 3.25Å; R1020-L1024 PolarHBondContact O-N 3.47Å; R1020-N1061 PolarHBondContact NH2-ND2 2.98Å |
| 1021 | K | 62.8 | Low | 58.7 | Low | 99 Ų | 99 | 63 Ų | 63 | 43% | 0.43 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -61.4 | -40.6 | 179 | -168.7 | 177.8 | -179.9 | -179.7 | 0 | 111.1 | D1017 L1018 L1019 L1025 | D1017-K1021 WeakPolarHBondContact O-CB 3.48Å; D1017-K1021 PolarHBondContact O-N 3.06Å; L1018-K1021 PolarHBondContact O-N 3.35Å; L1019-K1021 VanDerWaalsContact C-N 3.33Å; L1019-K1021 PolarHBondContact O-N 3.19Å; K1021-L1025 HydrophobicContact CG-CD1 4.06Å; K1021-L1025 HydrophobicContact CG-CG 4.45Å; K1021-L1025 WeakPolarHBondContact O-CB 3.03Å; K1021-L1025 WeakPolarHBondContact O-CG 2.9Å; K1021-L1025 PolarHBondContact O-N 2.88Å |
| 1022 | H | 63.8 | Low | 58.4 | Low | 64 Ų | 64 | 61.2 Ų | 61.2 | 30% | 0.296 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -66.8 | -45.8 | 175.6 | -109.2 | 94 | 0 | 0 | 0 | 112.9 | E985 L1018 L1019 R1020 L1024 L1025 S1026 | E985-H1022 IonicContact OE1-CE1 3.04Å; E985-H1022 PolarHBondContact OE1-CE1 2.94Å; E985-H1022 VanDerWaalsContact OE1-CE1 3.24Å; E985-H1022 IonicContact OE1-ND1 3.61Å; E985-H1022 IonicContact OE1-NE2 3.37Å; L1018-H1022 PolarHBondContact O-N 2.85Å; L1019-H1022 PolarHBondContact O-N 2.96Å; R1020-H1022 VanDerWaalsContact C-N 3.3Å; R1020-H1022 PolarHBondContact O-N 3.38Å; H1022-L1024 VanDerWaalsContact C-N 3.31Å; H1022-L1024 PolarHBondContact O-N 3.18Å; H1022-L1025 PolarHBondContact O-N 2.85Å; H1022-S1026 WeakPolarHBondContact O-CB 3.37Å; H1022-S1026 PolarHBondContact O-N 3.31Å; H1022-S1026 PolarHBondContact O-OG 3.02Å |
| 1023 | I | 65.8 | Low | 58.4 | Low | 2 Ų | 2 | 61.7 Ų | 61.7 | 1% | 0.01 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -55.2 | -52.3 | 174.7 | -67.6 | 164.5 | 0 | 0 | 0 | 108.4 | L1003 L1006 L1019 R1020 L1025 S1026 L1027 | L1003-I1023 HydrophobicContact CD2-CG2 4.43Å; L1006-I1023 HydrophobicContact CB-CD1 3.9Å; L1006-I1023 HydrophobicContact CB-CG1 4.14Å; L1006-I1023 HydrophobicContact CD1-CG1 4.3Å; L1006-I1023 HydrophobicContact CD2-CD1 4.47Å; L1006-I1023 HydrophobicContact CD2-CG1 4.28Å; L1006-I1023 HydrophobicContact CG-CG1 4.47Å; L1019-I1023 HydrophobicContact CD2-CD1 4.47Å; L1019-I1023 HydrophobicContact CG-CD1 4.13Å; L1019-I1023 VanDerWaalsContact O-CG1 3.27Å; L1019-I1023 WeakPolarHBondContact O-CG1 3.25Å; L1019-I1023 PolarHBondContact O-N 2.96Å; R1020-I1023 PolarHBondContact O-N 3.48Å; I1023-L1025 PolarHBondContact O-N 3.03Å; I1023-S1026 CarbonylContact O-C 3.57Å; I1023-S1026 WeakPolarHBondContact O-CA 3.44Å; I1023-S1026 WeakPolarHBondContact O-CB 3.29Å; I1023-S1026 PolarHBondContact O-N 3.37Å; I1023-L1027 HydrophobicContact CG2-CD2 4.37Å; I1023-L1027 VanDerWaalsContact O-CG 3.3Å; I1023-L1027 WeakPolarHBondContact O-CG 3.27Å; I1023-L1027 PolarHBondContact O-N 3.06Å |
| 1024 | L | 62.8 | Low | 58.5 | Low | 10 Ų | 10 | 60.7 Ų | 60.7 | 5% | 0.052 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -57.7 | -50.8 | 178 | -70.6 | 164.5 | 0 | 0 | 0 | 112.5 | R1020 H1022 S1026 L1027 L1062 N1066 L1070 | R1020-L1024 WeakPolarHBondContact O-CB 3.05Å; R1020-L1024 WeakPolarHBondContact O-CD1 3.45Å; R1020-L1024 WeakPolarHBondContact O-CG 3.25Å; R1020-L1024 PolarHBondContact O-N 3.47Å; H1022-L1024 VanDerWaalsContact C-N 3.31Å; H1022-L1024 PolarHBondContact O-N 3.18Å; L1024-S1026 PolarHBondContact O-N 2.91Å; L1024-S1026 VanDerWaalsContact O-N 3.09Å; L1024-L1027 HydrophobicContact CD2-CD1 3.88Å; L1024-L1027 VanDerWaalsContact O-CB 3.31Å; L1024-L1027 WeakPolarHBondContact O-CB 3.46Å; L1024-L1027 PolarHBondContact O-N 3.23Å; L1024-L1062 HydrophobicContact CD1-CD2 3.61Å; L1024-L1062 HydrophobicContact CD2-CD2 3.45Å; L1024-L1062 VanDerWaalsContact CD2-CD2 3.45Å; L1024-L1062 HydrophobicContact CG-CD2 4.11Å; L1024-N1066 HydrophobicContact CD1-CB 3.93Å; L1024-L1070 HydrophobicContact CB-CD2 4.13Å; L1024-L1070 HydrophobicContact CD2-CD1 3.98Å; L1024-L1070 HydrophobicContact CD2-CD2 4.1Å; L1024-L1070 HydrophobicContact CD2-CG 4.31Å; L1024-L1070 WeakPolarHBondContact O-CD2 3.35Å |
| 1025 | L | 61.6 | Low | 58.4 | Low | 77 Ų | 77 | 50.8 Ų | 50.8 | 40% | 0.403 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -60.1 | -22.3 | 176.7 | -73.5 | 170.6 | 0 | 0 | 0 | 112.8 | K1021 H1022 I1023 S1028 | K1021-L1025 HydrophobicContact CG-CD1 4.06Å; K1021-L1025 HydrophobicContact CG-CG 4.45Å; K1021-L1025 WeakPolarHBondContact O-CB 3.03Å; K1021-L1025 WeakPolarHBondContact O-CG 2.9Å; K1021-L1025 PolarHBondContact O-N 2.88Å; H1022-L1025 PolarHBondContact O-N 2.85Å; I1023-L1025 PolarHBondContact O-N 3.03Å; L1025-S1028 PolarHBondContact O-OG 2.95Å |
| 1026 | S | 61.3 | Low | 58.3 | Low | 10 Ų | 10 | 51.7 Ų | 51.7 | 7% | 0.07 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -89 | -26.1 | 177.9 | -51.6 | 0 | 0 | 0 | 0 | 112.7 | C988 H1022 I1023 L1024 S1028 N1029 | C988-S1026 WeakPolarHBondContact CB-OG 3.25Å; C988-S1026 WeakPolarHBondContact O-CB 2.96Å; H1022-S1026 WeakPolarHBondContact O-CB 3.37Å; H1022-S1026 PolarHBondContact O-N 3.31Å; H1022-S1026 PolarHBondContact O-OG 3.02Å; I1023-S1026 CarbonylContact O-C 3.57Å; I1023-S1026 WeakPolarHBondContact O-CA 3.44Å; I1023-S1026 WeakPolarHBondContact O-CB 3.29Å; I1023-S1026 PolarHBondContact O-N 3.37Å; L1024-S1026 PolarHBondContact O-N 2.91Å; L1024-S1026 VanDerWaalsContact O-N 3.09Å; S1026-S1028 PolarHBondContact O-N 3.45Å; S1026-N1029 PolarHBondContact O-N 3.07Å; S1026-N1029 VanDerWaalsContact O-N 3.08Å |
| 1027 | L | 61.6 | Low | 57.9 | Low | 3 Ų | 3 | 55 Ų | 55 | 2% | 0.016 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -58.6 | -31.8 | 170.6 | -60.7 | -178.6 | 0 | 0 | 0 | 111.6 | F999 L1003 I1023 L1024 N1029 G1030 L1070 W1081 | F999-L1027 HydrophobicContact CZ-CD2 4.4Å; L1003-L1027 HydrophobicContact CD1-CD2 3.63Å; L1003-L1027 HydrophobicContact CD2-CD2 3.27Å; L1003-L1027 HydrophobicContact CG-CD2 4.1Å; I1023-L1027 HydrophobicContact CG2-CD2 4.37Å; I1023-L1027 VanDerWaalsContact O-CG 3.3Å; I1023-L1027 WeakPolarHBondContact O-CG 3.27Å; I1023-L1027 PolarHBondContact O-N 3.06Å; L1024-L1027 HydrophobicContact CD2-CD1 3.88Å; L1024-L1027 VanDerWaalsContact O-CB 3.31Å; L1024-L1027 WeakPolarHBondContact O-CB 3.46Å; L1024-L1027 PolarHBondContact O-N 3.23Å; L1027-N1029 PolarHBondContact O-N 3.37Å; L1027-N1029 VanDerWaalsContact O-N 3.15Å; L1027-G1030 PolarHBondContact O-N 3.2Å; L1027-L1070 HydrophobicContact CB-CD2 3.66Å; L1027-L1070 HydrophobicContact CD1-CD2 4.09Å; L1027-L1070 HydrophobicContact CG-CD2 4.36Å; L1027-W1081 HydrophobicContact CB-CH2 3.95Å; L1027-W1081 HydrophobicContact CB-CZ2 3.44Å; L1027-W1081 VanDerWaalsContact CB-CZ2 3.44Å; L1027-W1081 HydrophobicContact CD1-CH2 3.53Å; L1027-W1081 HydrophobicContact CD1-CZ2 3.97Å; L1027-W1081 HydrophobicContact CD1-CZ3 4.23Å; L1027-W1081 HydrophobicContact CD2-CH2 3.69Å; L1027-W1081 HydrophobicContact CD2-CZ2 3.61Å; L1027-W1081 HydrophobicContact CG-CH2 3.86Å; L1027-W1081 HydrophobicContact CG-CZ2 3.79Å; L1027-W1081 PolarHBondContact O-NE1 3.08Å |
| 1028 | S | 57.7 | Low | 57.2 | Low | 15 Ų | 15 | 50.8 Ų | 50.8 | 11% | 0.105 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -20.4 | 177.5 | 71.1 | 0 | 0 | 0 | 0 | 112.9 | L1025 S1026 P1078 | L1025-S1028 PolarHBondContact O-OG 2.95Å; S1026-S1028 PolarHBondContact O-N 3.45Å; S1028-P1078 VanDerWaalsContact O-CG 3.28Å; S1028-P1078 WeakPolarHBondContact O-CG 3.41Å |
| 1029 | N | 54.9 | Low | 56.8 | Low | 73 Ų | 73 | 48.4 Ų | 48.4 | 39% | 0.39 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.8 | 10.5 | -178.7 | -60.1 | -21.2 | 0 | 0 | 0 | 113.4 | S992 S1026 L1027 | S992-N1029 VanDerWaalsContact CA-O 3.23Å; S992-N1029 WeakPolarHBondContact CA-O 3.32Å; S1026-N1029 PolarHBondContact O-N 3.07Å; S1026-N1029 VanDerWaalsContact O-N 3.08Å; L1027-N1029 PolarHBondContact O-N 3.37Å; L1027-N1029 VanDerWaalsContact O-N 3.15Å |
| 1030 | G | 58.8 | Low | 56.2 | Low | 2 Ų | 2 | 51.1 Ų | 51.1 | 2% | 0.021 | 27% | 0.267 | C | S | . | . | trans | -57.6 | 171.9 | -171.8 | 0 | 0 | 0 | 0 | 0 | 116.9 | F999 L1027 R1032 | F999-G1030 VanDerWaalsContact CE2-CA 3.48Å; L1027-G1030 PolarHBondContact O-N 3.2Å; G1030-R1032 PolarHBondContact O-N 3.17Å; G1030-R1032 VanDerWaalsContact O-N 3.09Å | ||
| 1031 | P | 53.1 | Low | 55.5 | Low | 12 Ų | 12 | 51.3 Ų | 51.3 | 8% | 0.078 | 28% | 0.281 | C | S | . | . | trans | -59.8 | 113.7 | -167.9 | 21.4 | -33.6 | 0 | 0 | 0 | 112.2 | C994 F996 F999 D1033 | C994-P1031 WeakPolarHBondContact O-CB 3.42Å; F996-P1031 HydrophobicContact CB-CG 4.41Å; F996-P1031 HydrophobicContact CD2-CG 4.03Å; F999-P1031 HydrophobicContact CB-CG 3.85Å; F999-P1031 HydrophobicContact CD1-CG 3.91Å; F999-P1031 HydrophobicContact CD2-CG 4.2Å; F999-P1031 HydrophobicContact CE1-CG 4.45Å; F999-P1031 HydrophobicContact CG-CG 3.74Å; P1031-D1033 PolarHBondContact O-N 3.4Å | ||
| 1032 | R | 53.1 | Low | 54.9 | Low | 152 Ų | 152 | 51 Ų | 51 | 57% | 0.574 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | -21.8 | -177.5 | -59.2 | -176.6 | -174.9 | -151.6 | -1.3 | 113.1 | G1030 D1076 | G1030-R1032 PolarHBondContact O-N 3.17Å; G1030-R1032 VanDerWaalsContact O-N 3.09Å; R1032-D1076 IonicContact CZ-OD1 3.76Å; R1032-D1076 IonicContact CZ-OD2 2.81Å; R1032-D1076 IonicContact NH1-OD1 3.97Å; R1032-D1076 PolarHBondContact NH1-OD1 3.35Å; R1032-D1076 IonicContact NH1-OD2 3.41Å; R1032-D1076 IonicContact NH2-OD1 2.64Å; R1032-D1076 PolarHBondContact NH2-OD1 3.46Å; R1032-D1076 IonicContact NH2-OD2 3.68Å; R1032-D1076 PolarHBondContact NH2-OD2 2.87Å |
| 1033 | D | 51.6 | Low | 54.4 | Low | 113 Ų | 113 | 48.9 Ų | 48.9 | 60% | 0.604 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.2 | 1.5 | -171.4 | -72.8 | -26.5 | 0 | 0 | 0 | 115.4 | P1031 C1035 N1036 S1037 | P1031-D1033 PolarHBondContact O-N 3.4Å; D1033-C1035 PolarHBondContact O-N 3.45Å; D1033-C1035 VanDerWaalsContact O-N 3.13Å; D1033-N1036 PolarHBondContact O-N 3.19Å; D1033-S1037 PolarHBondContact O-N 2.87Å |
| 1034 | F | 54.1 | Low | 53.8 | Low | 3 Ų | 3 | 52.4 Ų | 52.4 | 1% | 0.013 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -56.9 | -36.8 | -172.1 | 86.2 | -76 | 0 | 0 | 0 | 113.5 | F996 N1036 S1037 L1038 L1043 S1079 A1080 L1083 | F996-F1034 HydrophobicContact CB-CB 4.47Å; F996-F1034 HydrophobicContact CD2-CB 4.01Å; F996-F1034 HydrophobicContact CG-CB 4.32Å; F1034-N1036 PolarHBondContact O-N 3.21Å; F1034-S1037 PolarHBondContact O-N 3.39Å; F1034-S1037 PolarHBondContact O-OG 3.14Å; F1034-L1038 PolarHBondContact O-N 2.99Å; F1034-L1043 HydrophobicContact CD2-CD1 3.5Å; F1034-L1043 HydrophobicContact CE2-CD1 3.49Å; F1034-L1043 VanDerWaalsContact CE2-CD1 3.49Å; F1034-L1043 HydrophobicContact CE2-CG 4.22Å; F1034-S1079 WeakPolarHBondContact CE1-OG 3.34Å; F1034-A1080 HydrophobicContact CD1-CB 3.49Å; F1034-A1080 VanDerWaalsContact CD1-CB 3.49Å; F1034-A1080 HydrophobicContact CD2-CB 4.26Å; F1034-A1080 HydrophobicContact CE1-CB 3.24Å; F1034-A1080 HydrophobicContact CE2-CB 4.03Å; F1034-A1080 HydrophobicContact CG-CB 4.01Å; F1034-A1080 HydrophobicContact CZ-CB 3.54Å; F1034-A1080 VanDerWaalsContact CZ-N 3.33Å; F1034-L1083 HydrophobicContact CE2-CD2 3.7Å; F1034-L1083 HydrophobicContact CZ-CD2 4.2Å |
| 1035 | C | 50.6 | Low | 53.4 | Low | 15 Ų | 15 | 58.9 Ų | 58.9 | 10% | 0.101 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -65.5 | -29 | 178.7 | -65 | 0 | 0 | 0 | 0 | 112.9 | D1033 N1127 | D1033-C1035 PolarHBondContact O-N 3.45Å; D1033-C1035 VanDerWaalsContact O-N 3.13Å; C1035-N1127 VanDerWaalsContact C-ND2 3.26Å; C1035-N1127 HydrophobicContact CB-CB 3.37Å; C1035-N1127 VanDerWaalsContact CB-CG 3.45Å; C1035-N1127 WeakPolarHBondContact CB-ND2 3.4Å; C1035-N1127 PolarHBondContact O-ND2 3.18Å |
| 1036 | N | 48 | Very low | 53.1 | Low | 96 Ų | 96 | 56.4 Ų | 56.4 | 51% | 0.513 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -85.8 | -21.2 | -174.8 | -64.5 | -20.7 | 0 | 0 | 0 | 111.9 | D1033 F1034 N1127 | D1033-N1036 PolarHBondContact O-N 3.19Å; F1034-N1036 PolarHBondContact O-N 3.21Å; N1036-N1127 PolarHBondContact OD1-ND2 3.23Å; N1036-N1127 VanDerWaalsContact OD1-ND2 3.15Å |
| 1037 | S | 48 | Very low | 53 | Low | 76 Ų | 76 | 55.9 Ų | 55.9 | 53% | 0.531 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -95.1 | -26.3 | -174.6 | 54.6 | 0 | 0 | 0 | 0 | 114.7 | D1033 F1034 | D1033-S1037 PolarHBondContact O-N 2.87Å; F1034-S1037 PolarHBondContact O-N 3.39Å; F1034-S1037 PolarHBondContact O-OG 3.14Å |
| 1038 | L | 47.3 | Very low | 52.7 | Low | 31 Ų | 31 | 60.5 Ų | 60.5 | 16% | 0.162 | 33% | 0.325 | C | S | . | . | S | Bend | trans | -112.5 | 132.8 | -169 | -60.7 | -179.5 | 0 | 0 | 0 | 112.5 | F996 F1034 E1042 L1043 | F996-L1038 HydrophobicContact CD1-CD1 3.63Å; F996-L1038 HydrophobicContact CE1-CD1 3.58Å; F996-L1038 HydrophobicContact CG-CD1 4.49Å; F996-L1038 HydrophobicContact CZ-CD1 4.49Å; F1034-L1038 PolarHBondContact O-N 2.99Å; L1038-E1042 HydrophobicContact CD2-CG 4.17Å; L1038-L1043 HydrophobicContact CB-CD1 4.18Å |
| 1039 | P | 50.8 | Low | 52.8 | Low | 80 Ų | 80 | 61.2 Ų | 61.2 | 52% | 0.519 | 33% | 0.33 | S | S | . | . | trans | -57.1 | 150 | 165.6 | -20.3 | 31.8 | 0 | 0 | 0 | 111.4 | A1041 E1042 L1043 | P1039-A1041 PolarHBondContact O-N 2.8Å; P1039-A1041 VanDerWaalsContact O-N 3.09Å; P1039-E1042 WeakPolarHBondContact CD-OE2 3.47Å; P1039-E1042 PolarHBondContact O-N 3.24Å; P1039-L1043 PolarHBondContact O-N 3.15Å | ||
| 1040 | V | 50.5 | Low | 53 | Low | 79 Ų | 79 | 57.8 Ų | 57.8 | 48% | 0.479 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -51.4 | -39.4 | -176.9 | 179.3 | 0 | 0 | 0 | 0 | 112.6 | L1043 L1044 L1130 | V1040-L1043 VanDerWaalsContact O-CB 3.29Å; V1040-L1043 WeakPolarHBondContact O-CB 3.24Å; V1040-L1043 PolarHBondContact O-N 3.08Å; V1040-L1044 HydrophobicContact CG1-CD1 4.18Å; V1040-L1044 HydrophobicContact CG1-CG 4.43Å; V1040-L1044 WeakPolarHBondContact O-CG 3.34Å; V1040-L1044 PolarHBondContact O-N 3.49Å; V1040-L1130 HydrophobicContact CG2-CD2 4.03Å |
| 1041 | A | 47.1 | Very low | 53 | Low | 65 Ų | 65 | 58 Ų | 58 | 54% | 0.537 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -66.1 | -42.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | P1039 L1043 L1044 Q1045 | P1039-A1041 PolarHBondContact O-N 2.8Å; P1039-A1041 VanDerWaalsContact O-N 3.09Å; A1041-L1043 VanDerWaalsContact C-N 3.33Å; A1041-L1044 WeakPolarHBondContact O-CB 3.33Å; A1041-L1044 PolarHBondContact O-N 2.88Å; A1041-Q1045 PolarHBondContact O-N 3.24Å |
| 1042 | E | 50.8 | Low | 53.3 | Low | 94 Ų | 94 | 62 Ų | 62 | 44% | 0.439 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -69.4 | -35.3 | 177.6 | -168.5 | 176.7 | 175.9 | 0 | 0 | 111.1 | L1038 P1039 L1044 Q1045 T1046 | L1038-E1042 HydrophobicContact CD2-CG 4.17Å; P1039-E1042 WeakPolarHBondContact CD-OE2 3.47Å; P1039-E1042 PolarHBondContact O-N 3.24Å; E1042-L1044 VanDerWaalsContact C-N 3.33Å; E1042-L1044 PolarHBondContact O-N 3.19Å; E1042-Q1045 PolarHBondContact O-N 3.39Å; E1042-T1046 WeakPolarHBondContact O-CB 3.3Å; E1042-T1046 PolarHBondContact O-N 3.39Å; E1042-T1046 PolarHBondContact O-OG1 3.07Å |
| 1043 | L | 53.7 | Low | 53.6 | Low | 18 Ų | 18 | 60.3 Ų | 60.3 | 9% | 0.094 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -57.6 | -46.2 | 169.9 | -159.8 | 93.7 | 0 | 0 | 0 | 110.9 | F1034 L1038 P1039 V1040 A1041 A1047 L1083 | F1034-L1043 HydrophobicContact CD2-CD1 3.5Å; F1034-L1043 HydrophobicContact CE2-CD1 3.49Å; F1034-L1043 VanDerWaalsContact CE2-CD1 3.49Å; F1034-L1043 HydrophobicContact CE2-CG 4.22Å; L1038-L1043 HydrophobicContact CB-CD1 4.18Å; P1039-L1043 PolarHBondContact O-N 3.15Å; V1040-L1043 VanDerWaalsContact O-CB 3.29Å; V1040-L1043 WeakPolarHBondContact O-CB 3.24Å; V1040-L1043 PolarHBondContact O-N 3.08Å; A1041-L1043 VanDerWaalsContact C-N 3.33Å; L1043-A1047 WeakPolarHBondContact O-CB 3.31Å; L1043-A1047 PolarHBondContact O-N 3Å; L1043-L1083 HydrophobicContact CD1-CD2 4.28Å; L1043-L1083 HydrophobicContact CD2-CD1 4.5Å; L1043-L1083 HydrophobicContact CD2-CD2 3.3Å; L1043-L1083 HydrophobicContact CG-CD2 3.58Å |
| 1044 | L | 53 | Low | 54 | Low | 77 Ų | 77 | 55 Ų | 55 | 40% | 0.403 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -65.8 | -47.2 | 177.7 | -70.4 | 169.7 | 0 | 0 | 0 | 112.1 | V1040 A1041 E1042 A1047 K1048 L1087 | V1040-L1044 HydrophobicContact CG1-CD1 4.18Å; V1040-L1044 HydrophobicContact CG1-CG 4.43Å; V1040-L1044 WeakPolarHBondContact O-CG 3.34Å; V1040-L1044 PolarHBondContact O-N 3.49Å; A1041-L1044 WeakPolarHBondContact O-CB 3.33Å; A1041-L1044 PolarHBondContact O-N 2.88Å; E1042-L1044 VanDerWaalsContact C-N 3.33Å; E1042-L1044 PolarHBondContact O-N 3.19Å; L1044-A1047 WeakPolarHBondContact O-CB 3.45Å; L1044-A1047 PolarHBondContact O-N 3.22Å; L1044-K1048 PolarHBondContact O-N 3Å; L1044-L1087 HydrophobicContact CD2-CD1 3.69Å; L1044-L1087 HydrophobicContact CD2-CD2 3.37Å; L1044-L1087 HydrophobicContact CD2-CG 4.17Å |
| 1045 | Q | 53.9 | Low | 54.3 | Low | 146 Ų | 146 | 55.4 Ų | 55.4 | 68% | 0.682 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -65.5 | -43 | 179.6 | -173.3 | 178.8 | 8.5 | 0 | 0 | 111.3 | A1041 E1042 A1047 K1048 S1049 | A1041-Q1045 PolarHBondContact O-N 3.24Å; E1042-Q1045 PolarHBondContact O-N 3.39Å; Q1045-A1047 VanDerWaalsContact C-N 3.33Å; Q1045-K1048 WeakPolarHBondContact O-CB 3.39Å; Q1045-K1048 PolarHBondContact O-N 2.92Å; Q1045-S1049 PolarHBondContact O-N 3.36Å |
| 1046 | T | 56 | Low | 54.8 | Low | 24 Ų | 24 | 62.6 Ų | 62.6 | 15% | 0.147 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -70.1 | -36.2 | 178.8 | -43.2 | 0 | 0 | 0 | 0 | 110.9 | F996 E1042 K1048 S1049 F1050 | F996-T1046 HydrophobicContact CE1-CG2 3.34Å; F996-T1046 HydrophobicContact CZ-CG2 3.43Å; F996-T1046 VanDerWaalsContact CZ-CG2 3.43Å; E1042-T1046 WeakPolarHBondContact O-CB 3.3Å; E1042-T1046 PolarHBondContact O-N 3.39Å; E1042-T1046 PolarHBondContact O-OG1 3.07Å; T1046-K1048 VanDerWaalsContact C-N 3.31Å; T1046-K1048 PolarHBondContact O-N 2.99Å; T1046-S1049 PolarHBondContact O-N 3.15Å; T1046-F1050 WeakPolarHBondContact O-CB 3.34Å; T1046-F1050 PolarHBondContact O-N 3.17Å |
| 1047 | A | 59.1 | Low | 55.3 | Low | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -58.6 | -42 | 171.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | L1043 L1044 Q1045 F1050 G1051 F1084 L1087 | L1043-A1047 WeakPolarHBondContact O-CB 3.31Å; L1043-A1047 PolarHBondContact O-N 3Å; L1044-A1047 WeakPolarHBondContact O-CB 3.45Å; L1044-A1047 PolarHBondContact O-N 3.22Å; Q1045-A1047 VanDerWaalsContact C-N 3.33Å; A1047-F1050 WeakPolarHBondContact O-CB 3.05Å; A1047-F1050 PolarHBondContact O-N 3.25Å; A1047-G1051 PolarHBondContact O-N 3.24Å; A1047-F1084 HydrophobicContact CB-CD1 3.34Å; A1047-F1084 HydrophobicContact CB-CE1 3.59Å; A1047-L1087 HydrophobicContact CB-CB 3.99Å; A1047-L1087 HydrophobicContact CB-CD1 3.29Å; A1047-L1087 HydrophobicContact CB-CG 4.3Å |
| 1048 | K | 55.2 | Low | 55.8 | Low | 100 Ų | 100 | 57.1 Ų | 57.1 | 44% | 0.435 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -63.3 | -50.8 | 174.3 | -175.2 | -177.6 | 175.8 | -175.5 | 0 | 111.4 | L1044 Q1045 T1046 F1050 G1051 E1052 T1091 | L1044-K1048 PolarHBondContact O-N 3Å; Q1045-K1048 WeakPolarHBondContact O-CB 3.39Å; Q1045-K1048 PolarHBondContact O-N 2.92Å; T1046-K1048 VanDerWaalsContact C-N 3.31Å; T1046-K1048 PolarHBondContact O-N 2.99Å; K1048-F1050 VanDerWaalsContact C-N 3.26Å; K1048-F1050 PolarHBondContact O-N 3.41Å; K1048-G1051 PolarHBondContact O-N 3.35Å; K1048-E1052 WeakPolarHBondContact CE-OE1 3.37Å; K1048-E1052 WeakPolarHBondContact O-CG 3.34Å; K1048-E1052 PolarHBondContact O-N 3.43Å; K1048-T1091 HydrophobicContact CG-CG2 4.45Å |
| 1049 | S | 58.3 | Low | 56.5 | Low | 29 Ų | 29 | 56.6 Ų | 56.6 | 20% | 0.203 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -58 | -40.6 | 177 | 178 | 0 | 0 | 0 | 0 | 111.6 | Q1045 T1046 E1052 K1053 | Q1045-S1049 PolarHBondContact O-N 3.36Å; T1046-S1049 PolarHBondContact O-N 3.15Å; S1049-E1052 PolarHBondContact O-N 3.26Å; S1049-K1053 VanDerWaalsContact O-CB 3.27Å; S1049-K1053 WeakPolarHBondContact O-CB 3.39Å; S1049-K1053 WeakPolarHBondContact O-CG 3.42Å; S1049-K1053 PolarHBondContact O-N 3.05Å |
| 1050 | F | 59.8 | Low | 57 | Low | 1 Ų | 1 | 57.3 Ų | 57.3 | 0% | 0.004 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -62.9 | -48.5 | 177 | -169.9 | -84.1 | 0 | 0 | 0 | 111.7 | F999 L1003 T1046 A1047 K1048 E1052 I1054 I1055 W1081 F1084 | F999-F1050 HydrophobicContact CE1-CE2 4.38Å; L1003-F1050 HydrophobicContact CD1-CE2 3.79Å; L1003-F1050 HydrophobicContact CD1-CZ 4.03Å; T1046-F1050 WeakPolarHBondContact O-CB 3.34Å; T1046-F1050 PolarHBondContact O-N 3.17Å; A1047-F1050 WeakPolarHBondContact O-CB 3.05Å; A1047-F1050 PolarHBondContact O-N 3.25Å; K1048-F1050 VanDerWaalsContact C-N 3.26Å; K1048-F1050 PolarHBondContact O-N 3.41Å; F1050-E1052 VanDerWaalsContact C-N 3.31Å; F1050-E1052 PolarHBondContact O-N 2.96Å; F1050-I1054 HydrophobicContact CD2-CB 4.44Å; F1050-I1054 HydrophobicContact CD2-CD1 3.51Å; F1050-I1054 HydrophobicContact CD2-CG1 4.5Å; F1050-I1054 HydrophobicContact CE1-CB 4.39Å; F1050-I1054 HydrophobicContact CE1-CG2 4.2Å; F1050-I1054 HydrophobicContact CE2-CB 4.22Å; F1050-I1054 HydrophobicContact CE2-CD1 3.4Å; F1050-I1054 VanDerWaalsContact CE2-CD1 3.4Å; F1050-I1054 HydrophobicContact CE2-CG1 4.4Å; F1050-I1054 HydrophobicContact CE2-CG2 4.08Å; F1050-I1054 HydrophobicContact CG-CD1 4.34Å; F1050-I1054 HydrophobicContact CZ-CB 4.14Å; F1050-I1054 HydrophobicContact CZ-CD1 4.16Å; F1050-I1054 HydrophobicContact CZ-CG2 3.71Å; F1050-I1054 WeakPolarHBondContact O-CA 3.3Å; F1050-I1054 WeakPolarHBondContact O-CB 3.47Å; F1050-I1054 PolarHBondContact O-N 3.17Å; F1050-I1055 HydrophobicContact CD1-CD1 3.93Å; F1050-I1055 HydrophobicContact CD1-CG1 3.81Å; F1050-I1055 HydrophobicContact CE1-CD1 3.78Å; F1050-I1055 HydrophobicContact CE1-CG1 3.54Å; F1050-I1055 PolarHBondContact O-N 2.65Å; F1050-W1081 HydrophobicContact CD1-CZ3 4.49Å; F1050-W1081 HydrophobicContact CE1-CE3 4.09Å; F1050-W1081 AromaticContact CE1-CH2 3.58Å; F1050-W1081 HydrophobicContact CE1-CH2 3.58Å; F1050-W1081 AromaticContact CE1-CZ3 3.27Å; F1050-W1081 HydrophobicContact CE1-CZ3 3.27Å; F1050-W1081 HydrophobicContact CE2-CH2 4.32Å; F1050-W1081 HydrophobicContact CZ-CE3 4.44Å; F1050-W1081 AromaticContact CZ-CH2 3.2Å; F1050-W1081 HydrophobicContact CZ-CH2 3.2Å; F1050-W1081 HydrophobicContact CZ-CZ2 4.02Å; F1050-W1081 AromaticContact CZ-CZ3 3.47Å; F1050-W1081 HydrophobicContact CZ-CZ3 3.47Å; F1050-W1081 VanDerWaalsContact CZ-CZ3 3.47Å; F1050-F1084 HydrophobicContact CB-CD1 4.32Å; F1050-F1084 HydrophobicContact CB-CE1 4.41Å; F1050-F1084 HydrophobicContact CD1-CB 4.07Å; F1050-F1084 HydrophobicContact CD1-CD1 4.4Å; F1050-F1084 AromaticContact CD1-CD2 3.91Å; F1050-F1084 HydrophobicContact CD1-CD2 3.91Å; F1050-F1084 AromaticContact CD1-CG 3.88Å; F1050-F1084 HydrophobicContact CD1-CG 3.88Å; F1050-F1084 HydrophobicContact CD2-CE2 4.45Å; F1050-F1084 HydrophobicContact CE1-CD2 4.14Å; F1050-F1084 HydrophobicContact CE1-CG 4.46Å; F1050-F1084 HydrophobicContact CG-CD1 4.41Å; F1050-F1084 HydrophobicContact CG-CD2 4.22Å; F1050-F1084 HydrophobicContact CG-CE2 4.38Å; F1050-F1084 HydrophobicContact CG-CG 4.25Å |
| 1051 | G | 59.9 | Low | 57.4 | Low | 6 Ų | 6 | 57.2 Ų | 57.2 | 6% | 0.062 | 29% | 0.291 | C | S | . | . | I | π-helix | trans | -55.7 | -45.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | A1047 K1048 R1056 S1088 | A1047-G1051 PolarHBondContact O-N 3.24Å; K1048-G1051 PolarHBondContact O-N 3.35Å; G1051-R1056 WeakPolarHBondContact O-CB 3.38Å; G1051-R1056 PolarHBondContact O-N 3.22Å; G1051-S1088 WeakPolarHBondContact CA-OG 3.42Å |
| 1052 | E | 57.8 | Low | 58 | Low | 96 Ų | 96 | 54.8 Ų | 54.8 | 45% | 0.449 | 27% | 0.269 | S | S | . | . | I | π-helix | trans | -78.5 | -39.4 | -175.3 | -72.2 | 178.1 | 179.8 | 0 | 0 | 114.6 | K1048 S1049 F1050 R1056 | K1048-E1052 WeakPolarHBondContact CE-OE1 3.37Å; K1048-E1052 WeakPolarHBondContact O-CG 3.34Å; K1048-E1052 PolarHBondContact O-N 3.43Å; S1049-E1052 PolarHBondContact O-N 3.26Å; F1050-E1052 VanDerWaalsContact C-N 3.31Å; F1050-E1052 PolarHBondContact O-N 2.96Å; E1052-R1056 WeakPolarHBondContact O-CB 3.18Å |
| 1053 | K | 60.1 | Low | 58.5 | Low | 117 Ų | 117 | 53.3 Ų | 53.3 | 51% | 0.509 | 27% | 0.266 | S | S | . | . | I | π-helix | trans | -97.1 | -28 | -173.1 | -64.9 | -176.4 | -177.7 | 173.7 | 0 | 113.8 | S1049 P1057 | S1049-K1053 VanDerWaalsContact O-CB 3.27Å; S1049-K1053 WeakPolarHBondContact O-CB 3.39Å; S1049-K1053 WeakPolarHBondContact O-CG 3.42Å; S1049-K1053 PolarHBondContact O-N 3.05Å; K1053-P1057 WeakPolarHBondContact O-CD 3.25Å; K1053-P1057 VanDerWaalsContact O-CG 3.26Å; K1053-P1057 WeakPolarHBondContact O-CG 3.4Å |
| 1054 | I | 60.2 | Low | 58.9 | Low | 2 Ų | 2 | 56.4 Ų | 56.4 | 1% | 0.01 | 28% | 0.28 | C | S | . | . | I | π-helix | trans | -111.1 | -54.9 | -174.2 | -64.5 | 168.8 | 0 | 0 | 0 | 110.3 | N1000 L1003 E1004 V1007 F1050 P1057 L1058 | N1000-I1054 WeakPolarHBondContact OD1-CD1 3.49Å; L1003-I1054 HydrophobicContact CB-CD1 3.92Å; L1003-I1054 HydrophobicContact CD1-CD1 4.5Å; E1004-I1054 HydrophobicContact CG-CD1 4.28Å; E1004-I1054 HydrophobicContact CG-CG1 4.3Å; V1007-I1054 HydrophobicContact CG2-CG2 4.17Å; F1050-I1054 HydrophobicContact CD2-CB 4.44Å; F1050-I1054 HydrophobicContact CD2-CD1 3.51Å; F1050-I1054 HydrophobicContact CD2-CG1 4.5Å; F1050-I1054 HydrophobicContact CE1-CB 4.39Å; F1050-I1054 HydrophobicContact CE1-CG2 4.2Å; F1050-I1054 HydrophobicContact CE2-CB 4.22Å; F1050-I1054 HydrophobicContact CE2-CD1 3.4Å; F1050-I1054 VanDerWaalsContact CE2-CD1 3.4Å; F1050-I1054 HydrophobicContact CE2-CG1 4.4Å; F1050-I1054 HydrophobicContact CE2-CG2 4.08Å; F1050-I1054 HydrophobicContact CG-CD1 4.34Å; F1050-I1054 HydrophobicContact CZ-CB 4.14Å; F1050-I1054 HydrophobicContact CZ-CD1 4.16Å; F1050-I1054 HydrophobicContact CZ-CG2 3.71Å; F1050-I1054 WeakPolarHBondContact O-CA 3.3Å; F1050-I1054 WeakPolarHBondContact O-CB 3.47Å; F1050-I1054 PolarHBondContact O-N 3.17Å; I1054-P1057 WeakPolarHBondContact O-CD 3.42Å; I1054-L1058 HydrophobicContact CG2-CD1 4.17Å; I1054-L1058 WeakPolarHBondContact O-CD1 3.49Å; I1054-L1058 VanDerWaalsContact O-CG 3.25Å; I1054-L1058 WeakPolarHBondContact O-CG 3.24Å; I1054-L1058 PolarHBondContact O-N 3.28Å |
| 1055 | I | 60.5 | Low | 59.4 | Low | 11 Ų | 11 | 59.6 Ų | 59.6 | 6% | 0.056 | 29% | 0.293 | C | S | . | . | I | π-helix | trans | -68.3 | -48.7 | -177.3 | -63.4 | -166.1 | 0 | 0 | 0 | 110.9 | F1050 L1058 W1059 W1081 F1103 | F1050-I1055 HydrophobicContact CD1-CD1 3.93Å; F1050-I1055 HydrophobicContact CD1-CG1 3.81Å; F1050-I1055 HydrophobicContact CE1-CD1 3.78Å; F1050-I1055 HydrophobicContact CE1-CG1 3.54Å; F1050-I1055 PolarHBondContact O-N 2.65Å; I1055-L1058 PolarHBondContact O-N 3.15Å; I1055-L1058 VanDerWaalsContact O-N 3.13Å; I1055-W1059 HydrophobicContact CG2-CD2 4.1Å; I1055-W1059 HydrophobicContact CG2-CE3 3.1Å; I1055-W1059 HydrophobicContact CG2-CH2 4.26Å; I1055-W1059 HydrophobicContact CG2-CZ3 3.21Å; I1055-W1059 WeakPolarHBondContact O-CB 3.24Å; I1055-W1059 PolarHBondContact O-N 3.08Å; I1055-W1081 HydrophobicContact CD1-CZ3 4.38Å; I1055-F1103 HydrophobicContact CG2-CE2 4.42Å; I1055-F1103 HydrophobicContact CG2-CZ 4.34Å |
| 1056 | R | 60.8 | Low | 59.8 | Low | 166 Ų | 166 | 54.5 Ų | 54.5 | 63% | 0.626 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -58 | -41.7 | -175.7 | -178.9 | -175.2 | -175.8 | 178.5 | 3.1 | 113.8 | G1051 E1052 W1059 P1060 | G1051-R1056 WeakPolarHBondContact O-CB 3.38Å; G1051-R1056 PolarHBondContact O-N 3.22Å; E1052-R1056 WeakPolarHBondContact O-CB 3.18Å; R1056-W1059 WeakPolarHBondContact O-CB 3.46Å; R1056-W1059 PolarHBondContact O-N 2.91Å; R1056-P1060 WeakPolarHBondContact O-CD 3.07Å |
| 1057 | P | 58.2 | Low | 60.1 | Low | 41 Ų | 41 | 53.6 Ų | 53.6 | 27% | 0.266 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -70 | -31.8 | 174.5 | -25.2 | 37.8 | 0 | 0 | 0 | 114.8 | V1007 K1053 I1054 W1059 P1060 | V1007-P1057 HydrophobicContact CG1-CB 3.88Å; V1007-P1057 HydrophobicContact CG1-CG 4.28Å; K1053-P1057 WeakPolarHBondContact O-CD 3.25Å; K1053-P1057 VanDerWaalsContact O-CG 3.26Å; K1053-P1057 WeakPolarHBondContact O-CG 3.4Å; I1054-P1057 WeakPolarHBondContact O-CD 3.42Å; P1057-W1059 VanDerWaalsContact C-N 3.31Å; P1057-P1060 WeakPolarHBondContact O-CD 3Å |
| 1058 | L | 59.8 | Low | 60.3 | Low | 16 Ų | 16 | 56.7 Ų | 56.7 | 8% | 0.084 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -73.8 | -27.2 | 175.9 | -64.6 | 173.8 | 0 | 0 | 0 | 111.7 | V1007 I1054 I1055 P1060 N1061 L1062 | V1007-L1058 HydrophobicContact CG2-CD1 4.13Å; V1007-L1058 HydrophobicContact CG2-CD2 4.18Å; V1007-L1058 HydrophobicContact CG2-CG 4.12Å; I1054-L1058 HydrophobicContact CG2-CD1 4.17Å; I1054-L1058 WeakPolarHBondContact O-CD1 3.49Å; I1054-L1058 VanDerWaalsContact O-CG 3.25Å; I1054-L1058 WeakPolarHBondContact O-CG 3.24Å; I1054-L1058 PolarHBondContact O-N 3.28Å; I1055-L1058 PolarHBondContact O-N 3.15Å; I1055-L1058 VanDerWaalsContact O-N 3.13Å; L1058-P1060 VanDerWaalsContact C-CD 3.5Å; L1058-N1061 PolarHBondContact O-N 2.88Å; L1058-L1062 HydrophobicContact CB-CD1 3.98Å; L1058-L1062 HydrophobicContact CB-CG 4.44Å; L1058-L1062 PolarHBondContact O-N 3.44Å |
| 1059 | W | 61.7 | Low | 60.7 | Low | 20 Ų | 20 | 55.1 Ų | 55.1 | 8% | 0.076 | 27% | 0.273 | C | S | . | . | G | 310 helix | trans | -57.5 | -41.6 | -167.1 | -149.6 | -106.8 | 0 | 0 | 0 | 117.5 | I1055 R1056 P1057 N1061 L1062 L1085 F1103 C1107 I1110 | I1055-W1059 HydrophobicContact CG2-CD2 4.1Å; I1055-W1059 HydrophobicContact CG2-CE3 3.1Å; I1055-W1059 HydrophobicContact CG2-CH2 4.26Å; I1055-W1059 HydrophobicContact CG2-CZ3 3.21Å; I1055-W1059 WeakPolarHBondContact O-CB 3.24Å; I1055-W1059 PolarHBondContact O-N 3.08Å; R1056-W1059 WeakPolarHBondContact O-CB 3.46Å; R1056-W1059 PolarHBondContact O-N 2.91Å; P1057-W1059 VanDerWaalsContact C-N 3.31Å; W1059-N1061 PolarHBondContact O-N 3.1Å; W1059-L1062 HydrophobicContact CE3-CD1 3.7Å; W1059-L1062 HydrophobicContact CZ3-CD1 4.11Å; W1059-L1062 PolarHBondContact O-N 2.72Å; W1059-L1085 HydrophobicContact CH2-CD2 4.03Å; W1059-L1085 HydrophobicContact CZ3-CD2 4.41Å; W1059-F1103 HydrophobicContact CB-CD2 4.45Å; W1059-F1103 HydrophobicContact CB-CE2 4.18Å; W1059-F1103 AromaticContact CD1-CD2 3.39Å; W1059-F1103 AromaticContact CD1-CE2 3.7Å; W1059-F1103 HydrophobicContact CD2-CD2 4.06Å; W1059-F1103 AromaticContact CD2-CE2 3.56Å; W1059-F1103 HydrophobicContact CD2-CE2 3.56Å; W1059-F1103 AromaticContact CE2-CD2 3.89Å; W1059-F1103 AromaticContact CE2-CE2 3.67Å; W1059-F1103 HydrophobicContact CE3-CE2 4.18Å; W1059-F1103 AromaticContact CG-CD2 3.73Å; W1059-F1103 HydrophobicContact CG-CD2 3.73Å; W1059-F1103 AromaticContact CG-CE2 3.56Å; W1059-F1103 HydrophobicContact CG-CE2 3.56Å; W1059-F1103 HydrophobicContact CZ2-CE2 4.34Å; W1059-F1103 AromaticContact NE1-CD2 3.44Å; W1059-F1103 AromaticContact NE1-CE2 3.72Å; W1059-C1107 HydrophobicContact CH2-CB 4.5Å; W1059-C1107 HydrophobicContact CZ2-CB 4.08Å; W1059-C1107 WeakPolarHBondContact CZ2-SG 3.46Å; W1059-I1110 HydrophobicContact CH2-CD1 3.62Å; W1059-I1110 HydrophobicContact CZ2-CD1 3.5Å; W1059-I1110 VanDerWaalsContact CZ2-CD1 3.5Å; W1059-I1110 HydrophobicContact CZ3-CD1 4.5Å |
| 1060 | P | 59.9 | Low | 60.7 | Low | 95 Ų | 95 | 54.8 Ų | 54.8 | 62% | 0.617 | 27% | 0.27 | S | S | * | . | G | 310 helix | trans | -56.2 | -23.9 | -179.6 | -25.5 | 35 | 0 | 0 | 0 | 113.4 | R1056 P1057 L1058 | R1056-P1060 WeakPolarHBondContact O-CD 3.07Å; P1057-P1060 WeakPolarHBondContact O-CD 3Å; L1058-P1060 VanDerWaalsContact C-CD 3.5Å |
| 1061 | N | 60.2 | Low | 60.7 | Low | 77 Ų | 77 | 55.2 Ų | 55.2 | 41% | 0.412 | 27% | 0.271 | S | S | . | . | G | 310 helix | trans | -115.5 | 2.4 | -172.4 | -56.5 | -36.4 | 0 | 0 | 0 | 113.6 | R1020 L1058 W1059 T1063 | R1020-N1061 PolarHBondContact NH2-ND2 2.98Å; L1058-N1061 PolarHBondContact O-N 2.88Å; W1059-N1061 PolarHBondContact O-N 3.1Å; N1061-T1063 PolarHBondContact O-N 3.32Å |
| 1062 | L | 58.8 | Low | 60.5 | Low | 15 Ų | 15 | 57.7 Ų | 57.7 | 8% | 0.079 | 29% | 0.291 | C | S | . | . | trans | -79.6 | 116 | 175.2 | -74.9 | 168.5 | 0 | 0 | 0 | 110.5 | L1024 L1058 W1059 N1066 V1067 R1106 | L1024-L1062 HydrophobicContact CD1-CD2 3.61Å; L1024-L1062 HydrophobicContact CD2-CD2 3.45Å; L1024-L1062 VanDerWaalsContact CD2-CD2 3.45Å; L1024-L1062 HydrophobicContact CG-CD2 4.11Å; L1058-L1062 HydrophobicContact CB-CD1 3.98Å; L1058-L1062 HydrophobicContact CB-CG 4.44Å; L1058-L1062 PolarHBondContact O-N 3.44Å; W1059-L1062 HydrophobicContact CE3-CD1 3.7Å; W1059-L1062 HydrophobicContact CZ3-CD1 4.11Å; W1059-L1062 PolarHBondContact O-N 2.72Å; L1062-N1066 HydrophobicContact CD2-CB 4.26Å; L1062-V1067 HydrophobicContact CB-CG2 4.21Å; L1062-V1067 HydrophobicContact CD2-CG2 4.42Å; L1062-R1106 PolarHBondContact O-NH2 3.14Å; L1062-R1106 VanDerWaalsContact O-NH2 3.11Å | ||
| 1063 | T | 61.5 | Low | 60.3 | Low | 62 Ų | 62 | 58.9 Ų | 58.9 | 38% | 0.38 | 30% | 0.301 | S | S | . | . | trans | -82.2 | 158.5 | 168.7 | 65.6 | 0 | 0 | 0 | 0 | 110.1 | N1061 E1065 N1066 V1067 | N1061-T1063 PolarHBondContact O-N 3.32Å; T1063-E1065 VanDerWaalsContact C-N 3.26Å; T1063-E1065 PolarHBondContact O-N 2.81Å; T1063-N1066 WeakPolarHBondContact O-CB 3.15Å; T1063-N1066 PolarHBondContact O-N 3.29Å; T1063-N1066 WeakPolarHBondContact OG1-CB 3.24Å; T1063-N1066 PolarHBondContact OG1-N 3.22Å; T1063-N1066 PolarHBondContact OG1-ND2 3.33Å; T1063-N1066 PolarHBondContact OG1-OD1 2.82Å; T1063-V1067 PolarHBondContact O-N 2.64Å | ||
| 1064 | E | 61.5 | Low | 59.8 | Low | 83 Ų | 83 | 58.8 Ų | 58.8 | 39% | 0.388 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -59 | -38.6 | 176.5 | -170.3 | -173.4 | 152.5 | 0 | 0 | 112 | V1067 K1068 S1113 | E1064-V1067 PolarHBondContact O-N 3.23Å; E1064-K1068 HydrophobicContact CG-CD 4.49Å; E1064-K1068 WeakPolarHBondContact O-CG 3.3Å; E1064-K1068 PolarHBondContact O-N 2.94Å; E1064-K1068 VanDerWaalsContact OE1-CE 3.23Å; E1064-K1068 WeakPolarHBondContact OE1-CE 3.32Å; E1064-K1068 IonicContact OE1-NZ 3.85Å; E1064-K1068 PolarHBondContact OE1-NZ 3.48Å; E1064-S1113 WeakPolarHBondContact OE1-CB 3.41Å; E1064-S1113 PolarHBondContact OE1-OG 2.87Å |
| 1065 | E | 64.4 | Low | 59.4 | Low | 145 Ų | 145 | 62.2 Ų | 62.2 | 68% | 0.678 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -65.4 | -39.3 | 175.9 | -76.7 | 167.3 | 151 | 0 | 0 | 112.7 | T1063 V1067 K1068 M1069 | T1063-E1065 VanDerWaalsContact C-N 3.26Å; T1063-E1065 PolarHBondContact O-N 2.81Å; E1065-V1067 PolarHBondContact O-N 3.5Å; E1065-K1068 PolarHBondContact O-N 3.21Å; E1065-M1069 WeakPolarHBondContact O-CG 3.42Å; E1065-M1069 PolarHBondContact O-N 2.94Å |
| 1066 | N | 62 | Low | 58.8 | Low | 39 Ų | 39 | 66.1 Ų | 66.1 | 21% | 0.209 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -59.6 | -39.7 | 174.8 | -75.8 | -5.5 | 0 | 0 | 0 | 111.4 | L1024 L1062 T1063 M1069 | L1024-N1066 HydrophobicContact CD1-CB 3.93Å; L1062-N1066 HydrophobicContact CD2-CB 4.26Å; T1063-N1066 WeakPolarHBondContact O-CB 3.15Å; T1063-N1066 PolarHBondContact O-N 3.29Å; T1063-N1066 WeakPolarHBondContact OG1-CB 3.24Å; T1063-N1066 PolarHBondContact OG1-N 3.22Å; T1063-N1066 PolarHBondContact OG1-ND2 3.33Å; T1063-N1066 PolarHBondContact OG1-OD1 2.82Å; N1066-M1069 HydrophobicContact CB-CE 4.5Å; N1066-M1069 WeakPolarHBondContact OD1-CE 3.38Å |
| 1067 | V | 63.4 | Low | 58.3 | Low | 4 Ų | 4 | 59.9 Ų | 59.9 | 2% | 0.024 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -75.9 | -40.1 | 177.9 | -175.7 | 0 | 0 | 0 | 0 | 111.2 | L1062 T1063 E1064 E1065 M1069 L1070 F1071 I1110 V1114 | L1062-V1067 HydrophobicContact CB-CG2 4.21Å; L1062-V1067 HydrophobicContact CD2-CG2 4.42Å; T1063-V1067 PolarHBondContact O-N 2.64Å; E1064-V1067 PolarHBondContact O-N 3.23Å; E1065-V1067 PolarHBondContact O-N 3.5Å; V1067-M1069 VanDerWaalsContact C-N 3.25Å; V1067-M1069 PolarHBondContact O-N 3.01Å; V1067-L1070 HydrophobicContact CG1-CD1 4.29Å; V1067-L1070 WeakPolarHBondContact O-CB 3.29Å; V1067-L1070 PolarHBondContact O-N 3.12Å; V1067-F1071 HydrophobicContact CG1-CD2 4.24Å; V1067-F1071 HydrophobicContact CG1-CE2 3.72Å; V1067-F1071 WeakPolarHBondContact O-CD2 3.44Å; V1067-I1110 HydrophobicContact CB-CG2 4.12Å; V1067-I1110 HydrophobicContact CG1-CG2 3.39Å; V1067-I1110 HydrophobicContact CG2-CD1 4.16Å; V1067-I1110 HydrophobicContact CG2-CG2 4.46Å; V1067-V1114 HydrophobicContact CG1-CG1 4.03Å |
| 1068 | K | 62.5 | Low | 58 | Low | 66 Ų | 66 | 58.7 Ų | 58.7 | 29% | 0.287 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -57 | -38.3 | 172.3 | -77.9 | 175.4 | 176.3 | 167.2 | 0 | 112.4 | E1064 E1065 L1070 F1071 A1072 S1113 V1114 | E1064-K1068 HydrophobicContact CG-CD 4.49Å; E1064-K1068 WeakPolarHBondContact O-CG 3.3Å; E1064-K1068 PolarHBondContact O-N 2.94Å; E1064-K1068 VanDerWaalsContact OE1-CE 3.23Å; E1064-K1068 WeakPolarHBondContact OE1-CE 3.32Å; E1064-K1068 IonicContact OE1-NZ 3.85Å; E1064-K1068 PolarHBondContact OE1-NZ 3.48Å; E1065-K1068 PolarHBondContact O-N 3.21Å; K1068-L1070 PolarHBondContact O-N 2.9Å; K1068-F1071 CarbonylContact O-C 3.6Å; K1068-F1071 PolarHBondContact O-N 3.07Å; K1068-A1072 PolarHBondContact O-N 2.83Å; K1068-S1113 WeakPolarHBondContact CE-O 3.34Å; K1068-V1114 HydrophobicContact CG-CG1 4.39Å |
| 1069 | M | 62.8 | Low | 57.7 | Low | 66 Ų | 66 | 59 Ų | 59 | 33% | 0.325 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -59.7 | -32.9 | 175 | -77.4 | -171 | -69.5 | 0 | 0 | 112.9 | E1065 N1066 V1067 F1071 A1072 | E1065-M1069 WeakPolarHBondContact O-CG 3.42Å; E1065-M1069 PolarHBondContact O-N 2.94Å; N1066-M1069 HydrophobicContact CB-CE 4.5Å; N1066-M1069 WeakPolarHBondContact OD1-CE 3.38Å; V1067-M1069 VanDerWaalsContact C-N 3.25Å; V1067-M1069 PolarHBondContact O-N 3.01Å; M1069-F1071 PolarHBondContact O-N 3.38Å; M1069-A1072 PolarHBondContact O-N 2.86Å |
| 1070 | L | 59.5 | Low | 57.4 | Low | 23 Ų | 23 | 58.3 Ų | 58.3 | 12% | 0.12 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -60.8 | -29.2 | 174.1 | -64.1 | 170.7 | 0 | 0 | 0 | 112.5 | L1024 L1027 V1067 K1068 | L1024-L1070 HydrophobicContact CB-CD2 4.13Å; L1024-L1070 HydrophobicContact CD2-CD1 3.98Å; L1024-L1070 HydrophobicContact CD2-CD2 4.1Å; L1024-L1070 HydrophobicContact CD2-CG 4.31Å; L1024-L1070 WeakPolarHBondContact O-CD2 3.35Å; L1027-L1070 HydrophobicContact CB-CD2 3.66Å; L1027-L1070 HydrophobicContact CD1-CD2 4.09Å; L1027-L1070 HydrophobicContact CG-CD2 4.36Å; V1067-L1070 HydrophobicContact CG1-CD1 4.29Å; V1067-L1070 WeakPolarHBondContact O-CB 3.29Å; V1067-L1070 PolarHBondContact O-N 3.12Å; K1068-L1070 PolarHBondContact O-N 2.9Å |
| 1071 | F | 60.2 | Low | 57.3 | Low | 9 Ų | 9 | 54.5 Ų | 54.5 | 4% | 0.039 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107.2 | 1.2 | -177.6 | -57.5 | -77.3 | 0 | 0 | 0 | 113.2 | V1067 K1068 M1069 F1077 W1081 L1085 V1114 C1117 | V1067-F1071 HydrophobicContact CG1-CD2 4.24Å; V1067-F1071 HydrophobicContact CG1-CE2 3.72Å; V1067-F1071 WeakPolarHBondContact O-CD2 3.44Å; K1068-F1071 CarbonylContact O-C 3.6Å; K1068-F1071 PolarHBondContact O-N 3.07Å; M1069-F1071 PolarHBondContact O-N 3.38Å; F1071-F1077 AromaticContact CD1-CE2 3.73Å; F1071-F1077 HydrophobicContact CD1-CE2 3.73Å; F1071-F1077 HydrophobicContact CD1-CZ 4.3Å; F1071-F1077 HydrophobicContact CE1-CE2 4.24Å; F1071-F1077 HydrophobicContact CE1-CZ 4.37Å; F1071-W1081 HydrophobicContact CE1-CB 4.17Å; F1071-W1081 HydrophobicContact CZ-CB 4.29Å; F1071-L1085 HydrophobicContact CE2-CD1 4.06Å; F1071-L1085 HydrophobicContact CZ-CD1 3.56Å; F1071-V1114 HydrophobicContact CD2-CB 3.6Å; F1071-V1114 HydrophobicContact CD2-CG1 3.42Å; F1071-V1114 VanDerWaalsContact CD2-CG1 3.42Å; F1071-V1114 HydrophobicContact CD2-CG2 4.07Å; F1071-V1114 HydrophobicContact CE2-CB 3.92Å; F1071-V1114 HydrophobicContact CE2-CG1 3.74Å; F1071-V1114 HydrophobicContact CE2-CG2 3.88Å; F1071-V1114 HydrophobicContact CG-CB 4.1Å; F1071-V1114 HydrophobicContact CG-CG1 4.33Å; F1071-V1114 HydrophobicContact CZ-CG2 4.27Å; F1071-C1117 HydrophobicContact CB-CB 3.59Å |
| 1072 | A | 55.7 | Low | 57.5 | Low | 58 Ų | 58 | 51.1 Ų | 51.1 | 48% | 0.479 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76 | -28.7 | -172.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | K1068 M1069 Q1074 | K1068-A1072 PolarHBondContact O-N 2.83Å; M1069-A1072 PolarHBondContact O-N 2.86Å; A1072-Q1074 PolarHBondContact O-N 3.5Å |
| 1073 | N | 53.6 | Low | 57.6 | Low | 122 Ų | 122 | 50.6 Ų | 50.6 | 65% | 0.652 | 28% | 0.283 | S | S | * | . | trans | -79.6 | 85.1 | 174.6 | -92 | -16.4 | 0 | 0 | 0 | 110.2 | G1075 | N1073-G1075 PolarHBondContact O-N 3.44Å; N1073-G1075 VanDerWaalsContact O-N 3.11Å | ||
| 1074 | Q | 48.9 | Very low | 57.6 | Low | 115 Ų | 115 | 47.8 Ų | 47.8 | 54% | 0.537 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -23.2 | -174.4 | -65.1 | -179.3 | 0.5 | 0 | 0 | 114.6 | A1072 Q1119 | A1072-Q1074 PolarHBondContact O-N 3.5Å; Q1074-Q1119 PolarHBondContact O-OE1 2.85Å |
| 1075 | G | 50.6 | Low | 57.7 | Low | 74 Ų | 74 | 44.3 Ų | 44.3 | 76% | 0.763 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.7 | -21.4 | -170.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | N1073 | N1073-G1075 PolarHBondContact O-N 3.44Å; N1073-G1075 VanDerWaalsContact O-N 3.11Å |
| 1076 | D | 48.2 | Very low | 57.7 | Low | 92 Ų | 92 | 37.5 Ų | 37.5 | 49% | 0.492 | 22% | 0.218 | S | C | . | . | S | Bend | trans | -141.2 | 61.5 | -170.1 | -87.5 | -36.7 | 0 | 0 | 0 | 111.2 | R1032 P1078 | R1032-D1076 IonicContact CZ-OD1 3.76Å; R1032-D1076 IonicContact CZ-OD2 2.81Å; R1032-D1076 IonicContact NH1-OD1 3.97Å; R1032-D1076 PolarHBondContact NH1-OD1 3.35Å; R1032-D1076 IonicContact NH1-OD2 3.41Å; R1032-D1076 IonicContact NH2-OD1 2.64Å; R1032-D1076 PolarHBondContact NH2-OD1 3.46Å; R1032-D1076 IonicContact NH2-OD2 3.68Å; R1032-D1076 PolarHBondContact NH2-OD2 2.87Å; D1076-P1078 WeakPolarHBondContact O-CD 3.3Å |
| 1077 | F | 50.9 | Low | 57.7 | Low | 36 Ų | 36 | 36.1 Ų | 36.1 | 16% | 0.158 | 21% | 0.211 | C | C | . | . | trans | -67.9 | 121.4 | -175.6 | -169.1 | -94.1 | 0 | 0 | 0 | 113.3 | F1071 S1079 L1082 V1118 Q1119 | F1071-F1077 AromaticContact CD1-CE2 3.73Å; F1071-F1077 HydrophobicContact CD1-CE2 3.73Å; F1071-F1077 HydrophobicContact CD1-CZ 4.3Å; F1071-F1077 HydrophobicContact CE1-CE2 4.24Å; F1071-F1077 HydrophobicContact CE1-CZ 4.37Å; F1077-S1079 PolarHBondContact O-N 3.42Å; F1077-L1082 HydrophobicContact CE1-CB 4.28Å; F1077-L1082 HydrophobicContact CZ-CB 4.07Å; F1077-L1082 HydrophobicContact CZ-CD2 4.36Å; F1077-V1118 HydrophobicContact CE1-CG1 4.22Å; F1077-V1118 HydrophobicContact CE2-CB 4.18Å; F1077-V1118 HydrophobicContact CE2-CG1 4.08Å; F1077-V1118 HydrophobicContact CE2-CG2 4.14Å; F1077-V1118 HydrophobicContact CZ-CB 4.16Å; F1077-V1118 HydrophobicContact CZ-CG1 3.67Å; F1077-V1118 HydrophobicContact CZ-CG2 4Å; F1077-Q1119 WeakPolarHBondContact CB-O 3.37Å; F1077-Q1119 WeakPolarHBondContact CD1-O 3.33Å; F1077-Q1119 VanDerWaalsContact CG-O 3.24Å; F1077-Q1119 WeakPolarHBondContact CG-O 3.22Å | ||
| 1078 | P | 51.4 | Low | 57.5 | Low | 16 Ų | 16 | 36.2 Ų | 36.2 | 10% | 0.104 | 21% | 0.211 | C | C | . | . | trans | -86.1 | 107.2 | 170.2 | 0.8 | 18 | 0 | 0 | 0 | 109.6 | S1028 D1076 A1080 W1081 | S1028-P1078 VanDerWaalsContact O-CG 3.28Å; S1028-P1078 WeakPolarHBondContact O-CG 3.41Å; D1076-P1078 WeakPolarHBondContact O-CD 3.3Å; P1078-A1080 PolarHBondContact O-N 3.26Å; P1078-W1081 PolarHBondContact O-N 3.41Å | ||
| 1079 | S | 54.1 | Low | 57.5 | Low | 21 Ų | 21 | 33 Ų | 33 | 15% | 0.147 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -50.6 | -20 | 174.2 | 43.3 | 0 | 0 | 0 | 0 | 114.4 | F1034 F1077 W1081 L1083 L1131 | F1034-S1079 WeakPolarHBondContact CE1-OG 3.34Å; F1077-S1079 PolarHBondContact O-N 3.42Å; S1079-W1081 PolarHBondContact O-N 3.2Å; S1079-L1083 PolarHBondContact O-N 2.95Å; S1079-L1131 WeakPolarHBondContact O-CD1 3.36Å |
| 1080 | A | 54.7 | Low | 57.2 | Low | 6 Ų | 6 | 33 Ų | 33 | 5% | 0.05 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -60 | -42.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | F1034 P1078 L1083 F1084 | F1034-A1080 HydrophobicContact CD1-CB 3.49Å; F1034-A1080 VanDerWaalsContact CD1-CB 3.49Å; F1034-A1080 HydrophobicContact CD2-CB 4.26Å; F1034-A1080 HydrophobicContact CE1-CB 3.24Å; F1034-A1080 HydrophobicContact CE2-CB 4.03Å; F1034-A1080 HydrophobicContact CG-CB 4.01Å; F1034-A1080 HydrophobicContact CZ-CB 3.54Å; F1034-A1080 VanDerWaalsContact CZ-N 3.33Å; P1078-A1080 PolarHBondContact O-N 3.26Å; A1080-L1083 WeakPolarHBondContact O-CB 3.26Å; A1080-L1083 PolarHBondContact O-N 2.82Å; A1080-F1084 HydrophobicContact CB-CD2 4.16Å; A1080-F1084 HydrophobicContact CB-CE2 3.74Å; A1080-F1084 HydrophobicContact CB-CZ 4.47Å; A1080-F1084 WeakPolarHBondContact O-CB 3.45Å; A1080-F1084 WeakPolarHBondContact O-CD2 3.28Å; A1080-F1084 WeakPolarHBondContact O-CG 3.29Å; A1080-F1084 PolarHBondContact O-N 3.3Å |
| 1081 | W | 59.3 | Low | 56.9 | Low | 16 Ų | 16 | 34.5 Ų | 34.5 | 6% | 0.061 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -74.2 | -40.5 | -171.2 | -74.3 | 110.8 | 0 | 0 | 0 | 112.9 | F999 L1027 F1050 I1055 F1071 P1078 S1079 L1083 F1084 L1085 | F999-W1081 HydrophobicContact CE1-CZ2 4.24Å; F999-W1081 AromaticContact CZ-CZ2 3.89Å; F999-W1081 HydrophobicContact CZ-CZ2 3.89Å; L1027-W1081 HydrophobicContact CB-CH2 3.95Å; L1027-W1081 HydrophobicContact CB-CZ2 3.44Å; L1027-W1081 VanDerWaalsContact CB-CZ2 3.44Å; L1027-W1081 HydrophobicContact CD1-CH2 3.53Å; L1027-W1081 HydrophobicContact CD1-CZ2 3.97Å; L1027-W1081 HydrophobicContact CD1-CZ3 4.23Å; L1027-W1081 HydrophobicContact CD2-CH2 3.69Å; L1027-W1081 HydrophobicContact CD2-CZ2 3.61Å; L1027-W1081 HydrophobicContact CG-CH2 3.86Å; L1027-W1081 HydrophobicContact CG-CZ2 3.79Å; L1027-W1081 PolarHBondContact O-NE1 3.08Å; F1050-W1081 HydrophobicContact CD1-CZ3 4.49Å; F1050-W1081 HydrophobicContact CE1-CE3 4.09Å; F1050-W1081 AromaticContact CE1-CH2 3.58Å; F1050-W1081 HydrophobicContact CE1-CH2 3.58Å; F1050-W1081 AromaticContact CE1-CZ3 3.27Å; F1050-W1081 HydrophobicContact CE1-CZ3 3.27Å; F1050-W1081 HydrophobicContact CE2-CH2 4.32Å; F1050-W1081 HydrophobicContact CZ-CE3 4.44Å; F1050-W1081 AromaticContact CZ-CH2 3.2Å; F1050-W1081 HydrophobicContact CZ-CH2 3.2Å; F1050-W1081 HydrophobicContact CZ-CZ2 4.02Å; F1050-W1081 AromaticContact CZ-CZ3 3.47Å; F1050-W1081 HydrophobicContact CZ-CZ3 3.47Å; F1050-W1081 VanDerWaalsContact CZ-CZ3 3.47Å; I1055-W1081 HydrophobicContact CD1-CZ3 4.38Å; F1071-W1081 HydrophobicContact CE1-CB 4.17Å; F1071-W1081 HydrophobicContact CZ-CB 4.29Å; P1078-W1081 PolarHBondContact O-N 3.41Å; S1079-W1081 PolarHBondContact O-N 3.2Å; W1081-L1083 VanDerWaalsContact C-N 3.26Å; W1081-L1083 PolarHBondContact O-N 2.86Å; W1081-F1084 HydrophobicContact CE3-CD2 4.48Å; W1081-F1084 PolarHBondContact O-N 2.64Å; W1081-L1085 WeakPolarHBondContact O-CB 3.45Å; W1081-L1085 WeakPolarHBondContact O-CG 3.47Å; W1081-L1085 PolarHBondContact O-N 2.84Å |
| 1082 | L | 62.9 | Low | 56.3 | Low | 6 Ų | 6 | 35.3 Ų | 35.3 | 3% | 0.031 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61.7 | -41.5 | 171.6 | -173 | 65.8 | 0 | 0 | 0 | 109.9 | F1077 L1085 V1086 L1111 V1118 F1120 L1131 | F1077-L1082 HydrophobicContact CE1-CB 4.28Å; F1077-L1082 HydrophobicContact CZ-CB 4.07Å; F1077-L1082 HydrophobicContact CZ-CD2 4.36Å; L1082-L1085 PolarHBondContact O-N 2.84Å; L1082-V1086 HydrophobicContact CD1-CG2 4.36Å; L1082-V1086 HydrophobicContact CG-CG2 4.33Å; L1082-V1086 VanDerWaalsContact O-CB 3.31Å; L1082-V1086 WeakPolarHBondContact O-CB 3.35Å; L1082-V1086 WeakPolarHBondContact O-CG2 3.47Å; L1082-V1086 PolarHBondContact O-N 2.97Å; L1082-L1111 HydrophobicContact CD1-CD2 3.93Å; L1082-V1118 HydrophobicContact CD1-CG2 4.02Å; L1082-V1118 HydrophobicContact CD2-CG1 3.75Å; L1082-V1118 HydrophobicContact CD2-CG2 4.21Å; L1082-F1120 HydrophobicContact CD2-CE1 4.24Å; L1082-F1120 HydrophobicContact CD2-CZ 3.73Å; L1082-L1131 HydrophobicContact CB-CD2 4.25Å; L1082-L1131 HydrophobicContact CD2-CD2 3.94Å; L1082-L1131 HydrophobicContact CD2-CG 4.4Å; L1082-L1131 HydrophobicContact CG-CD2 4.49Å |
| 1083 | L | 61.8 | Low | 55.8 | Low | 4 Ų | 4 | 36.2 Ų | 36.2 | 2% | 0.021 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -59.5 | -51.5 | 175.7 | -170.4 | 71.2 | 0 | 0 | 0 | 110.7 | F1034 L1043 S1079 A1080 W1081 L1085 V1086 L1087 L1131 L1134 | F1034-L1083 HydrophobicContact CE2-CD2 3.7Å; F1034-L1083 HydrophobicContact CZ-CD2 4.2Å; L1043-L1083 HydrophobicContact CD1-CD2 4.28Å; L1043-L1083 HydrophobicContact CD2-CD1 4.5Å; L1043-L1083 HydrophobicContact CD2-CD2 3.3Å; L1043-L1083 HydrophobicContact CG-CD2 3.58Å; S1079-L1083 PolarHBondContact O-N 2.95Å; A1080-L1083 WeakPolarHBondContact O-CB 3.26Å; A1080-L1083 PolarHBondContact O-N 2.82Å; W1081-L1083 VanDerWaalsContact C-N 3.26Å; W1081-L1083 PolarHBondContact O-N 2.86Å; L1083-L1085 VanDerWaalsContact C-N 3.31Å; L1083-L1085 PolarHBondContact O-N 3.18Å; L1083-V1086 PolarHBondContact O-N 3.38Å; L1083-L1087 HydrophobicContact CD1-CD1 3.82Å; L1083-L1087 HydrophobicContact CD1-CG 4.05Å; L1083-L1087 HydrophobicContact CD2-CD1 3.99Å; L1083-L1087 HydrophobicContact CG-CD1 3.57Å; L1083-L1087 HydrophobicContact CG-CG 4.07Å; L1083-L1087 VanDerWaalsContact O-CB 3.3Å; L1083-L1087 WeakPolarHBondContact O-CB 3.24Å; L1083-L1087 VanDerWaalsContact O-CG 3.25Å; L1083-L1087 WeakPolarHBondContact O-CG 3.4Å; L1083-L1087 PolarHBondContact O-N 2.98Å; L1083-L1131 HydrophobicContact CB-CD1 3.28Å; L1083-L1131 HydrophobicContact CD1-CD1 3.53Å; L1083-L1131 HydrophobicContact CG-CD1 3.93Å; L1083-L1134 HydrophobicContact CD1-CD1 3.87Å |
| 1084 | F | 61.5 | Low | 55 | Low | 3 Ų | 3 | 35.8 Ų | 35.8 | 1% | 0.013 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -61.4 | -40 | -178.3 | -67.5 | -40.4 | 0 | 0 | 0 | 111.7 | F996 A1047 F1050 A1080 W1081 S1088 | F996-F1084 HydrophobicContact CE2-CE2 4.15Å; F996-F1084 AromaticContact CE2-CZ 3.63Å; F996-F1084 HydrophobicContact CE2-CZ 3.63Å; F996-F1084 HydrophobicContact CZ-CE1 4.47Å; F996-F1084 AromaticContact CZ-CZ 3.74Å; F996-F1084 HydrophobicContact CZ-CZ 3.74Å; A1047-F1084 HydrophobicContact CB-CD1 3.34Å; A1047-F1084 HydrophobicContact CB-CE1 3.59Å; F1050-F1084 HydrophobicContact CB-CD1 4.32Å; F1050-F1084 HydrophobicContact CB-CE1 4.41Å; F1050-F1084 HydrophobicContact CD1-CB 4.07Å; F1050-F1084 HydrophobicContact CD1-CD1 4.4Å; F1050-F1084 AromaticContact CD1-CD2 3.91Å; F1050-F1084 HydrophobicContact CD1-CD2 3.91Å; F1050-F1084 AromaticContact CD1-CG 3.88Å; F1050-F1084 HydrophobicContact CD1-CG 3.88Å; F1050-F1084 HydrophobicContact CD2-CE2 4.45Å; F1050-F1084 HydrophobicContact CE1-CD2 4.14Å; F1050-F1084 HydrophobicContact CE1-CG 4.46Å; F1050-F1084 HydrophobicContact CG-CD1 4.41Å; F1050-F1084 HydrophobicContact CG-CD2 4.22Å; F1050-F1084 HydrophobicContact CG-CE2 4.38Å; F1050-F1084 HydrophobicContact CG-CG 4.25Å; A1080-F1084 HydrophobicContact CB-CD2 4.16Å; A1080-F1084 HydrophobicContact CB-CE2 3.74Å; A1080-F1084 HydrophobicContact CB-CZ 4.47Å; A1080-F1084 WeakPolarHBondContact O-CB 3.45Å; A1080-F1084 WeakPolarHBondContact O-CD2 3.28Å; A1080-F1084 WeakPolarHBondContact O-CG 3.29Å; A1080-F1084 PolarHBondContact O-N 3.3Å; W1081-F1084 HydrophobicContact CE3-CD2 4.48Å; W1081-F1084 PolarHBondContact O-N 2.64Å; F1084-S1088 WeakPolarHBondContact O-CB 3.42Å; F1084-S1088 PolarHBondContact O-N 3.31Å; F1084-S1088 PolarHBondContact O-OG 3.38Å |
| 1085 | L | 64.1 | Low | 54.2 | Low | 9 Ų | 9 | 33.9 Ų | 33.9 | 5% | 0.047 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -65.1 | -49.3 | 174.3 | -78 | 164.6 | 0 | 0 | 0 | 111.9 | W1059 F1071 W1081 L1082 L1083 S1088 T1089 L1111 | W1059-L1085 HydrophobicContact CH2-CD2 4.03Å; W1059-L1085 HydrophobicContact CZ3-CD2 4.41Å; F1071-L1085 HydrophobicContact CE2-CD1 4.06Å; F1071-L1085 HydrophobicContact CZ-CD1 3.56Å; W1081-L1085 WeakPolarHBondContact O-CB 3.45Å; W1081-L1085 WeakPolarHBondContact O-CG 3.47Å; W1081-L1085 PolarHBondContact O-N 2.84Å; L1082-L1085 PolarHBondContact O-N 2.84Å; L1083-L1085 VanDerWaalsContact C-N 3.31Å; L1083-L1085 PolarHBondContact O-N 3.18Å; L1085-S1088 PolarHBondContact O-N 2.79Å; L1085-T1089 PolarHBondContact O-N 3.23Å; L1085-T1089 PolarHBondContact O-OG1 3.33Å; L1085-L1111 HydrophobicContact CB-CD2 4.02Å; L1085-L1111 HydrophobicContact CB-CG 4.37Å |
| 1086 | V | 63.2 | Low | 53.2 | Low | 3 Ų | 3 | 35.1 Ų | 35.1 | 2% | 0.018 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -59.2 | -48.4 | 179 | 166.2 | 0 | 0 | 0 | 0 | 110.8 | L1082 L1083 T1089 L1090 L1111 L1134 A1135 L1138 | L1082-V1086 HydrophobicContact CD1-CG2 4.36Å; L1082-V1086 HydrophobicContact CG-CG2 4.33Å; L1082-V1086 VanDerWaalsContact O-CB 3.31Å; L1082-V1086 WeakPolarHBondContact O-CB 3.35Å; L1082-V1086 WeakPolarHBondContact O-CG2 3.47Å; L1082-V1086 PolarHBondContact O-N 2.97Å; L1083-V1086 PolarHBondContact O-N 3.38Å; V1086-T1089 WeakPolarHBondContact CA-OG1 3.25Å; V1086-T1089 PolarHBondContact O-N 3.44Å; V1086-T1089 PolarHBondContact O-OG1 3.25Å; V1086-L1090 HydrophobicContact CG1-CD1 4.11Å; V1086-L1090 WeakPolarHBondContact O-CG 3.4Å; V1086-L1090 PolarHBondContact O-N 3Å; V1086-L1111 HydrophobicContact CG2-CD2 4.23Å; V1086-L1134 HydrophobicContact CG1-CB 4.49Å; V1086-A1135 HydrophobicContact CG2-CB 4.44Å; V1086-L1138 HydrophobicContact CB-CD2 4.21Å; V1086-L1138 HydrophobicContact CG1-CB 4.41Å; V1086-L1138 HydrophobicContact CG1-CD2 3.88Å; V1086-L1138 HydrophobicContact CG2-CD2 4.11Å |
| 1087 | L | 61.9 | Low | 52.5 | Low | 10 Ų | 10 | 34.9 Ų | 34.9 | 5% | 0.052 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -70 | -35.8 | 179.1 | -66.4 | 180 | 0 | 0 | 0 | 112.7 | L1044 A1047 L1083 T1089 L1090 T1091 | L1044-L1087 HydrophobicContact CD2-CD1 3.69Å; L1044-L1087 HydrophobicContact CD2-CD2 3.37Å; L1044-L1087 HydrophobicContact CD2-CG 4.17Å; A1047-L1087 HydrophobicContact CB-CB 3.99Å; A1047-L1087 HydrophobicContact CB-CD1 3.29Å; A1047-L1087 HydrophobicContact CB-CG 4.3Å; L1083-L1087 HydrophobicContact CD1-CD1 3.82Å; L1083-L1087 HydrophobicContact CD1-CG 4.05Å; L1083-L1087 HydrophobicContact CD2-CD1 3.99Å; L1083-L1087 HydrophobicContact CG-CD1 3.57Å; L1083-L1087 HydrophobicContact CG-CG 4.07Å; L1083-L1087 VanDerWaalsContact O-CB 3.3Å; L1083-L1087 WeakPolarHBondContact O-CB 3.24Å; L1083-L1087 VanDerWaalsContact O-CG 3.25Å; L1083-L1087 WeakPolarHBondContact O-CG 3.4Å; L1083-L1087 PolarHBondContact O-N 2.98Å; L1087-T1089 VanDerWaalsContact C-N 3.3Å; L1087-T1089 PolarHBondContact O-N 3.45Å; L1087-L1090 HydrophobicContact CD2-CD1 4.21Å; L1087-L1090 PolarHBondContact O-N 3.43Å; L1087-T1091 WeakPolarHBondContact O-CB 3.5Å; L1087-T1091 WeakPolarHBondContact O-CG2 3.49Å; L1087-T1091 PolarHBondContact O-N 2.9Å; L1087-T1091 PolarHBondContact O-OG1 3.13Å |
| 1088 | S | 60.5 | Low | 51.9 | Low | 5 Ų | 5 | 42 Ų | 42 | 4% | 0.035 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -65 | -35 | 173.3 | -63.8 | 0 | 0 | 0 | 0 | 111.7 | G1051 F1084 L1085 T1091 A1092 | G1051-S1088 WeakPolarHBondContact CA-OG 3.42Å; F1084-S1088 WeakPolarHBondContact O-CB 3.42Å; F1084-S1088 PolarHBondContact O-N 3.31Å; F1084-S1088 PolarHBondContact O-OG 3.38Å; L1085-S1088 PolarHBondContact O-N 2.79Å; S1088-T1091 PolarHBondContact O-OG1 3.22Å; S1088-A1092 VanDerWaalsContact O-CB 3.31Å; S1088-A1092 WeakPolarHBondContact O-CB 3.48Å; S1088-A1092 PolarHBondContact O-N 3Å |
| 1089 | T | 61.4 | Low | 51.2 | Low | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -69.2 | -43.1 | 172.7 | 37.4 | 0 | 0 | 0 | 0 | 112.9 | L1085 V1086 L1087 T1091 A1092 C1107 L1111 L1138 W1142 | L1085-T1089 PolarHBondContact O-N 3.23Å; L1085-T1089 PolarHBondContact O-OG1 3.33Å; V1086-T1089 WeakPolarHBondContact CA-OG1 3.25Å; V1086-T1089 PolarHBondContact O-N 3.44Å; V1086-T1089 PolarHBondContact O-OG1 3.25Å; L1087-T1089 VanDerWaalsContact C-N 3.3Å; L1087-T1089 PolarHBondContact O-N 3.45Å; T1089-T1091 VanDerWaalsContact C-N 3.34Å; T1089-T1091 PolarHBondContact O-N 2.92Å; T1089-A1092 PolarHBondContact O-N 3.46Å; T1089-C1107 HydrophobicContact CG2-CB 3.29Å; T1089-L1111 HydrophobicContact CG2-CD1 3.74Å; T1089-L1138 WeakPolarHBondContact OG1-CD2 3.28Å; T1089-W1142 HydrophobicContact CG2-CH2 4.48Å; T1089-W1142 HydrophobicContact CG2-CZ2 4.3Å |
| 1090 | L | 57.6 | Low | 50.5 | Low | 64 Ų | 64 | 53.2 Ų | 53.2 | 34% | 0.335 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -62.9 | -40.9 | 179.7 | -76 | 166.4 | 0 | 0 | 0 | 112 | V1086 L1087 L1138 | V1086-L1090 HydrophobicContact CG1-CD1 4.11Å; V1086-L1090 WeakPolarHBondContact O-CG 3.4Å; V1086-L1090 PolarHBondContact O-N 3Å; L1087-L1090 HydrophobicContact CD2-CD1 4.21Å; L1087-L1090 PolarHBondContact O-N 3.43Å; L1090-L1138 HydrophobicContact CD2-CD1 3.61Å; L1090-L1138 HydrophobicContact CG-CD1 3.91Å |
| 1091 | T | 52 | Low | 50.4 | Low | 56 Ų | 56 | 56.9 Ų | 56.9 | 34% | 0.344 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -76.1 | -31.7 | -177.9 | 50.7 | 0 | 0 | 0 | 0 | 113.4 | K1048 L1087 S1088 T1089 D1093 C1094 | K1048-T1091 HydrophobicContact CG-CG2 4.45Å; L1087-T1091 WeakPolarHBondContact O-CB 3.5Å; L1087-T1091 WeakPolarHBondContact O-CG2 3.49Å; L1087-T1091 PolarHBondContact O-N 2.9Å; L1087-T1091 PolarHBondContact O-OG1 3.13Å; S1088-T1091 PolarHBondContact O-OG1 3.22Å; T1089-T1091 VanDerWaalsContact C-N 3.34Å; T1089-T1091 PolarHBondContact O-N 2.92Å; T1091-D1093 VanDerWaalsContact C-N 3.3Å; T1091-D1093 PolarHBondContact O-N 2.93Å; T1091-C1094 PolarHBondContact O-N 3.11Å |
| 1092 | A | 48.8 | Very low | 50.2 | Low | 26 Ų | 26 | 66.1 Ų | 66.1 | 22% | 0.215 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -67.6 | -27.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | S1088 T1089 C1094 F1103 | S1088-A1092 VanDerWaalsContact O-CB 3.31Å; S1088-A1092 WeakPolarHBondContact O-CB 3.48Å; S1088-A1092 PolarHBondContact O-N 3Å; T1089-A1092 PolarHBondContact O-N 3.46Å; A1092-C1094 VanDerWaalsContact C-N 3.33Å; A1092-F1103 HydrophobicContact CB-CD1 4.14Å; A1092-F1103 HydrophobicContact CB-CE1 4.45Å |
| 1093 | D | 44.9 | Very low | 49.8 | Very low | 77 Ų | 77 | 68.1 Ų | 68.1 | 41% | 0.412 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | -14.4 | -179.9 | -78.1 | -12 | 0 | 0 | 0 | 113 | T1091 S1104 | T1091-D1093 VanDerWaalsContact C-N 3.3Å; T1091-D1093 PolarHBondContact O-N 2.93Å; D1093-S1104 WeakPolarHBondContact OD1-CB 3.44Å; D1093-S1104 PolarHBondContact OD1-OG 2.98Å |
| 1094 | C | 35.8 | Very low | 49.6 | Very low | 113 Ų | 113 | 68.2 Ų | 68.2 | 76% | 0.764 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.3 | -9.8 | -173.7 | -68 | 0 | 0 | 0 | 0 | 115.7 | T1091 A1092 | T1091-C1094 PolarHBondContact O-N 3.11Å; A1092-C1094 VanDerWaalsContact C-N 3.33Å |
| 1095 | S | 33.5 | Very low | 49.6 | Very low | 74 Ų | 74 | 73 Ų | 73 | 52% | 0.517 | 40% | 0.398 | S | S | . | . | S | Bend | trans | -136.3 | 100.9 | -172.5 | 54.9 | 0 | 0 | 0 | 0 | 114.4 | ||
| 1096 | S | 29.6 | Very low | 49.3 | Very low | 100 Ų | 100 | 78.5 Ų | 78.5 | 70% | 0.699 | 42% | 0.418 | S | S | * | . | trans | 68.8 | 130.6 | 148.2 | 73.6 | 0 | 0 | 0 | 0 | 120.2 | T1100 | S1096-T1100 PolarHBondContact O-OG1 3.42Š| ||
| 1097 | A | 33.5 | Very low | 49.3 | Very low | 87 Ų | 87 | 78.3 Ų | 78.3 | 72% | 0.719 | 42% | 0.417 | S | S | * | . | S | Bend | trans | 49.1 | 117.5 | 151.8 | 0 | 0 | 0 | 0 | 0 | 119.7 | K1099 T1100 | A1097-K1099 PolarHBondContact O-N 3.41Å; A1097-T1100 PolarHBondContact O-N 3.01Å; A1097-T1100 PolarHBondContact O-OG1 2.68Å |
| 1098 | M | 38.1 | Very low | 49.5 | Very low | 187 Ų | 187 | 79.8 Ų | 79.8 | 92% | 0.921 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -5.2 | -22.6 | 169.7 | -89.2 | -167.9 | 170.4 | 0 | 0 | 122.8 | ||
| 1099 | K | 35.1 | Very low | 49.6 | Very low | 202 Ų | 202 | 81.9 Ų | 81.9 | 88% | 0.878 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.4 | -22.2 | 179.7 | -71.5 | -176.4 | 177.7 | 177.8 | 0 | 114.1 | A1097 N1101 | A1097-K1099 PolarHBondContact O-N 3.41Å; K1099-N1101 VanDerWaalsContact C-N 3.29Å; K1099-N1101 PolarHBondContact O-N 3.48Å |
| 1100 | T | 39.8 | Very low | 49.7 | Very low | 70 Ų | 70 | 82.1 Ų | 82.1 | 43% | 0.429 | 44% | 0.438 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.7 | -14.4 | 177 | 41.6 | 0 | 0 | 0 | 0 | 114.1 | S1096 A1097 R1102 F1103 | S1096-T1100 PolarHBondContact O-OG1 3.42Å; A1097-T1100 PolarHBondContact O-N 3.01Å; A1097-T1100 PolarHBondContact O-OG1 2.68Å; T1100-R1102 PolarHBondContact O-N 3.4Å; T1100-R1102 VanDerWaalsContact O-N 3.11Å; T1100-F1103 PolarHBondContact O-N 2.94Å; T1100-F1103 VanDerWaalsContact O-N 3.16Å |
| 1101 | N | 52.8 | Low | 50.2 | Low | 82 Ų | 82 | 79.2 Ų | 79.2 | 44% | 0.439 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -61 | -27.1 | -174.8 | -155 | -10.2 | 0 | 0 | 0 | 113.7 | K1099 F1103 Q1105 | K1099-N1101 VanDerWaalsContact C-N 3.29Å; K1099-N1101 PolarHBondContact O-N 3.48Å; N1101-F1103 PolarHBondContact O-N 3.46Å; N1101-Q1105 PolarHBondContact ND2-NE2 3.43Å; N1101-Q1105 VanDerWaalsContact O-CB 3.23Å; N1101-Q1105 WeakPolarHBondContact O-CB 3.49Å; N1101-Q1105 WeakPolarHBondContact O-CG 3.38Å; N1101-Q1105 PolarHBondContact O-N 2.9Å; N1101-Q1105 WeakPolarHBondContact OD1-CG 3.36Å; N1101-Q1105 PolarHBondContact OD1-NE2 3.31Å |
| 1102 | R | 55 | Low | 50.9 | Low | 210 Ų | 210 | 77.6 Ų | 77.6 | 79% | 0.792 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -67.8 | -33.4 | 178.9 | -73.8 | -170.8 | -177.5 | 180 | 1.4 | 113.5 | T1100 R1106 | T1100-R1102 PolarHBondContact O-N 3.4Å; T1100-R1102 VanDerWaalsContact O-N 3.11Å; R1102-R1106 VanDerWaalsContact O-CB 3.26Å; R1102-R1106 WeakPolarHBondContact O-CB 3.26Å; R1102-R1106 PolarHBondContact O-N 3.34Å; R1102-R1106 VanDerWaalsContact O-N 3.15Å |
| 1103 | F | 54.4 | Low | 51.6 | Low | 48 Ų | 48 | 77.2 Ų | 77.2 | 21% | 0.211 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -70.2 | -53.4 | 178.8 | 180 | -102.2 | 0 | 0 | 0 | 109.9 | I1055 W1059 A1092 T1100 N1101 Q1105 R1106 C1107 | I1055-F1103 HydrophobicContact CG2-CE2 4.42Å; I1055-F1103 HydrophobicContact CG2-CZ 4.34Å; W1059-F1103 HydrophobicContact CB-CD2 4.45Å; W1059-F1103 HydrophobicContact CB-CE2 4.18Å; W1059-F1103 AromaticContact CD1-CD2 3.39Å; W1059-F1103 AromaticContact CD1-CE2 3.7Å; W1059-F1103 HydrophobicContact CD2-CD2 4.06Å; W1059-F1103 AromaticContact CD2-CE2 3.56Å; W1059-F1103 HydrophobicContact CD2-CE2 3.56Å; W1059-F1103 AromaticContact CE2-CD2 3.89Å; W1059-F1103 AromaticContact CE2-CE2 3.67Å; W1059-F1103 HydrophobicContact CE3-CE2 4.18Å; W1059-F1103 AromaticContact CG-CD2 3.73Å; W1059-F1103 HydrophobicContact CG-CD2 3.73Å; W1059-F1103 AromaticContact CG-CE2 3.56Å; W1059-F1103 HydrophobicContact CG-CE2 3.56Å; W1059-F1103 HydrophobicContact CZ2-CE2 4.34Å; W1059-F1103 AromaticContact NE1-CD2 3.44Å; W1059-F1103 AromaticContact NE1-CE2 3.72Å; A1092-F1103 HydrophobicContact CB-CD1 4.14Å; A1092-F1103 HydrophobicContact CB-CE1 4.45Å; T1100-F1103 PolarHBondContact O-N 2.94Å; T1100-F1103 VanDerWaalsContact O-N 3.16Å; N1101-F1103 PolarHBondContact O-N 3.46Å; F1103-Q1105 PolarHBondContact O-N 2.8Å; F1103-R1106 PolarHBondContact O-N 3.41Å; F1103-R1106 VanDerWaalsContact O-N 3.12Å; F1103-C1107 VanDerWaalsContact CE1-SG 3.57Å; F1103-C1107 VanDerWaalsContact CZ-SG 3.53Å; F1103-C1107 PolarHBondContact O-N 2.97Å; F1103-C1107 PolarHBondContact O-SG 2.94Å |
| 1104 | S | 58.6 | Low | 52.5 | Low | 6 Ų | 6 | 73.6 Ų | 73.6 | 4% | 0.042 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -56.1 | -48.5 | 176.6 | 177.8 | 0 | 0 | 0 | 0 | 111.9 | D1093 R1106 C1107 R1108 | D1093-S1104 WeakPolarHBondContact OD1-CB 3.44Å; D1093-S1104 PolarHBondContact OD1-OG 2.98Å; S1104-R1106 VanDerWaalsContact C-N 3.3Å; S1104-R1106 PolarHBondContact O-N 3.16Å; S1104-C1107 PolarHBondContact O-N 2.71Å; S1104-R1108 VanDerWaalsContact O-CB 3.3Å; S1104-R1108 WeakPolarHBondContact O-CB 3.32Å; S1104-R1108 PolarHBondContact O-N 3.09Å |
| 1105 | Q | 61.1 | Low | 53.9 | Low | 103 Ų | 103 | 68.4 Ų | 68.4 | 48% | 0.481 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -58.4 | -39.4 | 176.7 | -75.8 | 172.6 | 3.4 | 0 | 0 | 113.2 | N1101 F1103 S1109 | N1101-Q1105 PolarHBondContact ND2-NE2 3.43Å; N1101-Q1105 VanDerWaalsContact O-CB 3.23Å; N1101-Q1105 WeakPolarHBondContact O-CB 3.49Å; N1101-Q1105 WeakPolarHBondContact O-CG 3.38Å; N1101-Q1105 PolarHBondContact O-N 2.9Å; N1101-Q1105 WeakPolarHBondContact OD1-CG 3.36Å; N1101-Q1105 PolarHBondContact OD1-NE2 3.31Å; F1103-Q1105 PolarHBondContact O-N 2.8Å; Q1105-S1109 WeakPolarHBondContact O-CB 3.48Å; Q1105-S1109 PolarHBondContact O-N 3.28Å |
| 1106 | R | 58.5 | Low | 55.1 | Low | 125 Ų | 125 | 69.6 Ų | 69.6 | 47% | 0.472 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -78.2 | -37.3 | -179.1 | -163.5 | 160.7 | 176 | 155.1 | -8.8 | 111.9 | L1062 R1102 F1103 S1104 R1108 S1109 I1110 | L1062-R1106 PolarHBondContact O-NH2 3.14Å; L1062-R1106 VanDerWaalsContact O-NH2 3.11Å; R1102-R1106 VanDerWaalsContact O-CB 3.26Å; R1102-R1106 WeakPolarHBondContact O-CB 3.26Å; R1102-R1106 PolarHBondContact O-N 3.34Å; R1102-R1106 VanDerWaalsContact O-N 3.15Å; F1103-R1106 PolarHBondContact O-N 3.41Å; F1103-R1106 VanDerWaalsContact O-N 3.12Å; S1104-R1106 VanDerWaalsContact C-N 3.3Å; S1104-R1106 PolarHBondContact O-N 3.16Å; R1106-R1108 VanDerWaalsContact C-N 3.32Å; R1106-S1109 PolarHBondContact O-N 3.48Å; R1106-I1110 HydrophobicContact CG-CD1 4.25Å; R1106-I1110 WeakPolarHBondContact O-CB 3.4Å; R1106-I1110 WeakPolarHBondContact O-CG1 3.4Å; R1106-I1110 PolarHBondContact O-N 2.92Å |
| 1107 | C | 62.4 | Low | 56.4 | Low | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -60.2 | -43.7 | 170 | -66.1 | 0 | 0 | 0 | 0 | 111 | W1059 T1089 F1103 S1104 I1110 L1111 | W1059-C1107 HydrophobicContact CH2-CB 4.5Å; W1059-C1107 HydrophobicContact CZ2-CB 4.08Å; W1059-C1107 WeakPolarHBondContact CZ2-SG 3.46Å; T1089-C1107 HydrophobicContact CG2-CB 3.29Å; F1103-C1107 VanDerWaalsContact CE1-SG 3.57Å; F1103-C1107 VanDerWaalsContact CZ-SG 3.53Å; F1103-C1107 PolarHBondContact O-N 2.97Å; F1103-C1107 PolarHBondContact O-SG 2.94Å; S1104-C1107 PolarHBondContact O-N 2.71Å; C1107-I1110 PolarHBondContact O-N 3.17Å; C1107-L1111 WeakPolarHBondContact O-CB 3.33Å; C1107-L1111 PolarHBondContact O-N 2.89Å |
| 1108 | R | 66 | Low | 57.6 | Low | 40 Ų | 40 | 61.7 Ų | 61.7 | 15% | 0.151 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -60 | -48.6 | 174 | -179.2 | -176.9 | -88.4 | 175.1 | -4.9 | 111.3 | S1104 R1106 I1110 L1111 F1112 W1142 E1145 | S1104-R1108 VanDerWaalsContact O-CB 3.3Å; S1104-R1108 WeakPolarHBondContact O-CB 3.32Å; S1104-R1108 PolarHBondContact O-N 3.09Å; R1106-R1108 VanDerWaalsContact C-N 3.32Å; R1108-I1110 VanDerWaalsContact C-N 3.3Å; R1108-I1110 PolarHBondContact O-N 3.47Å; R1108-L1111 PolarHBondContact O-N 3Å; R1108-F1112 HydrophobicContact CG-CD2 4.23Å; R1108-F1112 HydrophobicContact CG-CE1 4.3Å; R1108-F1112 HydrophobicContact CG-CE2 3.47Å; R1108-F1112 VanDerWaalsContact CG-CE2 3.47Å; R1108-F1112 HydrophobicContact CG-CZ 3.5Å; R1108-F1112 WeakPolarHBondContact O-CD2 3.43Å; R1108-F1112 WeakPolarHBondContact O-CG 3.41Å; R1108-F1112 PolarHBondContact O-N 3.36Å; R1108-W1142 HydrophobicContact CB-CH2 4.06Å; R1108-W1142 HydrophobicContact CB-CZ2 4.27Å; R1108-W1142 HydrophobicContact CG-CE3 4.24Å; R1108-W1142 HydrophobicContact CG-CH2 3.85Å; R1108-W1142 HydrophobicContact CG-CZ2 4.14Å; R1108-W1142 HydrophobicContact CG-CZ3 3.92Å; R1108-W1142 VanDerWaalsContact NH2-NE1 3.11Å; R1108-E1145 IonicContact NH2-OE2 2.69Å; R1108-E1145 PolarHBondContact NH2-OE2 3.42Å |
| 1109 | S | 63.3 | Low | 58.5 | Low | 49 Ų | 49 | 57 Ų | 57 | 34% | 0.343 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -57.7 | -43 | 175.9 | -174.3 | 0 | 0 | 0 | 0 | 112.1 | Q1105 R1106 F1112 S1113 | Q1105-S1109 WeakPolarHBondContact O-CB 3.48Å; Q1105-S1109 PolarHBondContact O-N 3.28Å; R1106-S1109 PolarHBondContact O-N 3.48Å; S1109-F1112 PolarHBondContact O-N 3.45Å; S1109-S1113 WeakPolarHBondContact O-CB 3.13Å; S1109-S1113 PolarHBondContact O-N 3.24Å; S1109-S1113 PolarHBondContact O-OG 3.13Å; S1109-S1113 VanDerWaalsContact O-OG 3.11Å |
| 1110 | I | 62.6 | Low | 59.5 | Low | 6 Ų | 6 | 47.8 Ų | 47.8 | 3% | 0.031 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -67.1 | -44.8 | 178.5 | -76 | 164 | 0 | 0 | 0 | 110.9 | W1059 V1067 R1106 C1107 R1108 F1112 S1113 V1114 | W1059-I1110 HydrophobicContact CH2-CD1 3.62Å; W1059-I1110 HydrophobicContact CZ2-CD1 3.5Å; W1059-I1110 VanDerWaalsContact CZ2-CD1 3.5Å; W1059-I1110 HydrophobicContact CZ3-CD1 4.5Å; V1067-I1110 HydrophobicContact CB-CG2 4.12Å; V1067-I1110 HydrophobicContact CG1-CG2 3.39Å; V1067-I1110 HydrophobicContact CG2-CD1 4.16Å; V1067-I1110 HydrophobicContact CG2-CG2 4.46Å; R1106-I1110 HydrophobicContact CG-CD1 4.25Å; R1106-I1110 WeakPolarHBondContact O-CB 3.4Å; R1106-I1110 WeakPolarHBondContact O-CG1 3.4Å; R1106-I1110 PolarHBondContact O-N 2.92Å; C1107-I1110 PolarHBondContact O-N 3.17Å; R1108-I1110 VanDerWaalsContact C-N 3.3Å; R1108-I1110 PolarHBondContact O-N 3.47Å; I1110-F1112 PolarHBondContact O-N 2.87Å; I1110-S1113 CarbonylContact O-C 3.38Å; I1110-S1113 WeakPolarHBondContact O-CA 3.24Å; I1110-S1113 WeakPolarHBondContact O-CB 3.43Å; I1110-S1113 PolarHBondContact O-N 3.5Å; I1110-V1114 HydrophobicContact CG2-CG1 4.27Å; I1110-V1114 WeakPolarHBondContact O-CG1 3.5Å; I1110-V1114 WeakPolarHBondContact O-CG2 3.26Å; I1110-V1114 PolarHBondContact O-N 3.47Å |
| 1111 | L | 68 | Low | 60.1 | Low | 3 Ų | 3 | 47.8 Ų | 47.8 | 2% | 0.016 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -55.8 | -42 | 175.9 | -85.1 | 162.7 | 0 | 0 | 0 | 111 | L1082 L1085 V1086 T1089 C1107 R1108 V1114 A1115 L1138 W1142 | L1082-L1111 HydrophobicContact CD1-CD2 3.93Å; L1085-L1111 HydrophobicContact CB-CD2 4.02Å; L1085-L1111 HydrophobicContact CB-CG 4.37Å; V1086-L1111 HydrophobicContact CG2-CD2 4.23Å; T1089-L1111 HydrophobicContact CG2-CD1 3.74Å; C1107-L1111 WeakPolarHBondContact O-CB 3.33Å; C1107-L1111 PolarHBondContact O-N 2.89Å; R1108-L1111 PolarHBondContact O-N 3Å; L1111-V1114 PolarHBondContact O-N 3.14Å; L1111-A1115 VanDerWaalsContact O-CB 3.29Å; L1111-A1115 WeakPolarHBondContact O-CB 3.31Å; L1111-A1115 PolarHBondContact O-N 3.09Å; L1111-L1138 HydrophobicContact CD1-CD2 4.27Å; L1111-W1142 HydrophobicContact CB-CH2 4.4Å; L1111-W1142 HydrophobicContact CB-CZ3 4.49Å; L1111-W1142 HydrophobicContact CD1-CH2 3.69Å; L1111-W1142 HydrophobicContact CD1-CZ3 4.44Å |
| 1112 | F | 67.2 | Low | 60 | Low | 21 Ų | 21 | 47.7 Ų | 47.7 | 9% | 0.092 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -64 | -41.1 | 171.8 | -59.7 | -28.4 | 0 | 0 | 0 | 112.7 | R1108 S1109 I1110 V1114 F1139 W1142 Q1155 L1156 A1159 | R1108-F1112 HydrophobicContact CG-CD2 4.23Å; R1108-F1112 HydrophobicContact CG-CE1 4.3Å; R1108-F1112 HydrophobicContact CG-CE2 3.47Å; R1108-F1112 VanDerWaalsContact CG-CE2 3.47Å; R1108-F1112 HydrophobicContact CG-CZ 3.5Å; R1108-F1112 WeakPolarHBondContact O-CD2 3.43Å; R1108-F1112 WeakPolarHBondContact O-CG 3.41Å; R1108-F1112 PolarHBondContact O-N 3.36Å; S1109-F1112 PolarHBondContact O-N 3.45Å; I1110-F1112 PolarHBondContact O-N 2.87Å; F1112-V1114 VanDerWaalsContact C-N 3.29Å; F1112-V1114 PolarHBondContact O-N 3.03Å; F1112-F1139 HydrophobicContact CD1-CE1 4.2Å; F1112-F1139 HydrophobicContact CE1-CD1 4.37Å; F1112-F1139 AromaticContact CE1-CE1 3.98Å; F1112-F1139 HydrophobicContact CE1-CE1 3.98Å; F1112-W1142 HydrophobicContact CD1-CZ3 4.44Å; F1112-W1142 AromaticContact CE1-CE3 3.64Å; F1112-W1142 HydrophobicContact CE1-CE3 3.64Å; F1112-W1142 AromaticContact CE1-CZ3 3.6Å; F1112-W1142 HydrophobicContact CE1-CZ3 3.6Å; F1112-W1142 AromaticContact CZ-CE3 3.81Å; F1112-W1142 HydrophobicContact CZ-CE3 3.81Å; F1112-W1142 AromaticContact CZ-CZ3 3.98Å; F1112-W1142 HydrophobicContact CZ-CZ3 3.98Å; F1112-Q1155 HydrophobicContact CB-CB 4.21Å; F1112-Q1155 HydrophobicContact CD2-CB 4.19Å; F1112-Q1155 HydrophobicContact CG-CB 4.33Å; F1112-L1156 HydrophobicContact CD1-CD1 4.38Å; F1112-L1156 HydrophobicContact CE1-CB 3.86Å; F1112-L1156 HydrophobicContact CE1-CD1 3.35Å; F1112-L1156 HydrophobicContact CE1-CG 4.17Å; F1112-L1156 HydrophobicContact CE2-CB 4.36Å; F1112-L1156 HydrophobicContact CZ-CB 3.75Å; F1112-L1156 HydrophobicContact CZ-CD1 3.72Å; F1112-L1156 HydrophobicContact CZ-CG 4.21Å; F1112-A1159 HydrophobicContact CD1-CB 3.98Å |
| 1113 | S | 63.2 | Low | 59.7 | Low | 18 Ų | 18 | 45.2 Ų | 45.2 | 13% | 0.126 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -71.9 | -14 | 177.8 | -68.1 | 0 | 0 | 0 | 0 | 115.1 | E1064 K1068 S1109 I1110 H1116 | E1064-S1113 WeakPolarHBondContact OE1-CB 3.41Å; E1064-S1113 PolarHBondContact OE1-OG 2.87Å; K1068-S1113 WeakPolarHBondContact CE-O 3.34Å; S1109-S1113 WeakPolarHBondContact O-CB 3.13Å; S1109-S1113 PolarHBondContact O-N 3.24Å; S1109-S1113 PolarHBondContact O-OG 3.13Å; S1109-S1113 VanDerWaalsContact O-OG 3.11Å; I1110-S1113 CarbonylContact O-C 3.38Å; I1110-S1113 WeakPolarHBondContact O-CA 3.24Å; I1110-S1113 WeakPolarHBondContact O-CB 3.43Å; I1110-S1113 PolarHBondContact O-N 3.5Å; S1113-H1116 PolarHBondContact O-CE1 3.32Å; S1113-H1116 PolarHBondContact O-ND1 3.42Å |
| 1114 | V | 64.7 | Low | 59.4 | Low | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.006 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -116.8 | -14 | 179 | -55.8 | 0 | 0 | 0 | 0 | 113.5 | V1067 K1068 F1071 I1110 L1111 F1112 H1116 C1117 V1118 | V1067-V1114 HydrophobicContact CG1-CG1 4.03Å; K1068-V1114 HydrophobicContact CG-CG1 4.39Å; F1071-V1114 HydrophobicContact CD2-CB 3.6Å; F1071-V1114 HydrophobicContact CD2-CG1 3.42Å; F1071-V1114 VanDerWaalsContact CD2-CG1 3.42Å; F1071-V1114 HydrophobicContact CD2-CG2 4.07Å; F1071-V1114 HydrophobicContact CE2-CB 3.92Å; F1071-V1114 HydrophobicContact CE2-CG1 3.74Å; F1071-V1114 HydrophobicContact CE2-CG2 3.88Å; F1071-V1114 HydrophobicContact CG-CB 4.1Å; F1071-V1114 HydrophobicContact CG-CG1 4.33Å; F1071-V1114 HydrophobicContact CZ-CG2 4.27Å; I1110-V1114 HydrophobicContact CG2-CG1 4.27Å; I1110-V1114 WeakPolarHBondContact O-CG1 3.5Å; I1110-V1114 WeakPolarHBondContact O-CG2 3.26Å; I1110-V1114 PolarHBondContact O-N 3.47Å; L1111-V1114 PolarHBondContact O-N 3.14Å; F1112-V1114 VanDerWaalsContact C-N 3.29Å; F1112-V1114 PolarHBondContact O-N 3.03Å; V1114-H1116 PolarHBondContact O-N 3.01Å; V1114-C1117 WeakPolarHBondContact O-CA 3.39Å; V1114-C1117 WeakPolarHBondContact O-CB 3.08Å; V1114-C1117 PolarHBondContact O-N 3.2Å; V1114-V1118 WeakPolarHBondContact O-CG2 3.28Å; V1114-V1118 PolarHBondContact O-N 2.86Å |
| 1115 | A | 64.4 | Low | 59.3 | Low | 4 Ų | 4 | 51.1 Ų | 51.1 | 3% | 0.033 | 26% | 0.259 | C | S | . | . | G | 310 helix | trans | -51.6 | -33.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | L1111 C1117 V1118 A1159 | L1111-A1115 VanDerWaalsContact O-CB 3.29Å; L1111-A1115 WeakPolarHBondContact O-CB 3.31Å; L1111-A1115 PolarHBondContact O-N 3.09Å; A1115-C1117 VanDerWaalsContact C-N 3.31Å; A1115-C1117 PolarHBondContact O-N 3.26Å; A1115-V1118 PolarHBondContact O-N 3.43Å; A1115-A1159 HydrophobicContact CB-CB 3.52Å |
| 1116 | H | 58.6 | Low | 59.1 | Low | 99 Ų | 99 | 47.8 Ų | 47.8 | 46% | 0.458 | 25% | 0.252 | S | S | . | . | G | 310 helix | trans | -76 | -15.8 | 176.4 | 65.2 | -91.7 | 0 | 0 | 0 | 115.5 | S1113 V1114 T1162 | S1113-H1116 PolarHBondContact O-CE1 3.32Å; S1113-H1116 PolarHBondContact O-ND1 3.42Å; V1114-H1116 PolarHBondContact O-N 3.01Å; H1116-T1162 VanDerWaalsContact CA-CG2 3.45Å; H1116-T1162 HydrophobicContact CB-CG2 3.85Å |
| 1117 | C | 56.9 | Low | 59 | Low | 19 Ų | 19 | 44.1 Ų | 44.1 | 13% | 0.128 | 24% | 0.242 | C | C | . | . | G | 310 helix | trans | -92.7 | -9.7 | 174.3 | -56.6 | 0 | 0 | 0 | 0 | 112.3 | F1071 V1114 A1115 Q1119 | F1071-C1117 HydrophobicContact CB-CB 3.59Å; V1114-C1117 WeakPolarHBondContact O-CA 3.39Å; V1114-C1117 WeakPolarHBondContact O-CB 3.08Å; V1114-C1117 PolarHBondContact O-N 3.2Å; A1115-C1117 VanDerWaalsContact C-N 3.31Å; A1115-C1117 PolarHBondContact O-N 3.26Å; C1117-Q1119 PolarHBondContact O-N 3.39Å |
| 1118 | V | 59.1 | Low | 59 | Low | 3 Ų | 3 | 44.6 Ų | 44.6 | 2% | 0.018 | 25% | 0.245 | C | C | . | . | trans | -73.2 | 120.1 | -178.5 | 177.1 | 0 | 0 | 0 | 0 | 109.7 | F1077 L1082 V1114 A1115 F1120 S1166 | F1077-V1118 HydrophobicContact CE1-CG1 4.22Å; F1077-V1118 HydrophobicContact CE2-CB 4.18Å; F1077-V1118 HydrophobicContact CE2-CG1 4.08Å; F1077-V1118 HydrophobicContact CE2-CG2 4.14Å; F1077-V1118 HydrophobicContact CZ-CB 4.16Å; F1077-V1118 HydrophobicContact CZ-CG1 3.67Å; F1077-V1118 HydrophobicContact CZ-CG2 4Å; L1082-V1118 HydrophobicContact CD1-CG2 4.02Å; L1082-V1118 HydrophobicContact CD2-CG1 3.75Å; L1082-V1118 HydrophobicContact CD2-CG2 4.21Å; V1114-V1118 WeakPolarHBondContact O-CG2 3.28Å; V1114-V1118 PolarHBondContact O-N 2.86Å; A1115-V1118 PolarHBondContact O-N 3.43Å; V1118-F1120 HydrophobicContact CG1-CD2 3.85Å; V1118-F1120 HydrophobicContact CG1-CE2 3.27Å; V1118-F1120 HydrophobicContact CG1-CZ 3.69Å; V1118-S1166 WeakPolarHBondContact O-CB 3.03Å | ||
| 1119 | Q | 56.3 | Low | 59 | Low | 87 Ų | 87 | 43 Ų | 43 | 41% | 0.407 | 24% | 0.239 | S | C | . | . | trans | -121.3 | 123.8 | 168.6 | -71.8 | -174 | 1.8 | 0 | 0 | 108.9 | Q1074 F1077 C1117 | Q1074-Q1119 PolarHBondContact O-OE1 2.85Å; F1077-Q1119 WeakPolarHBondContact CB-O 3.37Å; F1077-Q1119 WeakPolarHBondContact CD1-O 3.33Å; F1077-Q1119 VanDerWaalsContact CG-O 3.24Å; F1077-Q1119 WeakPolarHBondContact CG-O 3.22Å; C1117-Q1119 PolarHBondContact O-N 3.39Å | ||
| 1120 | F | 57.4 | Low | 59 | Low | 10 Ų | 10 | 43.7 Ų | 43.7 | 4% | 0.044 | 24% | 0.239 | C | C | . | . | trans | -84.6 | 130.4 | 177.8 | -69.1 | -97.3 | 0 | 0 | 0 | 109.8 | L1082 V1118 L1131 F1132 L1163 S1166 L1167 | L1082-F1120 HydrophobicContact CD2-CE1 4.24Å; L1082-F1120 HydrophobicContact CD2-CZ 3.73Å; V1118-F1120 HydrophobicContact CG1-CD2 3.85Å; V1118-F1120 HydrophobicContact CG1-CE2 3.27Å; V1118-F1120 HydrophobicContact CG1-CZ 3.69Å; F1120-L1131 HydrophobicContact CD1-CD2 4.4Å; F1120-L1131 HydrophobicContact CE1-CD2 3.73Å; F1120-L1131 HydrophobicContact CE1-CG 4.35Å; F1120-F1132 HydrophobicContact CD1-CB 4.44Å; F1120-F1132 HydrophobicContact CD1-CD2 4.03Å; F1120-F1132 AromaticContact CD2-CD2 3.74Å; F1120-F1132 HydrophobicContact CD2-CD2 3.74Å; F1120-F1132 AromaticContact CD2-CE2 3.97Å; F1120-F1132 HydrophobicContact CD2-CE2 3.97Å; F1120-F1132 HydrophobicContact CE1-CB 3.86Å; F1120-F1132 AromaticContact CE1-CD2 3.59Å; F1120-F1132 HydrophobicContact CE1-CD2 3.59Å; F1120-F1132 HydrophobicContact CE1-CG 4.21Å; F1120-F1132 AromaticContact CE2-CD2 3.3Å; F1120-F1132 HydrophobicContact CE2-CD2 3.3Å; F1120-F1132 AromaticContact CE2-CE2 3.56Å; F1120-F1132 HydrophobicContact CE2-CE2 3.56Å; F1120-F1132 HydrophobicContact CG-CD2 4.11Å; F1120-F1132 HydrophobicContact CZ-CB 4.2Å; F1120-F1132 AromaticContact CZ-CD2 3.24Å; F1120-F1132 HydrophobicContact CZ-CD2 3.24Å; F1120-F1132 AromaticContact CZ-CE2 3.95Å; F1120-F1132 HydrophobicContact CZ-CE2 3.95Å; F1120-F1132 HydrophobicContact CZ-CG 4.11Å; F1120-L1163 HydrophobicContact CE2-CD1 3.69Å; F1120-L1163 HydrophobicContact CZ-CD1 3.89Å; F1120-S1166 VanDerWaalsContact CD2-OG 3.22Å; F1120-S1166 WeakPolarHBondContact CD2-OG 3.31Å; F1120-S1166 WeakPolarHBondContact CE2-OG 3.41Å; F1120-L1167 HydrophobicContact CB-CD1 3.77Å; F1120-L1167 HydrophobicContact CD1-CD1 4.1Å; F1120-L1167 HydrophobicContact CD2-CD1 4.09Å; F1120-L1167 HydrophobicContact CG-CD1 3.73Å | ||
| 1121 | C | 52.3 | Low | 59.1 | Low | 69 Ų | 69 | 43.7 Ų | 43.7 | 47% | 0.466 | 24% | 0.239 | S | C | . | . | trans | -62.4 | 130 | -178.6 | -160.5 | 0 | 0 | 0 | 0 | 110 | K1123 | C1121-K1123 PolarHBondContact O-N 3.05Å; C1121-K1123 VanDerWaalsContact O-N 3.1Å | ||
| 1122 | P | 49.4 | Very low | 59.2 | Low | 80 Ų | 80 | 43.6 Ų | 43.6 | 52% | 0.519 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -69.1 | -7.4 | -173.8 | 22.5 | -32 | 0 | 0 | 0 | 115.1 | P1168 | P1122-P1168 HydrophobicContact CB-CG 3.89Š|
| 1123 | K | 48.6 | Very low | 59.3 | Low | 158 Ų | 158 | 42.9 Ų | 42.9 | 69% | 0.687 | 24% | 0.237 | S | C | * | . | S | Bend | trans | -83.4 | 142.6 | -176.4 | -68.8 | -174.2 | 178.2 | 179.1 | 0 | 111.8 | C1121 N1125 | C1121-K1123 PolarHBondContact O-N 3.05Å; C1121-K1123 VanDerWaalsContact O-N 3.1Å; K1123-N1125 PolarHBondContact O-N 2.87Å |
| 1124 | D | 49.4 | Very low | 59.5 | Low | 108 Ų | 108 | 43.7 Ų | 43.7 | 58% | 0.578 | 24% | 0.239 | S | C | * | . | trans | -56.5 | 57.3 | -171.2 | -64.4 | -45.7 | 0 | 0 | 0 | 116.5 | ||||
| 1125 | N | 55.4 | Low | 59.8 | Low | 70 Ų | 70 | 43.7 Ų | 43.7 | 37% | 0.374 | 24% | 0.239 | S | C | . | . | trans | -98.9 | 108.5 | 176.2 | -68.1 | 1.7 | 0 | 0 | 0 | 108.7 | K1123 N1127 S1128 | K1123-N1125 PolarHBondContact O-N 2.87Å; N1125-N1127 PolarHBondContact O-N 3.36Å; N1125-S1128 WeakPolarHBondContact O-CB 3.46Å; N1125-S1128 PolarHBondContact O-N 3.48Å | ||
| 1126 | G | 58.4 | Low | 60.3 | Low | 33 Ų | 33 | 43.5 Ų | 43.5 | 34% | 0.34 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -52.2 | -21.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | I1129 L1130 | G1126-I1129 WeakPolarHBondContact O-CB 3.47Å; G1126-I1129 PolarHBondContact O-N 3.37Å; G1126-L1130 PolarHBondContact O-N 2.71Å; G1126-L1130 VanDerWaalsContact O-N 3.12Å |
| 1127 | N | 56.7 | Low | 60.8 | Low | 49 Ų | 49 | 43.5 Ų | 43.5 | 26% | 0.262 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -71.9 | -33.1 | 174 | -63.7 | -41.7 | 0 | 0 | 0 | 114.5 | C1035 N1036 N1125 I1129 L1130 L1131 | C1035-N1127 VanDerWaalsContact C-ND2 3.26Å; C1035-N1127 HydrophobicContact CB-CB 3.37Å; C1035-N1127 VanDerWaalsContact CB-CG 3.45Å; C1035-N1127 WeakPolarHBondContact CB-ND2 3.4Å; C1035-N1127 PolarHBondContact O-ND2 3.18Å; N1036-N1127 PolarHBondContact OD1-ND2 3.23Å; N1036-N1127 VanDerWaalsContact OD1-ND2 3.15Å; N1125-N1127 PolarHBondContact O-N 3.36Å; N1127-I1129 VanDerWaalsContact C-N 3.25Å; N1127-I1129 PolarHBondContact O-N 3.17Å; N1127-L1130 PolarHBondContact O-N 2.86Å; N1127-L1131 WeakPolarHBondContact O-CB 3.34Å; N1127-L1131 PolarHBondContact O-N 3.39Å |
| 1128 | S | 60.7 | Low | 61.5 | Low | 9 Ų | 9 | 42.8 Ų | 42.8 | 6% | 0.063 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -65.3 | -35.6 | 173.2 | -60.9 | 0 | 0 | 0 | 0 | 110.8 | N1125 F1132 | N1125-S1128 WeakPolarHBondContact O-CB 3.46Å; N1125-S1128 PolarHBondContact O-N 3.48Å; S1128-F1132 WeakPolarHBondContact O-CB 3.31Å; S1128-F1132 PolarHBondContact O-N 3.14Å |
| 1129 | I | 65.7 | Low | 62.2 | Low | 6 Ų | 6 | 43 Ų | 43 | 3% | 0.031 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -64 | -48.6 | 174.2 | -68.1 | -176.8 | 0 | 0 | 0 | 110.5 | G1126 N1127 L1131 F1132 A1133 A1175 L1181 | G1126-I1129 WeakPolarHBondContact O-CB 3.47Å; G1126-I1129 PolarHBondContact O-N 3.37Å; N1127-I1129 VanDerWaalsContact C-N 3.25Å; N1127-I1129 PolarHBondContact O-N 3.17Å; I1129-L1131 PolarHBondContact O-N 2.9Å; I1129-F1132 PolarHBondContact O-N 3.18Å; I1129-A1133 WeakPolarHBondContact O-CB 3.36Å; I1129-A1133 PolarHBondContact O-N 3.39Å; I1129-A1175 HydrophobicContact CD1-CB 3.38Å; I1129-L1181 HydrophobicContact CB-CD2 4.43Å; I1129-L1181 HydrophobicContact CD1-CD2 4.5Å; I1129-L1181 HydrophobicContact CG1-CD2 4.02Å; I1129-L1181 HydrophobicContact CG2-CB 3.85Å; I1129-L1181 HydrophobicContact CG2-CD1 4.32Å; I1129-L1181 HydrophobicContact CG2-CD2 4.07Å; I1129-L1181 HydrophobicContact CG2-CG 4.32Å |
| 1130 | L | 64.4 | Low | 63.2 | Low | 64 Ų | 64 | 40.6 Ų | 40.6 | 34% | 0.335 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -60.6 | -44 | 177 | -175.8 | 67.1 | 0 | 0 | 0 | 112.1 | V1040 G1126 N1127 F1132 A1133 L1134 | V1040-L1130 HydrophobicContact CG2-CD2 4.03Å; G1126-L1130 PolarHBondContact O-N 2.71Å; G1126-L1130 VanDerWaalsContact O-N 3.12Å; N1127-L1130 PolarHBondContact O-N 2.86Å; L1130-F1132 VanDerWaalsContact C-N 3.31Å; L1130-F1132 PolarHBondContact O-N 3.34Å; L1130-A1133 PolarHBondContact O-N 3.21Å; L1130-L1134 HydrophobicContact CG-CD1 4.33Å; L1130-L1134 WeakPolarHBondContact O-CG 3.19Å; L1130-L1134 PolarHBondContact O-N 3.19Å |
| 1131 | L | 64.4 | Low | 63.8 | Low | 7 Ų | 7 | 44.4 Ų | 44.4 | 4% | 0.037 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -56 | -47.4 | 176.2 | -173.9 | 81.4 | 0 | 0 | 0 | 111.6 | S1079 L1082 L1083 F1120 N1127 I1129 L1134 A1135 | S1079-L1131 WeakPolarHBondContact O-CD1 3.36Å; L1082-L1131 HydrophobicContact CB-CD2 4.25Å; L1082-L1131 HydrophobicContact CD2-CD2 3.94Å; L1082-L1131 HydrophobicContact CD2-CG 4.4Å; L1082-L1131 HydrophobicContact CG-CD2 4.49Å; L1083-L1131 HydrophobicContact CB-CD1 3.28Å; L1083-L1131 HydrophobicContact CD1-CD1 3.53Å; L1083-L1131 HydrophobicContact CG-CD1 3.93Å; F1120-L1131 HydrophobicContact CD1-CD2 4.4Å; F1120-L1131 HydrophobicContact CE1-CD2 3.73Å; F1120-L1131 HydrophobicContact CE1-CG 4.35Å; N1127-L1131 WeakPolarHBondContact O-CB 3.34Å; N1127-L1131 PolarHBondContact O-N 3.39Å; I1129-L1131 PolarHBondContact O-N 2.9Å; L1131-L1134 PolarHBondContact O-N 3.47Å; L1131-A1135 PolarHBondContact O-N 3.25Å |
| 1132 | F | 69.8 | Low | 64.6 | Low | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -67.3 | -43 | -179 | -166.5 | -76.6 | 0 | 0 | 0 | 111.1 | F1120 S1128 I1129 L1130 L1134 A1135 C1136 L1163 L1164 L1167 L1181 E1185 | F1120-F1132 HydrophobicContact CD1-CB 4.44Å; F1120-F1132 HydrophobicContact CD1-CD2 4.03Å; F1120-F1132 AromaticContact CD2-CD2 3.74Å; F1120-F1132 HydrophobicContact CD2-CD2 3.74Å; F1120-F1132 AromaticContact CD2-CE2 3.97Å; F1120-F1132 HydrophobicContact CD2-CE2 3.97Å; F1120-F1132 HydrophobicContact CE1-CB 3.86Å; F1120-F1132 AromaticContact CE1-CD2 3.59Å; F1120-F1132 HydrophobicContact CE1-CD2 3.59Å; F1120-F1132 HydrophobicContact CE1-CG 4.21Å; F1120-F1132 AromaticContact CE2-CD2 3.3Å; F1120-F1132 HydrophobicContact CE2-CD2 3.3Å; F1120-F1132 AromaticContact CE2-CE2 3.56Å; F1120-F1132 HydrophobicContact CE2-CE2 3.56Å; F1120-F1132 HydrophobicContact CG-CD2 4.11Å; F1120-F1132 HydrophobicContact CZ-CB 4.2Å; F1120-F1132 AromaticContact CZ-CD2 3.24Å; F1120-F1132 HydrophobicContact CZ-CD2 3.24Å; F1120-F1132 AromaticContact CZ-CE2 3.95Å; F1120-F1132 HydrophobicContact CZ-CE2 3.95Å; F1120-F1132 HydrophobicContact CZ-CG 4.11Å; S1128-F1132 WeakPolarHBondContact O-CB 3.31Å; S1128-F1132 PolarHBondContact O-N 3.14Å; I1129-F1132 PolarHBondContact O-N 3.18Å; L1130-F1132 VanDerWaalsContact C-N 3.31Å; L1130-F1132 PolarHBondContact O-N 3.34Å; F1132-L1134 VanDerWaalsContact C-N 3.34Å; F1132-L1134 PolarHBondContact O-N 2.71Å; F1132-A1135 WeakPolarHBondContact O-CB 3.38Å; F1132-A1135 PolarHBondContact O-N 3Å; F1132-C1136 VanDerWaalsContact CD1-SG 3.55Å; F1132-C1136 WeakPolarHBondContact CE1-SG 3.05Å; F1132-C1136 PolarHBondContact O-N 2.86Å; F1132-L1163 HydrophobicContact CD2-CD1 4.44Å; F1132-L1163 HydrophobicContact CD2-CG 4.36Å; F1132-L1163 HydrophobicContact CE1-CD2 4.29Å; F1132-L1163 HydrophobicContact CE1-CG 4.49Å; F1132-L1163 HydrophobicContact CE2-CD1 4.05Å; F1132-L1163 HydrophobicContact CE2-CD2 4.21Å; F1132-L1163 HydrophobicContact CE2-CG 3.62Å; F1132-L1163 WeakPolarHBondContact CE2-O 3.21Å; F1132-L1163 HydrophobicContact CZ-CD2 3.98Å; F1132-L1163 HydrophobicContact CZ-CG 3.71Å; F1132-L1163 WeakPolarHBondContact CZ-O 3.41Å; F1132-L1164 HydrophobicContact CE1-CD2 4.41Å; F1132-L1164 HydrophobicContact CZ-CD2 4.35Å; F1132-L1167 HydrophobicContact CB-CD1 4.26Å; F1132-L1167 HydrophobicContact CD2-CB 4.29Å; F1132-L1167 HydrophobicContact CD2-CD1 3.34Å; F1132-L1167 HydrophobicContact CD2-CG 4.3Å; F1132-L1167 HydrophobicContact CE2-CB 3.78Å; F1132-L1167 HydrophobicContact CE2-CD1 3.75Å; F1132-L1167 HydrophobicContact CE2-CG 4.27Å; F1132-L1167 HydrophobicContact CG-CD1 3.89Å; F1132-L1167 HydrophobicContact CZ-CB 4.2Å; F1132-L1181 HydrophobicContact CB-CD1 3.7Å; F1132-L1181 HydrophobicContact CD1-CD1 3.33Å; F1132-L1181 HydrophobicContact CD1-CG 4.49Å; F1132-L1181 HydrophobicContact CE1-CD1 4.21Å; F1132-L1181 HydrophobicContact CG-CD1 3.78Å; F1132-E1185 HydrophobicContact CD1-CG 4.44Å; F1132-E1185 HydrophobicContact CE1-CG 3.66Å; F1132-E1185 WeakPolarHBondContact CE1-OE1 3.26Å; F1132-E1185 HydrophobicContact CZ-CG 4.47Å; F1132-E1185 WeakPolarHBondContact CZ-OE1 3.24Å |
| 1133 | A | 69.6 | Low | 65.5 | Low | 7 Ų | 7 | 37.7 Ų | 37.7 | 6% | 0.058 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -57.3 | -46.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | I1129 L1130 A1135 C1136 E1137 E1184 | I1129-A1133 WeakPolarHBondContact O-CB 3.36Å; I1129-A1133 PolarHBondContact O-N 3.39Å; L1130-A1133 PolarHBondContact O-N 3.21Å; A1133-A1135 VanDerWaalsContact C-N 3.35Å; A1133-A1135 PolarHBondContact O-N 3.14Å; A1133-C1136 WeakPolarHBondContact O-CB 3.4Å; A1133-C1136 PolarHBondContact O-N 2.91Å; A1133-E1137 WeakPolarHBondContact O-CG 3.4Å; A1133-E1137 PolarHBondContact O-N 3.3Å; A1133-E1184 HydrophobicContact CB-CG 4.41Å |
| 1134 | L | 68.2 | Low | 66.3 | Low | 35 Ų | 35 | 33.4 Ų | 33.4 | 18% | 0.183 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -62.5 | -39.4 | 175.6 | -71.3 | 171.2 | 0 | 0 | 0 | 112.7 | L1083 V1086 L1130 L1131 F1132 E1137 L1138 | L1083-L1134 HydrophobicContact CD1-CD1 3.87Å; V1086-L1134 HydrophobicContact CG1-CB 4.49Å; L1130-L1134 HydrophobicContact CG-CD1 4.33Å; L1130-L1134 WeakPolarHBondContact O-CG 3.19Å; L1130-L1134 PolarHBondContact O-N 3.19Å; L1131-L1134 PolarHBondContact O-N 3.47Å; F1132-L1134 VanDerWaalsContact C-N 3.34Å; F1132-L1134 PolarHBondContact O-N 2.71Å; L1134-E1137 PolarHBondContact O-N 2.9Å; L1134-L1138 PolarHBondContact O-N 3.49Å |
| 1135 | A | 70.8 | Confident | 67 | Low | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -64.3 | -44.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | V1086 L1131 F1132 A1133 L1138 F1139 L1163 | V1086-A1135 HydrophobicContact CG2-CB 4.44Å; L1131-A1135 PolarHBondContact O-N 3.25Å; F1132-A1135 WeakPolarHBondContact O-CB 3.38Å; F1132-A1135 PolarHBondContact O-N 3Å; A1133-A1135 VanDerWaalsContact C-N 3.35Å; A1133-A1135 PolarHBondContact O-N 3.14Å; A1135-L1138 PolarHBondContact O-N 3.02Å; A1135-F1139 HydrophobicContact CB-CE2 4.32Å; A1135-F1139 WeakPolarHBondContact O-CD2 3.13Å; A1135-F1139 WeakPolarHBondContact O-CG 3.35Å; A1135-F1139 PolarHBondContact O-N 2.94Å; A1135-L1163 HydrophobicContact CB-CD2 4.25Å |
| 1136 | C | 74.2 | Confident | 66.7 | Low | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -58.1 | -47.9 | 173.5 | -80 | 0 | 0 | 0 | 0 | 111.6 | F1132 A1133 L1138 F1139 K1140 E1184 L1188 | F1132-C1136 VanDerWaalsContact CD1-SG 3.55Å; F1132-C1136 WeakPolarHBondContact CE1-SG 3.05Å; F1132-C1136 PolarHBondContact O-N 2.86Å; A1133-C1136 WeakPolarHBondContact O-CB 3.4Å; A1133-C1136 PolarHBondContact O-N 2.91Å; C1136-L1138 VanDerWaalsContact C-N 3.33Å; C1136-L1138 PolarHBondContact O-N 3.36Å; C1136-F1139 PolarHBondContact O-N 3.44Å; C1136-K1140 WeakPolarHBondContact O-CB 3.27Å; C1136-K1140 VanDerWaalsContact O-CG 3.26Å; C1136-K1140 WeakPolarHBondContact O-CG 3.31Å; C1136-K1140 PolarHBondContact O-N 2.86Å; C1136-E1184 HydrophobicContact CB-CB 4.09Å; C1136-L1188 HydrophobicContact CB-CD2 4.38Å |
| 1137 | E | 69.9 | Low | 66.1 | Low | 100 Ų | 100 | 46.9 Ų | 46.9 | 47% | 0.467 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -57.1 | -45.4 | 176.7 | -75.3 | -172 | 163 | 0 | 0 | 112.1 | A1133 L1134 K1140 F1141 E1184 | A1133-E1137 WeakPolarHBondContact O-CG 3.4Å; A1133-E1137 PolarHBondContact O-N 3.3Å; L1134-E1137 PolarHBondContact O-N 2.9Å; E1137-K1140 PolarHBondContact O-N 3.47Å; E1137-F1141 WeakPolarHBondContact O-CB 3.41Å; E1137-F1141 PolarHBondContact O-N 3.22Å; E1137-E1184 VanDerWaalsContact CG-OE2 3.23Å; E1137-E1184 WeakPolarHBondContact CG-OE2 3.36Å |
| 1138 | L | 71.1 | Confident | 65.7 | Low | 3 Ų | 3 | 45.5 Ų | 45.5 | 2% | 0.016 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -61.1 | -46.4 | 176.1 | -179.8 | 64.3 | 0 | 0 | 0 | 111.8 | V1086 T1089 L1090 L1111 L1134 A1135 C1136 F1141 W1142 | V1086-L1138 HydrophobicContact CB-CD2 4.21Å; V1086-L1138 HydrophobicContact CG1-CB 4.41Å; V1086-L1138 HydrophobicContact CG1-CD2 3.88Å; V1086-L1138 HydrophobicContact CG2-CD2 4.11Å; T1089-L1138 WeakPolarHBondContact OG1-CD2 3.28Å; L1090-L1138 HydrophobicContact CD2-CD1 3.61Å; L1090-L1138 HydrophobicContact CG-CD1 3.91Å; L1111-L1138 HydrophobicContact CD1-CD2 4.27Å; L1134-L1138 PolarHBondContact O-N 3.49Å; A1135-L1138 PolarHBondContact O-N 3.02Å; C1136-L1138 VanDerWaalsContact C-N 3.33Å; C1136-L1138 PolarHBondContact O-N 3.36Å; L1138-F1141 WeakPolarHBondContact O-CB 3.34Å; L1138-F1141 PolarHBondContact O-N 3.22Å; L1138-W1142 HydrophobicContact CD1-CD2 4.26Å; L1138-W1142 VanDerWaalsContact CD1-CE2 3.47Å; L1138-W1142 HydrophobicContact CD1-CH2 4.36Å; L1138-W1142 HydrophobicContact CD1-CZ2 3.57Å; L1138-W1142 HydrophobicContact CD2-CH2 3.68Å; L1138-W1142 HydrophobicContact CD2-CZ2 3.69Å; L1138-W1142 HydrophobicContact CD2-CZ3 4.26Å; L1138-W1142 HydrophobicContact CG-CD2 4.13Å; L1138-W1142 HydrophobicContact CG-CE3 4.38Å; L1138-W1142 HydrophobicContact CG-CH2 3.97Å; L1138-W1142 HydrophobicContact CG-CZ2 3.67Å; L1138-W1142 HydrophobicContact CG-CZ3 4.3Å; L1138-W1142 PolarHBondContact O-N 3.06Å |
| 1139 | F | 74.7 | Confident | 65 | Low | 7 Ų | 7 | 49.1 Ų | 49.1 | 3% | 0.031 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -66.9 | -38.1 | 178.7 | -72.6 | -55.4 | 0 | 0 | 0 | 112.4 | F1112 A1135 C1136 W1142 L1143 L1156 A1159 L1163 L1188 | F1112-F1139 HydrophobicContact CD1-CE1 4.2Å; F1112-F1139 HydrophobicContact CE1-CD1 4.37Å; F1112-F1139 AromaticContact CE1-CE1 3.98Å; F1112-F1139 HydrophobicContact CE1-CE1 3.98Å; A1135-F1139 HydrophobicContact CB-CE2 4.32Å; A1135-F1139 WeakPolarHBondContact O-CD2 3.13Å; A1135-F1139 WeakPolarHBondContact O-CG 3.35Å; A1135-F1139 PolarHBondContact O-N 2.94Å; C1136-F1139 PolarHBondContact O-N 3.44Å; F1139-W1142 AromaticContact CD1-CE3 3.78Å; F1139-W1142 HydrophobicContact CD1-CE3 3.78Å; F1139-W1142 HydrophobicContact CD1-CZ3 4.02Å; F1139-W1142 HydrophobicContact CE1-CE3 4.07Å; F1139-W1142 AromaticContact CE1-CZ3 3.83Å; F1139-W1142 HydrophobicContact CE1-CZ3 3.83Å; F1139-W1142 PolarHBondContact O-N 3.19Å; F1139-L1143 WeakPolarHBondContact O-CB 3.47Å; F1139-L1143 WeakPolarHBondContact O-CG 3.44Å; F1139-L1143 PolarHBondContact O-N 3.25Å; F1139-L1156 HydrophobicContact CD1-CD1 3.55Å; F1139-L1156 HydrophobicContact CE1-CD1 4.23Å; F1139-L1156 HydrophobicContact CG-CD1 4.48Å; F1139-A1159 HydrophobicContact CE1-CB 4.35Å; F1139-L1163 HydrophobicContact CD2-CD2 3.68Å; F1139-L1163 HydrophobicContact CE2-CD1 4.4Å; F1139-L1163 HydrophobicContact CE2-CD2 3.69Å; F1139-L1163 HydrophobicContact CE2-CG 4.47Å; F1139-L1188 HydrophobicContact CB-CD1 3.94Å |
| 1140 | K | 75.8 | Confident | 64.3 | Low | 37 Ų | 37 | 60 Ų | 60 | 16% | 0.161 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -61 | -46.1 | 172.6 | -73.8 | -168.2 | -60.5 | 174.9 | 0 | 111 | C1136 E1137 W1142 L1143 S1144 E1184 L1188 L1191 | C1136-K1140 WeakPolarHBondContact O-CB 3.27Å; C1136-K1140 VanDerWaalsContact O-CG 3.26Å; C1136-K1140 WeakPolarHBondContact O-CG 3.31Å; C1136-K1140 PolarHBondContact O-N 2.86Å; E1137-K1140 PolarHBondContact O-N 3.47Å; K1140-W1142 VanDerWaalsContact C-N 3.3Å; K1140-W1142 PolarHBondContact O-N 2.95Å; K1140-L1143 PolarHBondContact O-N 3.48Å; K1140-S1144 WeakPolarHBondContact O-CB 3.41Å; K1140-S1144 PolarHBondContact O-N 3.37Å; K1140-S1144 PolarHBondContact O-OG 2.93Å; K1140-E1184 WeakPolarHBondContact CE-OE2 3.34Å; K1140-E1184 IonicContact NZ-OE1 2.84Å; K1140-E1184 PolarHBondContact NZ-OE1 3.26Å; K1140-E1184 IonicContact NZ-OE2 2.89Å; K1140-E1184 PolarHBondContact NZ-OE2 3.47Å; K1140-L1188 HydrophobicContact CG-CB 4.1Å; K1140-L1188 HydrophobicContact CG-CD1 3.73Å; K1140-L1191 HydrophobicContact CB-CD1 3.7Å; K1140-L1191 HydrophobicContact CD-CD1 3.88Å; K1140-L1191 HydrophobicContact CG-CD1 3.57Å |
| 1141 | F | 70 | Confident | 63.7 | Low | 91 Ų | 91 | 68.1 Ų | 68.1 | 40% | 0.399 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -55.6 | -48 | 175.6 | 175.6 | -107.9 | 0 | 0 | 0 | 110.2 | E1137 L1138 L1143 S1144 E1145 | E1137-F1141 WeakPolarHBondContact O-CB 3.41Å; E1137-F1141 PolarHBondContact O-N 3.22Å; L1138-F1141 WeakPolarHBondContact O-CB 3.34Å; L1138-F1141 PolarHBondContact O-N 3.22Å; F1141-L1143 PolarHBondContact O-N 3.25Å; F1141-S1144 PolarHBondContact O-N 3.27Å; F1141-S1144 PolarHBondContact O-OG 3.45Å; F1141-E1145 HydrophobicContact CE1-CG 4.39Å; F1141-E1145 HydrophobicContact CE2-CG 4.41Å; F1141-E1145 HydrophobicContact CZ-CG 4.16Å; F1141-E1145 PolarHBondContact O-N 2.87Å; F1141-E1145 VanDerWaalsContact O-N 3.16Å |
| 1142 | W | 70.5 | Confident | 63.5 | Low | 2 Ų | 2 | 69 Ų | 69 | 1% | 0.008 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -66.7 | -37.7 | 177.9 | -64.3 | -10.9 | 0 | 0 | 0 | 114.5 | T1089 R1108 L1111 F1112 L1138 F1139 K1140 S1144 E1145 L1156 | T1089-W1142 HydrophobicContact CG2-CH2 4.48Å; T1089-W1142 HydrophobicContact CG2-CZ2 4.3Å; R1108-W1142 HydrophobicContact CB-CH2 4.06Å; R1108-W1142 HydrophobicContact CB-CZ2 4.27Å; R1108-W1142 HydrophobicContact CG-CE3 4.24Å; R1108-W1142 HydrophobicContact CG-CH2 3.85Å; R1108-W1142 HydrophobicContact CG-CZ2 4.14Å; R1108-W1142 HydrophobicContact CG-CZ3 3.92Å; R1108-W1142 VanDerWaalsContact NH2-NE1 3.11Å; L1111-W1142 HydrophobicContact CB-CH2 4.4Å; L1111-W1142 HydrophobicContact CB-CZ3 4.49Å; L1111-W1142 HydrophobicContact CD1-CH2 3.69Å; L1111-W1142 HydrophobicContact CD1-CZ3 4.44Å; F1112-W1142 HydrophobicContact CD1-CZ3 4.44Å; F1112-W1142 AromaticContact CE1-CE3 3.64Å; F1112-W1142 HydrophobicContact CE1-CE3 3.64Å; F1112-W1142 AromaticContact CE1-CZ3 3.6Å; F1112-W1142 HydrophobicContact CE1-CZ3 3.6Å; F1112-W1142 AromaticContact CZ-CE3 3.81Å; F1112-W1142 HydrophobicContact CZ-CE3 3.81Å; F1112-W1142 AromaticContact CZ-CZ3 3.98Å; F1112-W1142 HydrophobicContact CZ-CZ3 3.98Å; L1138-W1142 HydrophobicContact CD1-CD2 4.26Å; L1138-W1142 VanDerWaalsContact CD1-CE2 3.47Å; L1138-W1142 HydrophobicContact CD1-CH2 4.36Å; L1138-W1142 HydrophobicContact CD1-CZ2 3.57Å; L1138-W1142 HydrophobicContact CD2-CH2 3.68Å; L1138-W1142 HydrophobicContact CD2-CZ2 3.69Å; L1138-W1142 HydrophobicContact CD2-CZ3 4.26Å; L1138-W1142 HydrophobicContact CG-CD2 4.13Å; L1138-W1142 HydrophobicContact CG-CE3 4.38Å; L1138-W1142 HydrophobicContact CG-CH2 3.97Å; L1138-W1142 HydrophobicContact CG-CZ2 3.67Å; L1138-W1142 HydrophobicContact CG-CZ3 4.3Å; L1138-W1142 PolarHBondContact O-N 3.06Å; F1139-W1142 AromaticContact CD1-CE3 3.78Å; F1139-W1142 HydrophobicContact CD1-CE3 3.78Å; F1139-W1142 HydrophobicContact CD1-CZ3 4.02Å; F1139-W1142 HydrophobicContact CE1-CE3 4.07Å; F1139-W1142 AromaticContact CE1-CZ3 3.83Å; F1139-W1142 HydrophobicContact CE1-CZ3 3.83Å; F1139-W1142 PolarHBondContact O-N 3.19Å; K1140-W1142 VanDerWaalsContact C-N 3.3Å; K1140-W1142 PolarHBondContact O-N 2.95Å; W1142-S1144 VanDerWaalsContact C-N 3.26Å; W1142-S1144 PolarHBondContact O-N 3.28Å; W1142-E1145 PolarHBondContact O-N 3.13Å; W1142-L1156 HydrophobicContact CB-CD1 4.23Å; W1142-L1156 HydrophobicContact CB-CD2 4.01Å; W1142-L1156 HydrophobicContact CE3-CD1 4.09Å |
| 1143 | L | 68.4 | Low | 63.2 | Low | 6 Ų | 6 | 69.9 Ų | 69.9 | 3% | 0.031 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -67.4 | -28.4 | 174.3 | -75.7 | 168.6 | 0 | 0 | 0 | 111.9 | F1139 K1140 F1141 M1149 L1156 V1157 L1188 L1191 I1192 V1195 | F1139-L1143 WeakPolarHBondContact O-CB 3.47Å; F1139-L1143 WeakPolarHBondContact O-CG 3.44Å; F1139-L1143 PolarHBondContact O-N 3.25Å; K1140-L1143 PolarHBondContact O-N 3.48Å; F1141-L1143 PolarHBondContact O-N 3.25Å; L1143-M1149 WeakPolarHBondContact O-CE 3.32Å; L1143-L1156 HydrophobicContact CD2-CD2 3.59Å; L1143-L1156 HydrophobicContact CD2-CG 3.8Å; L1143-L1156 HydrophobicContact CG-CD2 3.81Å; L1143-L1156 HydrophobicContact CG-CG 4.07Å; L1143-V1157 HydrophobicContact CD2-CG2 4.21Å; L1143-L1188 HydrophobicContact CD1-CD1 3.54Å; L1143-L1191 HydrophobicContact CB-CB 4.46Å; L1143-L1191 HydrophobicContact CD1-CB 4.18Å; L1143-I1192 HydrophobicContact CD1-CG1 4.12Å; L1143-V1195 HydrophobicContact CD2-CG2 3.96Å |
| 1144 | S | 65 | Low | 63.1 | Low | 68 Ų | 68 | 72.3 Ų | 72.3 | 48% | 0.476 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -79.6 | -24.9 | 178.4 | 76.2 | 0 | 0 | 0 | 0 | 113.7 | K1140 F1141 W1142 K1146 | K1140-S1144 WeakPolarHBondContact O-CB 3.41Å; K1140-S1144 PolarHBondContact O-N 3.37Å; K1140-S1144 PolarHBondContact O-OG 2.93Å; F1141-S1144 PolarHBondContact O-N 3.27Å; F1141-S1144 PolarHBondContact O-OG 3.45Å; W1142-S1144 VanDerWaalsContact C-N 3.26Å; W1142-S1144 PolarHBondContact O-N 3.28Å; S1144-K1146 PolarHBondContact O-N 2.96Å; S1144-K1146 VanDerWaalsContact O-N 3.07Å |
| 1145 | E | 63.8 | Low | 63.1 | Low | 68 Ų | 68 | 75.9 Ų | 75.9 | 32% | 0.318 | 34% | 0.339 | S | S | . | . | trans | -72.7 | 100.6 | 179.6 | -76.6 | -162.8 | 132.4 | 0 | 0 | 112.3 | R1108 F1141 W1142 R1147 V1148 | R1108-E1145 IonicContact NH2-OE2 2.69Å; R1108-E1145 PolarHBondContact NH2-OE2 3.42Å; F1141-E1145 HydrophobicContact CE1-CG 4.39Å; F1141-E1145 HydrophobicContact CE2-CG 4.41Å; F1141-E1145 HydrophobicContact CZ-CG 4.16Å; F1141-E1145 PolarHBondContact O-N 2.87Å; F1141-E1145 VanDerWaalsContact O-N 3.16Å; W1142-E1145 PolarHBondContact O-N 3.13Å; E1145-R1147 PolarHBondContact O-N 2.96Å; E1145-V1148 HydrophobicContact CB-CB 4.42Å; E1145-V1148 HydrophobicContact CB-CG2 3.69Å; E1145-V1148 WeakPolarHBondContact O-CB 3.44Å; E1145-V1148 PolarHBondContact O-N 2.73Å; E1145-V1148 WeakPolarHBondContact OE2-CG2 3.12Å | ||
| 1146 | K | 48.8 | Very low | 63.2 | Low | 184 Ų | 184 | 76 Ų | 76 | 80% | 0.8 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.2 | -28.2 | 178.5 | -70.6 | -174.5 | 179.3 | 178.5 | 0 | 115.1 | S1144 M1149 | S1144-K1146 PolarHBondContact O-N 2.96Å; S1144-K1146 VanDerWaalsContact O-N 3.07Å; K1146-M1149 PolarHBondContact O-N 3.19Å |
| 1147 | R | 45.8 | Very low | 63.3 | Low | 242 Ų | 242 | 76 Ų | 76 | 91% | 0.913 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.6 | -26.6 | 180 | -71.6 | -175.4 | -174.8 | 173.2 | 3.5 | 113 | E1145 M1149 | E1145-R1147 PolarHBondContact O-N 2.96Å; R1147-M1149 PolarHBondContact O-N 3.46Å |
| 1148 | V | 48.1 | Very low | 63.5 | Low | 20 Ų | 20 | 74.2 Ų | 74.2 | 12% | 0.121 | 33% | 0.333 | C | S | . | . | G | 310 helix | trans | -71.7 | -22.1 | 178.3 | -176.8 | 0 | 0 | 0 | 0 | 111 | E1145 R1150 | E1145-V1148 HydrophobicContact CB-CB 4.42Å; E1145-V1148 HydrophobicContact CB-CG2 3.69Å; E1145-V1148 WeakPolarHBondContact O-CB 3.44Å; E1145-V1148 PolarHBondContact O-N 2.73Å; E1145-V1148 WeakPolarHBondContact OE2-CG2 3.12Å; V1148-R1150 PolarHBondContact O-N 2.6Å |
| 1149 | M | 45.3 | Very low | 63.5 | Low | 84 Ų | 84 | 74.2 Ų | 74.2 | 41% | 0.414 | 33% | 0.334 | S | S | . | . | G | 310 helix | trans | -63.2 | -11.1 | -171.2 | -67.1 | -133.2 | -171.5 | 0 | 0 | 116.4 | L1143 K1146 R1147 V1153 V1195 | L1143-M1149 WeakPolarHBondContact O-CE 3.32Å; K1146-M1149 PolarHBondContact O-N 3.19Å; R1147-M1149 PolarHBondContact O-N 3.46Å; M1149-V1153 HydrophobicContact CB-CG2 4.06Å; M1149-V1153 HydrophobicContact CG-CG2 4.33Å; M1149-V1153 VanDerWaalsContact O-CG2 3.28Å; M1149-V1153 WeakPolarHBondContact O-CG2 3.48Å; M1149-V1195 HydrophobicContact CE-CG2 3.86Å; M1149-V1195 HydrophobicContact SD-CG1 4.47Å |
| 1150 | R | 51.4 | Low | 63.7 | Low | 234 Ų | 234 | 73.9 Ų | 73.9 | 88% | 0.883 | 33% | 0.332 | S | S | * | . | G | 310 helix | trans | -89.3 | -24.7 | -174 | -69.9 | -172.1 | 179.6 | 179.4 | -0 | 115.3 | V1148 | V1148-R1150 PolarHBondContact O-N 2.6Š|
| 1151 | R | 52.7 | Low | 63.8 | Low | 236 Ų | 236 | 72.5 Ų | 72.5 | 89% | 0.891 | 33% | 0.326 | S | S | * | . | S | Bend | trans | -150.7 | 109.1 | -179.6 | -67.2 | -173.8 | -179.4 | 172.4 | -0.6 | 109.5 | ||
| 1152 | G | 58.7 | Low | 63.9 | Low | 24 Ų | 24 | 70.5 Ų | 70.5 | 25% | 0.247 | 32% | 0.322 | C | S | . | . | S | Bend | trans | 110.7 | 2.3 | 175 | 0 | 0 | 0 | 0 | 0 | 116.1 | D1154 Q1155 L1156 | G1152-D1154 PolarHBondContact O-N 2.84Å; G1152-Q1155 PolarHBondContact O-N 2.98Å; G1152-L1156 PolarHBondContact O-N 3.44Å |
| 1153 | V | 65.3 | Low | 64.1 | Low | 19 Ų | 19 | 70.5 Ų | 70.5 | 12% | 0.115 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -52.7 | -43.6 | 173 | 169.1 | 0 | 0 | 0 | 0 | 111.8 | M1149 Q1155 L1156 V1157 V1195 | M1149-V1153 HydrophobicContact CB-CG2 4.06Å; M1149-V1153 HydrophobicContact CG-CG2 4.33Å; M1149-V1153 VanDerWaalsContact O-CG2 3.28Å; M1149-V1153 WeakPolarHBondContact O-CG2 3.48Å; V1153-Q1155 PolarHBondContact O-N 3.11Å; V1153-L1156 WeakPolarHBondContact O-CB 3.47Å; V1153-L1156 PolarHBondContact O-N 3.25Å; V1153-V1157 HydrophobicContact CG1-CG2 4.13Å; V1153-V1157 WeakPolarHBondContact O-CB 3.49Å; V1153-V1157 WeakPolarHBondContact O-CG2 3.23Å; V1153-V1157 PolarHBondContact O-N 3.01Å; V1153-V1195 HydrophobicContact CB-CG1 4.48Å; V1153-V1195 HydrophobicContact CG1-CG1 3.15Å |
| 1154 | D | 66.9 | Low | 64.6 | Low | 58 Ų | 58 | 70.4 Ų | 70.4 | 31% | 0.31 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -54.7 | -52.4 | 178.3 | -71.7 | -39 | 0 | 0 | 0 | 112.5 | G1152 L1156 V1157 D1158 R1203 | G1152-D1154 PolarHBondContact O-N 2.84Å; D1154-L1156 VanDerWaalsContact C-N 3.3Å; D1154-L1156 PolarHBondContact O-N 3.5Å; D1154-V1157 PolarHBondContact O-N 2.9Å; D1154-D1158 WeakPolarHBondContact O-CB 3.39Å; D1154-D1158 VanDerWaalsContact O-CG 3.25Å; D1154-D1158 PolarHBondContact O-N 2.67Å; D1154-D1158 VanDerWaalsContact O-OD2 3.09Å; D1154-R1203 IonicContact OD1-CZ 3.33Å; D1154-R1203 IonicContact OD1-NH1 2.74Å; D1154-R1203 PolarHBondContact OD1-NH1 3.35Å; D1154-R1203 IonicContact OD1-NH2 3.49Å; D1154-R1203 PolarHBondContact OD1-NH2 3.31Å |
| 1155 | Q | 68.8 | Low | 65 | Low | 110 Ų | 110 | 69.8 Ų | 69.8 | 51% | 0.514 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -64.8 | -36.7 | 179.3 | -65.5 | 173.2 | -14.9 | 0 | 0 | 111.7 | F1112 G1152 V1153 A1159 | F1112-Q1155 HydrophobicContact CB-CB 4.21Å; F1112-Q1155 HydrophobicContact CD2-CB 4.19Å; F1112-Q1155 HydrophobicContact CG-CB 4.33Å; G1152-Q1155 PolarHBondContact O-N 2.98Å; V1153-Q1155 PolarHBondContact O-N 3.11Å; Q1155-A1159 WeakPolarHBondContact O-CB 3.43Å; Q1155-A1159 PolarHBondContact O-N 3.5Å |
| 1156 | L | 72.2 | Confident | 65.1 | Low | 2 Ų | 2 | 67.7 Ų | 67.7 | 1% | 0.01 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -66.2 | -45.9 | 176.1 | 172.8 | 61.9 | 0 | 0 | 0 | 111.3 | F1112 F1139 W1142 L1143 G1152 V1153 D1154 A1159 C1160 | F1112-L1156 HydrophobicContact CD1-CD1 4.38Å; F1112-L1156 HydrophobicContact CE1-CB 3.86Å; F1112-L1156 HydrophobicContact CE1-CD1 3.35Å; F1112-L1156 HydrophobicContact CE1-CG 4.17Å; F1112-L1156 HydrophobicContact CE2-CB 4.36Å; F1112-L1156 HydrophobicContact CZ-CB 3.75Å; F1112-L1156 HydrophobicContact CZ-CD1 3.72Å; F1112-L1156 HydrophobicContact CZ-CG 4.21Å; F1139-L1156 HydrophobicContact CD1-CD1 3.55Å; F1139-L1156 HydrophobicContact CE1-CD1 4.23Å; F1139-L1156 HydrophobicContact CG-CD1 4.48Å; W1142-L1156 HydrophobicContact CB-CD1 4.23Å; W1142-L1156 HydrophobicContact CB-CD2 4.01Å; W1142-L1156 HydrophobicContact CE3-CD1 4.09Å; L1143-L1156 HydrophobicContact CD2-CD2 3.59Å; L1143-L1156 HydrophobicContact CD2-CG 3.8Å; L1143-L1156 HydrophobicContact CG-CD2 3.81Å; L1143-L1156 HydrophobicContact CG-CG 4.07Å; G1152-L1156 PolarHBondContact O-N 3.44Å; V1153-L1156 WeakPolarHBondContact O-CB 3.47Å; V1153-L1156 PolarHBondContact O-N 3.25Å; D1154-L1156 VanDerWaalsContact C-N 3.3Å; D1154-L1156 PolarHBondContact O-N 3.5Å; L1156-A1159 WeakPolarHBondContact O-CB 2.89Å; L1156-A1159 PolarHBondContact O-N 2.95Å; L1156-C1160 PolarHBondContact O-N 3.47Å; L1156-C1160 PolarHBondContact O-SG 3.2Å |
| 1157 | V | 76 | Confident | 66 | Low | 1 Ų | 1 | 59.2 Ų | 59.2 | 1% | 0.006 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -65 | -43.4 | 177.7 | 170.2 | 0 | 0 | 0 | 0 | 110.7 | L1143 V1153 D1154 A1159 C1160 H1161 I1192 V1195 | L1143-V1157 HydrophobicContact CD2-CG2 4.21Å; V1153-V1157 HydrophobicContact CG1-CG2 4.13Å; V1153-V1157 WeakPolarHBondContact O-CB 3.49Å; V1153-V1157 WeakPolarHBondContact O-CG2 3.23Å; V1153-V1157 PolarHBondContact O-N 3.01Å; D1154-V1157 PolarHBondContact O-N 2.9Å; V1157-A1159 VanDerWaalsContact C-N 3.33Å; V1157-A1159 PolarHBondContact O-N 2.9Å; V1157-C1160 PolarHBondContact O-N 3.35Å; V1157-H1161 PolarHBondContact O-CD2 2.96Å; V1157-H1161 VanDerWaalsContact O-CD2 3.23Å; V1157-H1161 PolarHBondContact O-N 3.19Å; V1157-I1192 HydrophobicContact CG1-CG2 3.94Å; V1157-V1195 HydrophobicContact CG2-CG1 4.15Å |
| 1158 | D | 73.5 | Confident | 67 | Low | 63 Ų | 63 | 49.7 Ų | 49.7 | 34% | 0.337 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -61.4 | -41.3 | 175.2 | -71.7 | -33.7 | 0 | 0 | 0 | 111.9 | D1154 H1161 T1162 R1203 | D1154-D1158 WeakPolarHBondContact O-CB 3.39Å; D1154-D1158 VanDerWaalsContact O-CG 3.25Å; D1154-D1158 PolarHBondContact O-N 2.67Å; D1154-D1158 VanDerWaalsContact O-OD2 3.09Å; D1158-H1161 PolarHBondContact O-N 3.05Å; D1158-T1162 PolarHBondContact O-N 3.21Å; D1158-T1162 PolarHBondContact O-OG1 3.48Å; D1158-R1203 VanDerWaalsContact CG-NE 3.29Å; D1158-R1203 VanDerWaalsContact OD1-CD 3.3Å; D1158-R1203 WeakPolarHBondContact OD1-CD 3.32Å; D1158-R1203 IonicContact OD1-CZ 2.8Å; D1158-R1203 IonicContact OD1-NE 2.99Å; D1158-R1203 PolarHBondContact OD1-NE 3.06Å; D1158-R1203 IonicContact OD1-NH2 3.99Å; D1158-R1203 IonicContact OD2-CZ 3.04Å; D1158-R1203 IonicContact OD2-NE 3.83Å; D1158-R1203 PolarHBondContact OD2-NE 2.94Å; D1158-R1203 IonicContact OD2-NH2 2.68Å; D1158-R1203 PolarHBondContact OD2-NH2 3.33Å |
| 1159 | A | 72.6 | Confident | 68 | Low | 3 Ų | 3 | 48.9 Ų | 48.9 | 3% | 0.025 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.5 | -43.9 | 174 | 0 | 0 | 0 | 0 | 0 | 111.8 | F1112 A1115 F1139 Q1155 L1156 V1157 T1162 L1163 | F1112-A1159 HydrophobicContact CD1-CB 3.98Å; A1115-A1159 HydrophobicContact CB-CB 3.52Å; F1139-A1159 HydrophobicContact CE1-CB 4.35Å; Q1155-A1159 WeakPolarHBondContact O-CB 3.43Å; Q1155-A1159 PolarHBondContact O-N 3.5Å; L1156-A1159 WeakPolarHBondContact O-CB 2.89Å; L1156-A1159 PolarHBondContact O-N 2.95Å; V1157-A1159 VanDerWaalsContact C-N 3.33Å; V1157-A1159 PolarHBondContact O-N 2.9Å; A1159-T1162 PolarHBondContact O-N 3.05Å; A1159-L1163 WeakPolarHBondContact O-CB 3.37Å; A1159-L1163 PolarHBondContact O-N 3.37Å |
| 1160 | C | 78.7 | Confident | 69 | Low | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -63.5 | -44 | 177.5 | -64.4 | 0 | 0 | 0 | 0 | 111.6 | L1156 V1157 T1162 L1163 L1164 L1188 I1192 | L1156-C1160 PolarHBondContact O-N 3.47Å; L1156-C1160 PolarHBondContact O-SG 3.2Å; V1157-C1160 PolarHBondContact O-N 3.35Å; C1160-T1162 VanDerWaalsContact C-N 3.34Å; C1160-T1162 PolarHBondContact O-N 3.41Å; C1160-L1163 PolarHBondContact O-N 3.49Å; C1160-L1164 WeakPolarHBondContact O-CB 3.46Å; C1160-L1164 VanDerWaalsContact O-CG 3.26Å; C1160-L1164 WeakPolarHBondContact O-CG 3.33Å; C1160-L1164 PolarHBondContact O-N 3.05Å; C1160-L1188 HydrophobicContact CB-CD2 4.27Å; C1160-L1188 HydrophobicContact CB-CG 4.49Å; C1160-I1192 HydrophobicContact CB-CD1 3.66Å; C1160-I1192 HydrophobicContact CB-CG1 4.15Å |
| 1161 | H | 77.5 | Confident | 69.5 | Low | 8 Ų | 8 | 37.7 Ų | 37.7 | 4% | 0.037 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -60.6 | -44.2 | 175.4 | -81.5 | -53.9 | 0 | 0 | 0 | 112.5 | V1157 D1158 L1164 A1165 F1207 T1210 | V1157-H1161 PolarHBondContact O-CD2 2.96Å; V1157-H1161 VanDerWaalsContact O-CD2 3.23Å; V1157-H1161 PolarHBondContact O-N 3.19Å; D1158-H1161 PolarHBondContact O-N 3.05Å; H1161-L1164 PolarHBondContact O-N 3.3Å; H1161-A1165 WeakPolarHBondContact O-CB 3.31Å; H1161-A1165 PolarHBondContact O-N 2.9Å; H1161-F1207 WeakPolarHBondContact CE1-CA 3.48Å; H1161-F1207 VanDerWaalsContact CE1-CB 3.42Å; H1161-F1207 WeakPolarHBondContact CE1-CB 3.19Å; H1161-F1207 AromaticContact CE1-CD2 3.67Å; H1161-T1210 PolarHBondContact ND1-OG1 3.12Å |
| 1162 | T | 72.1 | Confident | 70.2 | Confident | 49 Ų | 49 | 26.5 Ų | 26.5 | 30% | 0.301 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -69.5 | -38.4 | -178.1 | -43 | 0 | 0 | 0 | 0 | 111.4 | H1116 D1158 A1159 C1160 A1165 S1166 | H1116-T1162 VanDerWaalsContact CA-CG2 3.45Å; H1116-T1162 HydrophobicContact CB-CG2 3.85Å; D1158-T1162 PolarHBondContact O-N 3.21Å; D1158-T1162 PolarHBondContact O-OG1 3.48Å; A1159-T1162 PolarHBondContact O-N 3.05Å; C1160-T1162 VanDerWaalsContact C-N 3.34Å; C1160-T1162 PolarHBondContact O-N 3.41Å; T1162-A1165 PolarHBondContact O-N 2.98Å; T1162-S1166 WeakPolarHBondContact O-CB 3.33Å; T1162-S1166 PolarHBondContact O-N 3.44Å |
| 1163 | L | 74.7 | Confident | 70.5 | Confident | 2 Ų | 2 | 27.2 Ų | 27.2 | 1% | 0.01 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -58.1 | -52.4 | 172.4 | -170.8 | 81.6 | 0 | 0 | 0 | 111.3 | F1120 F1132 A1135 F1139 A1159 C1160 A1165 S1166 | F1120-L1163 HydrophobicContact CE2-CD1 3.69Å; F1120-L1163 HydrophobicContact CZ-CD1 3.89Å; F1132-L1163 HydrophobicContact CD2-CD1 4.44Å; F1132-L1163 HydrophobicContact CD2-CG 4.36Å; F1132-L1163 HydrophobicContact CE1-CD2 4.29Å; F1132-L1163 HydrophobicContact CE1-CG 4.49Å; F1132-L1163 HydrophobicContact CE2-CD1 4.05Å; F1132-L1163 HydrophobicContact CE2-CD2 4.21Å; F1132-L1163 HydrophobicContact CE2-CG 3.62Å; F1132-L1163 WeakPolarHBondContact CE2-O 3.21Å; F1132-L1163 HydrophobicContact CZ-CD2 3.98Å; F1132-L1163 HydrophobicContact CZ-CG 3.71Å; F1132-L1163 WeakPolarHBondContact CZ-O 3.41Å; A1135-L1163 HydrophobicContact CB-CD2 4.25Å; F1139-L1163 HydrophobicContact CD2-CD2 3.68Å; F1139-L1163 HydrophobicContact CE2-CD1 4.4Å; F1139-L1163 HydrophobicContact CE2-CD2 3.69Å; F1139-L1163 HydrophobicContact CE2-CG 4.47Å; A1159-L1163 WeakPolarHBondContact O-CB 3.37Å; A1159-L1163 PolarHBondContact O-N 3.37Å; C1160-L1163 PolarHBondContact O-N 3.49Å; L1163-A1165 PolarHBondContact O-N 2.68Å; L1163-S1166 WeakPolarHBondContact O-CB 3.43Å; L1163-S1166 PolarHBondContact O-N 3.43Å; L1163-S1166 VanDerWaalsContact O-N 3.08Å; L1163-S1166 PolarHBondContact O-OG 3.33Å |
| 1164 | L | 77.7 | Confident | 70.4 | Confident | 3 Ų | 3 | 32.2 Ų | 32.2 | 2% | 0.016 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -61.5 | -31.7 | 178.9 | -68.9 | 171 | 0 | 0 | 0 | 112.6 | F1132 C1160 H1161 E1185 L1188 I1192 T1210 | F1132-L1164 HydrophobicContact CE1-CD2 4.41Å; F1132-L1164 HydrophobicContact CZ-CD2 4.35Å; C1160-L1164 WeakPolarHBondContact O-CB 3.46Å; C1160-L1164 VanDerWaalsContact O-CG 3.26Å; C1160-L1164 WeakPolarHBondContact O-CG 3.33Å; C1160-L1164 PolarHBondContact O-N 3.05Å; H1161-L1164 PolarHBondContact O-N 3.3Å; L1164-E1185 HydrophobicContact CD2-CB 3.79Å; L1164-E1185 HydrophobicContact CD2-CG 3.58Å; L1164-L1188 HydrophobicContact CD1-CD2 4.23Å; L1164-L1188 HydrophobicContact CD1-CG 4.42Å; L1164-L1188 HydrophobicContact CD2-CD2 4.23Å; L1164-L1188 HydrophobicContact CG-CD2 4.21Å; L1164-I1192 HydrophobicContact CD1-CD1 3.97Å; L1164-T1210 HydrophobicContact CB-CG2 3.82Å; L1164-T1210 HydrophobicContact CD1-CG2 3.58Å; L1164-T1210 HydrophobicContact CG-CG2 4.26Å |
| 1165 | A | 73.7 | Confident | 70.2 | Confident | 55 Ų | 55 | 29.9 Ų | 29.9 | 46% | 0.455 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -77.1 | -25.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | H1161 T1162 L1163 L1167 L1213 | H1161-A1165 WeakPolarHBondContact O-CB 3.31Å; H1161-A1165 PolarHBondContact O-N 2.9Å; T1162-A1165 PolarHBondContact O-N 2.98Å; L1163-A1165 PolarHBondContact O-N 2.68Å; A1165-L1167 VanDerWaalsContact C-N 3.33Å; A1165-L1167 PolarHBondContact O-N 3.34Å; A1165-L1213 HydrophobicContact CB-CD1 4.45Å |
| 1166 | S | 67.5 | Low | 69.8 | Low | 25 Ų | 25 | 29.9 Ų | 29.9 | 18% | 0.175 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -74.8 | -17.9 | -174.2 | 72.6 | 0 | 0 | 0 | 0 | 114.7 | V1118 F1120 T1162 L1163 | V1118-S1166 WeakPolarHBondContact O-CB 3.03Å; F1120-S1166 VanDerWaalsContact CD2-OG 3.22Å; F1120-S1166 WeakPolarHBondContact CD2-OG 3.31Å; F1120-S1166 WeakPolarHBondContact CE2-OG 3.41Å; T1162-S1166 WeakPolarHBondContact O-CB 3.33Å; T1162-S1166 PolarHBondContact O-N 3.44Å; L1163-S1166 WeakPolarHBondContact O-CB 3.43Å; L1163-S1166 PolarHBondContact O-N 3.43Å; L1163-S1166 VanDerWaalsContact O-N 3.08Å; L1163-S1166 PolarHBondContact O-OG 3.33Å |
| 1167 | L | 67.4 | Low | 69.6 | Low | 5 Ų | 5 | 31.1 Ų | 31.1 | 3% | 0.026 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -92.2 | 125.5 | -173.8 | -159.1 | 100 | 0 | 0 | 0 | 110.7 | F1120 F1132 A1165 L1169 L1172 L1181 | F1120-L1167 HydrophobicContact CB-CD1 3.77Å; F1120-L1167 HydrophobicContact CD1-CD1 4.1Å; F1120-L1167 HydrophobicContact CD2-CD1 4.09Å; F1120-L1167 HydrophobicContact CG-CD1 3.73Å; F1132-L1167 HydrophobicContact CB-CD1 4.26Å; F1132-L1167 HydrophobicContact CD2-CB 4.29Å; F1132-L1167 HydrophobicContact CD2-CD1 3.34Å; F1132-L1167 HydrophobicContact CD2-CG 4.3Å; F1132-L1167 HydrophobicContact CE2-CB 3.78Å; F1132-L1167 HydrophobicContact CE2-CD1 3.75Å; F1132-L1167 HydrophobicContact CE2-CG 4.27Å; F1132-L1167 HydrophobicContact CG-CD1 3.89Å; F1132-L1167 HydrophobicContact CZ-CB 4.2Å; A1165-L1167 VanDerWaalsContact C-N 3.33Å; A1165-L1167 PolarHBondContact O-N 3.34Å; L1167-L1169 HydrophobicContact CD2-CD2 3.4Å; L1167-L1169 VanDerWaalsContact CD2-CD2 3.4Å; L1167-L1169 HydrophobicContact CD2-CG 3.81Å; L1167-L1169 PolarHBondContact O-N 3.07Å; L1167-L1172 HydrophobicContact CD1-CD1 3.86Å; L1167-L1172 HydrophobicContact CD2-CD1 3.5Å; L1167-L1172 HydrophobicContact CG-CD1 3.6Å; L1167-L1181 HydrophobicContact CD2-CD2 3.61Å; L1167-L1181 HydrophobicContact CD2-CG 4.48Å |
| 1168 | P | 66.9 | Low | 69.3 | Low | 42 Ų | 42 | 31.2 Ų | 31.2 | 27% | 0.273 | 19% | 0.19 | S | C | . | . | trans | -77.2 | 67.7 | 173.4 | 32.9 | -34.8 | 0 | 0 | 0 | 110 | P1122 N1170 S1171 L1172 | P1122-P1168 HydrophobicContact CB-CG 3.89Å; P1168-N1170 PolarHBondContact O-N 3.11Å; P1168-S1171 WeakPolarHBondContact CB-OG 3.42Å; P1168-S1171 PolarHBondContact O-N 3.27Å; P1168-S1171 PolarHBondContact O-OG 3.49Å; P1168-L1172 PolarHBondContact O-N 3.39Å | ||
| 1169 | L | 68.1 | Low | 69.1 | Low | 4 Ų | 4 | 31.1 Ų | 31.1 | 2% | 0.021 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -47.1 | -35.5 | 179.7 | -73 | 165.1 | 0 | 0 | 0 | 112.9 | L1167 S1171 L1172 Y1173 F1178 F1182 E1185 L1213 L1214 A1217 | L1167-L1169 HydrophobicContact CD2-CD2 3.4Å; L1167-L1169 VanDerWaalsContact CD2-CD2 3.4Å; L1167-L1169 HydrophobicContact CD2-CG 3.81Å; L1167-L1169 PolarHBondContact O-N 3.07Å; L1169-S1171 VanDerWaalsContact C-N 3.26Å; L1169-S1171 PolarHBondContact O-N 3.33Å; L1169-L1172 PolarHBondContact O-N 2.9Å; L1169-L1172 VanDerWaalsContact O-N 3.17Å; L1169-Y1173 PolarHBondContact O-N 2.91Å; L1169-F1178 HydrophobicContact CD2-CE2 3.86Å; L1169-F1178 HydrophobicContact CD2-CZ 4.38Å; L1169-F1182 HydrophobicContact CD2-CD2 4.36Å; L1169-E1185 VanDerWaalsContact CD1-OE2 3.25Å; L1169-E1185 WeakPolarHBondContact CD1-OE2 3.31Å; L1169-E1185 WeakPolarHBondContact CD2-OE1 3.41Å; L1169-E1185 WeakPolarHBondContact CD2-OE2 3.21Å; L1169-L1213 HydrophobicContact CD1-CB 4.49Å; L1169-L1214 HydrophobicContact CD1-CD2 4.22Å; L1169-A1217 HydrophobicContact CB-CB 3.68Å; L1169-A1217 HydrophobicContact CD1-CB 4.21Å; L1169-A1217 HydrophobicContact CG-CB 4.46Å |
| 1170 | N | 66 | Low | 68.9 | Low | 37 Ų | 37 | 34.7 Ų | 34.7 | 20% | 0.198 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.1 | -23.5 | 178.1 | -76.4 | -20.2 | 0 | 0 | 0 | 115.3 | P1168 Y1173 N1216 R1220 | P1168-N1170 PolarHBondContact O-N 3.11Å; N1170-Y1173 VanDerWaalsContact O-CD1 3.23Å; N1170-Y1173 WeakPolarHBondContact O-CD1 3.2Å; N1170-Y1173 WeakPolarHBondContact O-CE1 3.33Å; N1170-N1216 PolarHBondContact ND2-ND2 2.8Å; N1170-R1220 PolarHBondContact O-NH1 3.49Å |
| 1171 | S | 63.4 | Low | 68.6 | Low | 46 Ų | 46 | 34.7 Ų | 34.7 | 32% | 0.322 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -94.6 | -28.6 | 172.2 | 59.6 | 0 | 0 | 0 | 0 | 112.3 | P1168 L1169 | P1168-S1171 WeakPolarHBondContact CB-OG 3.42Å; P1168-S1171 PolarHBondContact O-N 3.27Å; P1168-S1171 PolarHBondContact O-OG 3.49Å; L1169-S1171 VanDerWaalsContact C-N 3.26Å; L1169-S1171 PolarHBondContact O-N 3.33Å |
| 1172 | L | 66.4 | Low | 68.6 | Low | 1 Ų | 1 | 34.4 Ų | 34.4 | 1% | 0.005 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -86.3 | -8.6 | -171.2 | -66.5 | 170.7 | 0 | 0 | 0 | 115.2 | L1167 P1168 L1169 K1174 A1175 F1178 | L1167-L1172 HydrophobicContact CD1-CD1 3.86Å; L1167-L1172 HydrophobicContact CD2-CD1 3.5Å; L1167-L1172 HydrophobicContact CG-CD1 3.6Å; P1168-L1172 PolarHBondContact O-N 3.39Å; L1169-L1172 PolarHBondContact O-N 2.9Å; L1169-L1172 VanDerWaalsContact O-N 3.17Å; L1172-K1174 PolarHBondContact O-N 3.43Å; L1172-A1175 WeakPolarHBondContact O-CB 3.48Å; L1172-A1175 PolarHBondContact O-N 3.33Å; L1172-F1178 HydrophobicContact CB-CD2 4.16Å; L1172-F1178 HydrophobicContact CB-CE2 4.42Å; L1172-F1178 WeakPolarHBondContact O-CD2 3.36Å |
| 1173 | Y | 65.8 | Low | 68.8 | Low | 38 Ų | 38 | 35.9 Ų | 35.9 | 15% | 0.149 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -13 | -178 | 77.2 | -85.4 | 0 | 0 | 0 | 115.7 | L1169 N1170 R1220 | L1169-Y1173 PolarHBondContact O-N 2.91Å; N1170-Y1173 VanDerWaalsContact O-CD1 3.23Å; N1170-Y1173 WeakPolarHBondContact O-CD1 3.2Å; N1170-Y1173 WeakPolarHBondContact O-CE1 3.33Å; Y1173-R1220 HydrophobicContact CD1-CB 4.43Å; Y1173-R1220 HydrophobicContact CG-CB 4.4Å |
| 1174 | K | 62.2 | Low | 69 | Low | 125 Ų | 125 | 36.6 Ų | 36.6 | 54% | 0.543 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.5 | -10.2 | 175.7 | -58.4 | -169.9 | -168.4 | 173.9 | 0 | 113.9 | L1172 R1226 | L1172-K1174 PolarHBondContact O-N 3.43Å; K1174-R1226 VanDerWaalsContact CE-NH1 3.26Å |
| 1175 | A | 62.6 | Low | 69.1 | Low | 9 Ų | 9 | 36.5 Ų | 36.5 | 7% | 0.074 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -78.6 | 145.9 | -174.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | I1129 L1172 G1177 F1178 | I1129-A1175 HydrophobicContact CD1-CB 3.38Å; L1172-A1175 WeakPolarHBondContact O-CB 3.48Å; L1172-A1175 PolarHBondContact O-N 3.33Å; A1175-G1177 PolarHBondContact O-N 3.36Å; A1175-F1178 WeakPolarHBondContact O-CB 3.39Å; A1175-F1178 PolarHBondContact O-N 3.34Å |
| 1176 | P | 61.8 | Low | 69.5 | Low | 109 Ų | 109 | 34.1 Ų | 34.1 | 71% | 0.708 | 20% | 0.195 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | 132.6 | 175.1 | -20.7 | 31.4 | 0 | 0 | 0 | 111.3 | ||
| 1177 | G | 67.3 | Low | 70.1 | Confident | 29 Ų | 29 | 34.4 Ų | 34.4 | 30% | 0.299 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 84.5 | 6.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | A1175 D1179 V1180 L1181 | A1175-G1177 PolarHBondContact O-N 3.36Å; G1177-D1179 VanDerWaalsContact C-OD1 3.25Å; G1177-D1179 VanDerWaalsContact CA-OD1 3.32Å; G1177-D1179 WeakPolarHBondContact CA-OD1 3.46Å; G1177-D1179 PolarHBondContact O-N 3.3Å; G1177-V1180 PolarHBondContact O-N 3.28Å; G1177-L1181 PolarHBondContact O-N 3.4Å; G1177-L1181 VanDerWaalsContact O-N 3.11Å |
| 1178 | F | 68.9 | Low | 70.8 | Confident | 3 Ų | 3 | 34.1 Ų | 34.1 | 1% | 0.013 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -58.1 | -31.3 | 175.1 | 178.2 | -97.9 | 0 | 0 | 0 | 113 | L1169 L1172 A1175 L1181 F1182 A1217 Y1221 | L1169-F1178 HydrophobicContact CD2-CE2 3.86Å; L1169-F1178 HydrophobicContact CD2-CZ 4.38Å; L1172-F1178 HydrophobicContact CB-CD2 4.16Å; L1172-F1178 HydrophobicContact CB-CE2 4.42Å; L1172-F1178 WeakPolarHBondContact O-CD2 3.36Å; A1175-F1178 WeakPolarHBondContact O-CB 3.39Å; A1175-F1178 PolarHBondContact O-N 3.34Å; F1178-L1181 HydrophobicContact CD2-CD2 4.34Å; F1178-L1181 WeakPolarHBondContact O-CB 3.46Å; F1178-L1181 PolarHBondContact O-N 3.21Å; F1178-F1182 HydrophobicContact CE1-CB 4.2Å; F1178-F1182 HydrophobicContact CE1-CD2 4.14Å; F1178-F1182 HydrophobicContact CE1-CG 4.28Å; F1178-F1182 HydrophobicContact CZ-CB 4.43Å; F1178-F1182 AromaticContact CZ-CD2 3.78Å; F1178-F1182 HydrophobicContact CZ-CD2 3.78Å; F1178-F1182 HydrophobicContact CZ-CE2 4.48Å; F1178-F1182 HydrophobicContact CZ-CG 4.36Å; F1178-F1182 VanDerWaalsContact O-CB 3.25Å; F1178-F1182 WeakPolarHBondContact O-CB 3.41Å; F1178-F1182 PolarHBondContact O-N 2.85Å; F1178-A1217 HydrophobicContact CZ-CB 4.35Å; F1178-Y1221 AromaticContact CD1-CD2 3.55Å; F1178-Y1221 HydrophobicContact CD1-CD2 3.55Å; F1178-Y1221 AromaticContact CD1-CE2 3.71Å; F1178-Y1221 HydrophobicContact CD1-CE2 3.71Å; F1178-Y1221 HydrophobicContact CD1-CG 4.18Å; F1178-Y1221 AromaticContact CE1-CD2 3.68Å; F1178-Y1221 HydrophobicContact CE1-CD2 3.68Å; F1178-Y1221 HydrophobicContact CE1-CE2 4.28Å; F1178-Y1221 AromaticContact CE1-CG 3.9Å; F1178-Y1221 HydrophobicContact CE1-CG 3.9Å |
| 1179 | D | 69.7 | Low | 71.5 | Confident | 60 Ų | 60 | 32.1 Ų | 32.1 | 32% | 0.321 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -62 | -46.6 | 174.8 | 57.8 | -36.7 | 0 | 0 | 0 | 112.6 | G1177 F1182 H1183 V1234 | G1177-D1179 VanDerWaalsContact C-OD1 3.25Å; G1177-D1179 VanDerWaalsContact CA-OD1 3.32Å; G1177-D1179 WeakPolarHBondContact CA-OD1 3.46Å; G1177-D1179 PolarHBondContact O-N 3.3Å; D1179-F1182 PolarHBondContact O-N 3.3Å; D1179-H1183 WeakPolarHBondContact O-CB 3.37Å; D1179-H1183 PolarHBondContact O-N 3.47Å; D1179-V1234 HydrophobicContact CB-CG1 3.56Å |
| 1180 | V | 69.5 | Low | 72.1 | Confident | 79 Ų | 79 | 33.7 Ų | 33.7 | 48% | 0.479 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -61.8 | -47.1 | 175.1 | -179.4 | 0 | 0 | 0 | 0 | 109.7 | G1177 F1182 H1183 E1184 | G1177-V1180 PolarHBondContact O-N 3.28Å; V1180-F1182 PolarHBondContact O-N 2.99Å; V1180-H1183 PolarHBondContact O-N 2.98Å; V1180-E1184 HydrophobicContact CG1-CG 4.42Å; V1180-E1184 WeakPolarHBondContact O-CB 3.29Å; V1180-E1184 VanDerWaalsContact O-CG 3.23Å; V1180-E1184 WeakPolarHBondContact O-CG 3.45Å; V1180-E1184 PolarHBondContact O-N 3.47Å |
| 1181 | L | 70.7 | Confident | 72.6 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -56.2 | -51 | 176.8 | -173.4 | 64.8 | 0 | 0 | 0 | 112.6 | I1129 F1132 L1167 G1177 F1178 H1183 E1184 E1185 | I1129-L1181 HydrophobicContact CB-CD2 4.43Å; I1129-L1181 HydrophobicContact CD1-CD2 4.5Å; I1129-L1181 HydrophobicContact CG1-CD2 4.02Å; I1129-L1181 HydrophobicContact CG2-CB 3.85Å; I1129-L1181 HydrophobicContact CG2-CD1 4.32Å; I1129-L1181 HydrophobicContact CG2-CD2 4.07Å; I1129-L1181 HydrophobicContact CG2-CG 4.32Å; F1132-L1181 HydrophobicContact CB-CD1 3.7Å; F1132-L1181 HydrophobicContact CD1-CD1 3.33Å; F1132-L1181 HydrophobicContact CD1-CG 4.49Å; F1132-L1181 HydrophobicContact CE1-CD1 4.21Å; F1132-L1181 HydrophobicContact CG-CD1 3.78Å; L1167-L1181 HydrophobicContact CD2-CD2 3.61Å; L1167-L1181 HydrophobicContact CD2-CG 4.48Å; G1177-L1181 PolarHBondContact O-N 3.4Å; G1177-L1181 VanDerWaalsContact O-N 3.11Å; F1178-L1181 HydrophobicContact CD2-CD2 4.34Å; F1178-L1181 WeakPolarHBondContact O-CB 3.46Å; F1178-L1181 PolarHBondContact O-N 3.21Å; L1181-H1183 VanDerWaalsContact C-N 3.29Å; L1181-H1183 PolarHBondContact O-N 3.06Å; L1181-E1184 WeakPolarHBondContact O-CB 3.39Å; L1181-E1184 PolarHBondContact O-N 2.89Å; L1181-E1184 VanDerWaalsContact O-N 3.15Å; L1181-E1185 WeakPolarHBondContact O-CG 3.25Å; L1181-E1185 PolarHBondContact O-N 3.34Å |
| 1182 | F | 77.2 | Confident | 73.3 | Confident | 1 Ų | 1 | 31.8 Ų | 31.8 | 0% | 0.004 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -66 | -35.8 | -175.7 | -160.4 | -100 | 0 | 0 | 0 | 111.4 | L1169 F1178 D1179 V1180 L1186 L1214 A1217 L1218 I1238 | L1169-F1182 HydrophobicContact CD2-CD2 4.36Å; F1178-F1182 HydrophobicContact CE1-CB 4.2Å; F1178-F1182 HydrophobicContact CE1-CD2 4.14Å; F1178-F1182 HydrophobicContact CE1-CG 4.28Å; F1178-F1182 HydrophobicContact CZ-CB 4.43Å; F1178-F1182 AromaticContact CZ-CD2 3.78Å; F1178-F1182 HydrophobicContact CZ-CD2 3.78Å; F1178-F1182 HydrophobicContact CZ-CE2 4.48Å; F1178-F1182 HydrophobicContact CZ-CG 4.36Å; F1178-F1182 VanDerWaalsContact O-CB 3.25Å; F1178-F1182 WeakPolarHBondContact O-CB 3.41Å; F1178-F1182 PolarHBondContact O-N 2.85Å; D1179-F1182 PolarHBondContact O-N 3.3Å; V1180-F1182 PolarHBondContact O-N 2.99Å; F1182-L1186 HydrophobicContact CD1-CD1 3.69Å; F1182-L1186 HydrophobicContact CD1-CG 4.19Å; F1182-L1186 HydrophobicContact CE1-CD1 3.62Å; F1182-L1186 HydrophobicContact CE1-CD2 4.44Å; F1182-L1186 HydrophobicContact CE1-CG 4.02Å; F1182-L1186 WeakPolarHBondContact O-CB 3.48Å; F1182-L1186 WeakPolarHBondContact O-CG 3.42Å; F1182-L1186 PolarHBondContact O-N 3.02Å; F1182-L1214 HydrophobicContact CD2-CD2 4.33Å; F1182-L1214 HydrophobicContact CE2-CB 4.5Å; F1182-L1214 HydrophobicContact CE2-CD2 3.71Å; F1182-L1214 HydrophobicContact CZ-CB 4.3Å; F1182-L1214 HydrophobicContact CZ-CD2 4.04Å; F1182-L1214 VanDerWaalsContact CZ-O 3.27Å; F1182-L1214 WeakPolarHBondContact CZ-O 3.43Å; F1182-A1217 HydrophobicContact CD2-CB 4.37Å; F1182-A1217 HydrophobicContact CE2-CB 3.61Å; F1182-A1217 HydrophobicContact CZ-CB 4.36Å; F1182-L1218 HydrophobicContact CE1-CB 4.49Å; F1182-L1218 HydrophobicContact CZ-CB 4.14Å; F1182-I1238 HydrophobicContact CB-CD1 4.45Å; F1182-I1238 HydrophobicContact CD1-CB 4.33Å; F1182-I1238 HydrophobicContact CD1-CD1 4.13Å; F1182-I1238 HydrophobicContact CD1-CG1 4.2Å; F1182-I1238 HydrophobicContact CD1-CG2 3.24Å; F1182-I1238 HydrophobicContact CE1-CG2 3.23Å; F1182-I1238 HydrophobicContact CG-CG2 4.48Å; F1182-I1238 HydrophobicContact CZ-CG2 4.48Å |
| 1183 | H | 76.6 | Confident | 73.6 | Confident | 81 Ų | 81 | 31.8 Ų | 31.8 | 38% | 0.375 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -63.4 | -45.4 | 171.8 | -179 | -74.9 | 0 | 0 | 0 | 112.1 | D1179 V1180 L1181 E1185 L1186 S1187 | D1179-H1183 WeakPolarHBondContact O-CB 3.37Å; D1179-H1183 PolarHBondContact O-N 3.47Å; V1180-H1183 PolarHBondContact O-N 2.98Å; L1181-H1183 VanDerWaalsContact C-N 3.29Å; L1181-H1183 PolarHBondContact O-N 3.06Å; H1183-E1185 VanDerWaalsContact C-N 3.31Å; H1183-E1185 PolarHBondContact O-N 2.9Å; H1183-L1186 PolarHBondContact O-N 3.09Å; H1183-S1187 PolarHBondContact CE1-OG 2.9Å; H1183-S1187 WeakPolarHBondContact O-CB 3.39Å; H1183-S1187 PolarHBondContact O-N 3.44Å; H1183-S1187 PolarHBondContact O-OG 3.41Å |
| 1184 | E | 80.1 | Confident | 73.8 | Confident | 16 Ų | 16 | 34.6 Ų | 34.6 | 8% | 0.075 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -60.9 | -41 | 178.3 | -73.6 | -60.1 | 108.1 | 0 | 0 | 111.8 | A1133 C1136 E1137 K1140 V1180 L1181 S1187 L1188 | A1133-E1184 HydrophobicContact CB-CG 4.41Å; C1136-E1184 HydrophobicContact CB-CB 4.09Å; E1137-E1184 VanDerWaalsContact CG-OE2 3.23Å; E1137-E1184 WeakPolarHBondContact CG-OE2 3.36Å; K1140-E1184 WeakPolarHBondContact CE-OE2 3.34Å; K1140-E1184 IonicContact NZ-OE1 2.84Å; K1140-E1184 PolarHBondContact NZ-OE1 3.26Å; K1140-E1184 IonicContact NZ-OE2 2.89Å; K1140-E1184 PolarHBondContact NZ-OE2 3.47Å; V1180-E1184 HydrophobicContact CG1-CG 4.42Å; V1180-E1184 WeakPolarHBondContact O-CB 3.29Å; V1180-E1184 VanDerWaalsContact O-CG 3.23Å; V1180-E1184 WeakPolarHBondContact O-CG 3.45Å; V1180-E1184 PolarHBondContact O-N 3.47Å; L1181-E1184 WeakPolarHBondContact O-CB 3.39Å; L1181-E1184 PolarHBondContact O-N 2.89Å; L1181-E1184 VanDerWaalsContact O-N 3.15Å; E1184-S1187 PolarHBondContact O-N 2.93Å; E1184-L1188 WeakPolarHBondContact O-CB 3.34Å; E1184-L1188 PolarHBondContact O-N 2.83Å |
| 1185 | E | 79.3 | Confident | 74 | Confident | 1 Ų | 1 | 29.2 Ų | 29.2 | 1% | 0.005 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -67.2 | -45.9 | 175.6 | -71.9 | -172.6 | 175.2 | 0 | 0 | 113.6 | F1132 L1164 L1169 L1181 H1183 S1187 L1188 A1189 L1214 | F1132-E1185 HydrophobicContact CD1-CG 4.44Å; F1132-E1185 HydrophobicContact CE1-CG 3.66Å; F1132-E1185 WeakPolarHBondContact CE1-OE1 3.26Å; F1132-E1185 HydrophobicContact CZ-CG 4.47Å; F1132-E1185 WeakPolarHBondContact CZ-OE1 3.24Å; L1164-E1185 HydrophobicContact CD2-CB 3.79Å; L1164-E1185 HydrophobicContact CD2-CG 3.58Å; L1169-E1185 VanDerWaalsContact CD1-OE2 3.25Å; L1169-E1185 WeakPolarHBondContact CD1-OE2 3.31Å; L1169-E1185 WeakPolarHBondContact CD2-OE1 3.41Å; L1169-E1185 WeakPolarHBondContact CD2-OE2 3.21Å; L1181-E1185 WeakPolarHBondContact O-CG 3.25Å; L1181-E1185 PolarHBondContact O-N 3.34Å; H1183-E1185 VanDerWaalsContact C-N 3.31Å; H1183-E1185 PolarHBondContact O-N 2.9Å; E1185-S1187 PolarHBondContact O-N 3.18Å; E1185-L1188 PolarHBondContact O-N 2.86Å; E1185-A1189 WeakPolarHBondContact O-CB 3.28Å; E1185-A1189 PolarHBondContact O-N 3.36Å; E1185-L1214 HydrophobicContact CB-CD2 3.97Å; E1185-L1214 WeakPolarHBondContact OE2-CD2 3.22Å |
| 1186 | L | 81.4 | Confident | 73.6 | Confident | 6 Ų | 6 | 31 Ų | 31 | 3% | 0.031 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -59.8 | -39.7 | 175.3 | -77.5 | 172.2 | 0 | 0 | 0 | 111.3 | F1182 H1183 S1190 L1214 I1238 Q1241 M1242 L1245 | F1182-L1186 HydrophobicContact CD1-CD1 3.69Å; F1182-L1186 HydrophobicContact CD1-CG 4.19Å; F1182-L1186 HydrophobicContact CE1-CD1 3.62Å; F1182-L1186 HydrophobicContact CE1-CD2 4.44Å; F1182-L1186 HydrophobicContact CE1-CG 4.02Å; F1182-L1186 WeakPolarHBondContact O-CB 3.48Å; F1182-L1186 WeakPolarHBondContact O-CG 3.42Å; F1182-L1186 PolarHBondContact O-N 3.02Å; H1183-L1186 PolarHBondContact O-N 3.09Å; L1186-S1190 WeakPolarHBondContact O-CB 3.5Å; L1186-S1190 PolarHBondContact O-N 3.39Å; L1186-L1214 HydrophobicContact CD2-CD1 4.25Å; L1186-I1238 HydrophobicContact CD1-CG2 4.29Å; L1186-Q1241 HydrophobicContact CD1-CB 3.78Å; L1186-M1242 HydrophobicContact CD2-CB 4.49Å; L1186-M1242 HydrophobicContact CD2-SD 3.96Å; L1186-L1245 HydrophobicContact CD2-CD2 4.06Å |
| 1187 | S | 80.4 | Confident | 73.2 | Confident | 30 Ų | 30 | 28.5 Ų | 28.5 | 21% | 0.21 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -66 | -43.6 | 176.5 | -63.5 | 0 | 0 | 0 | 0 | 111.6 | H1183 E1184 E1185 S1190 L1191 | H1183-S1187 PolarHBondContact CE1-OG 2.9Å; H1183-S1187 WeakPolarHBondContact O-CB 3.39Å; H1183-S1187 PolarHBondContact O-N 3.44Å; H1183-S1187 PolarHBondContact O-OG 3.41Å; E1184-S1187 PolarHBondContact O-N 2.93Å; E1185-S1187 PolarHBondContact O-N 3.18Å; S1187-S1190 PolarHBondContact O-N 3.24Å; S1187-L1191 PolarHBondContact O-N 3.36Å |
| 1188 | L | 81.9 | Confident | 72.5 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -63.7 | -47 | 176.4 | -175.9 | 62.8 | 0 | 0 | 0 | 111.3 | C1136 F1139 K1140 L1143 C1160 L1164 E1184 E1185 S1190 L1191 I1192 | C1136-L1188 HydrophobicContact CB-CD2 4.38Å; F1139-L1188 HydrophobicContact CB-CD1 3.94Å; K1140-L1188 HydrophobicContact CG-CB 4.1Å; K1140-L1188 HydrophobicContact CG-CD1 3.73Å; L1143-L1188 HydrophobicContact CD1-CD1 3.54Å; C1160-L1188 HydrophobicContact CB-CD2 4.27Å; C1160-L1188 HydrophobicContact CB-CG 4.49Å; L1164-L1188 HydrophobicContact CD1-CD2 4.23Å; L1164-L1188 HydrophobicContact CD1-CG 4.42Å; L1164-L1188 HydrophobicContact CD2-CD2 4.23Å; L1164-L1188 HydrophobicContact CG-CD2 4.21Å; E1184-L1188 WeakPolarHBondContact O-CB 3.34Å; E1184-L1188 PolarHBondContact O-N 2.83Å; E1185-L1188 PolarHBondContact O-N 2.86Å; L1188-S1190 VanDerWaalsContact C-N 3.31Å; L1188-S1190 PolarHBondContact O-N 3.01Å; L1188-L1191 WeakPolarHBondContact O-CB 3.36Å; L1188-L1191 PolarHBondContact O-N 3.15Å; L1188-L1191 VanDerWaalsContact O-N 3.07Å; L1188-I1192 WeakPolarHBondContact O-CG1 3.14Å; L1188-I1192 PolarHBondContact O-N 3.27Å |
| 1189 | A | 82.2 | Confident | 71.7 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -59.7 | -40.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | E1185 L1191 I1192 M1193 F1207 L1214 L1245 | E1185-A1189 WeakPolarHBondContact O-CB 3.28Å; E1185-A1189 PolarHBondContact O-N 3.36Å; A1189-L1191 VanDerWaalsContact C-N 3.34Å; A1189-L1191 PolarHBondContact O-N 2.93Å; A1189-I1192 PolarHBondContact O-N 2.86Å; A1189-M1193 PolarHBondContact O-N 3.39Å; A1189-F1207 HydrophobicContact CB-CE2 4.45Å; A1189-L1214 HydrophobicContact CB-CD1 4.12Å; A1189-L1245 HydrophobicContact CB-CD2 3.96Å |
| 1190 | S | 80.4 | Confident | 71 | Confident | 37 Ų | 37 | 38.4 Ų | 38.4 | 26% | 0.259 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -63.9 | -38.6 | 173.8 | -175.7 | 0 | 0 | 0 | 0 | 112.3 | L1186 S1187 L1188 M1193 N1194 K1248 | L1186-S1190 WeakPolarHBondContact O-CB 3.5Å; L1186-S1190 PolarHBondContact O-N 3.39Å; S1187-S1190 PolarHBondContact O-N 3.24Å; L1188-S1190 VanDerWaalsContact C-N 3.31Å; L1188-S1190 PolarHBondContact O-N 3.01Å; S1190-M1193 WeakPolarHBondContact O-CB 3.46Å; S1190-M1193 PolarHBondContact O-N 3.01Å; S1190-N1194 PolarHBondContact O-N 3.49Å; S1190-K1248 PolarHBondContact O-NZ 3.35Å; S1190-K1248 PolarHBondContact OG-NZ 3.3Å |
| 1191 | L | 77.7 | Confident | 70.5 | Confident | 42 Ų | 42 | 37.8 Ų | 37.8 | 22% | 0.22 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -68.3 | -39 | 176.1 | -81.3 | 163.8 | 0 | 0 | 0 | 112.1 | K1140 L1143 S1187 L1188 A1189 M1193 N1194 V1195 | K1140-L1191 HydrophobicContact CB-CD1 3.7Å; K1140-L1191 HydrophobicContact CD-CD1 3.88Å; K1140-L1191 HydrophobicContact CG-CD1 3.57Å; L1143-L1191 HydrophobicContact CB-CB 4.46Å; L1143-L1191 HydrophobicContact CD1-CB 4.18Å; S1187-L1191 PolarHBondContact O-N 3.36Å; L1188-L1191 WeakPolarHBondContact O-CB 3.36Å; L1188-L1191 PolarHBondContact O-N 3.15Å; L1188-L1191 VanDerWaalsContact O-N 3.07Å; A1189-L1191 VanDerWaalsContact C-N 3.34Å; A1189-L1191 PolarHBondContact O-N 2.93Å; L1191-M1193 PolarHBondContact O-N 3.39Å; L1191-N1194 WeakPolarHBondContact O-CB 3.32Å; L1191-N1194 PolarHBondContact O-N 3.39Å; L1191-V1195 WeakPolarHBondContact O-CG2 3.18Å |
| 1192 | I | 77.4 | Confident | 70.1 | Confident | 1 Ų | 1 | 42.3 Ų | 42.3 | 1% | 0.005 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -54.5 | -43 | 172.7 | -65.4 | 167.7 | 0 | 0 | 0 | 110.3 | L1143 V1157 C1160 L1164 L1188 A1189 N1194 V1195 F1207 | L1143-I1192 HydrophobicContact CD1-CG1 4.12Å; V1157-I1192 HydrophobicContact CG1-CG2 3.94Å; C1160-I1192 HydrophobicContact CB-CD1 3.66Å; C1160-I1192 HydrophobicContact CB-CG1 4.15Å; L1164-I1192 HydrophobicContact CD1-CD1 3.97Å; L1188-I1192 WeakPolarHBondContact O-CG1 3.14Å; L1188-I1192 PolarHBondContact O-N 3.27Å; A1189-I1192 PolarHBondContact O-N 2.86Å; I1192-N1194 PolarHBondContact O-N 3.32Å; I1192-V1195 PolarHBondContact O-N 2.82Å; I1192-F1207 HydrophobicContact CG2-CD2 4.15Å |
| 1193 | M | 72.4 | Confident | 69.7 | Low | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -61.5 | -28.4 | 177.1 | -72.1 | -60.4 | -59 | 0 | 0 | 113.9 | A1189 S1190 L1191 V1195 H1196 F1207 L1245 K1248 V1249 Y1252 F1256 | A1189-M1193 PolarHBondContact O-N 3.39Å; S1190-M1193 WeakPolarHBondContact O-CB 3.46Å; S1190-M1193 PolarHBondContact O-N 3.01Å; L1191-M1193 PolarHBondContact O-N 3.39Å; M1193-V1195 PolarHBondContact O-N 3.19Å; M1193-H1196 PolarHBondContact O-CD2 2.88Å; M1193-F1207 HydrophobicContact CG-CD2 4.49Å; M1193-F1207 HydrophobicContact CG-CE1 4.15Å; M1193-F1207 HydrophobicContact CG-CE2 3.56Å; M1193-F1207 HydrophobicContact CG-CZ 3.35Å; M1193-F1207 HydrophobicContact SD-CD1 4.03Å; M1193-F1207 HydrophobicContact SD-CD2 4.07Å; M1193-F1207 HydrophobicContact SD-CE1 3.45Å; M1193-F1207 WeakPolarHBondContact SD-CE1 3.47Å; M1193-F1207 HydrophobicContact SD-CE2 3.6Å; M1193-F1207 VanDerWaalsContact SD-CE2 3.6Å; M1193-F1207 HydrophobicContact SD-CG 4.32Å; M1193-F1207 HydrophobicContact SD-CZ 3.26Å; M1193-F1207 WeakPolarHBondContact SD-CZ 3.23Å; M1193-L1245 HydrophobicContact CG-CD1 4.28Å; M1193-K1248 HydrophobicContact CB-CD 4.16Å; M1193-V1249 HydrophobicContact CE-CG2 4.07Å; M1193-V1249 HydrophobicContact CG-CG2 4.32Å; M1193-V1249 HydrophobicContact SD-CG2 4.11Å; M1193-Y1252 HydrophobicContact CE-CD2 3.32Å; M1193-Y1252 HydrophobicContact CE-CE2 3.44Å; M1193-Y1252 VanDerWaalsContact CE-CE2 3.44Å; M1193-Y1252 HydrophobicContact CE-CG 4.06Å; M1193-Y1252 PolarHBondContact O-OH 3.04Å; M1193-F1256 HydrophobicContact CE-CE2 4.04Å; M1193-F1256 HydrophobicContact CE-CZ 4.15Å; M1193-F1256 HydrophobicContact SD-CZ 4.14Å |
| 1194 | N | 69.4 | Low | 69.5 | Low | 97 Ų | 97 | 40.1 Ų | 40.1 | 52% | 0.519 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -72.4 | -17.6 | 176.8 | -76.7 | -26.4 | 0 | 0 | 0 | 113.2 | S1190 L1191 I1192 K1248 | S1190-N1194 PolarHBondContact O-N 3.49Å; L1191-N1194 WeakPolarHBondContact O-CB 3.32Å; L1191-N1194 PolarHBondContact O-N 3.39Å; I1192-N1194 PolarHBondContact O-N 3.32Å; N1194-K1248 PolarHBondContact ND2-NZ 3.02Å; N1194-K1248 WeakPolarHBondContact OD1-CE 3.49Å; N1194-K1248 PolarHBondContact OD1-NZ 2.89Å |
| 1195 | V | 66.4 | Low | 69.2 | Low | 13 Ų | 13 | 43.4 Ų | 43.4 | 8% | 0.079 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97 | 3.4 | -169.2 | -179.3 | 0 | 0 | 0 | 0 | 112 | L1143 M1149 V1153 V1157 L1191 I1192 M1193 S1197 | L1143-V1195 HydrophobicContact CD2-CG2 3.96Å; M1149-V1195 HydrophobicContact CE-CG2 3.86Å; M1149-V1195 HydrophobicContact SD-CG1 4.47Å; V1153-V1195 HydrophobicContact CB-CG1 4.48Å; V1153-V1195 HydrophobicContact CG1-CG1 3.15Å; V1157-V1195 HydrophobicContact CG2-CG1 4.15Å; L1191-V1195 WeakPolarHBondContact O-CG2 3.18Å; I1192-V1195 PolarHBondContact O-N 2.82Å; M1193-V1195 PolarHBondContact O-N 3.19Å; V1195-S1197 PolarHBondContact O-N 3.37Å |
| 1196 | H | 56 | Low | 69 | Low | 45 Ų | 45 | 46.2 Ų | 46.2 | 21% | 0.208 | 26% | 0.264 | C | S | . | . | trans | -62.3 | 99 | 179.5 | -84.4 | -71.4 | 0 | 0 | 0 | 113.4 | M1193 V1200 Y1252 | M1193-H1196 PolarHBondContact O-CD2 2.88Å; H1196-V1200 WeakPolarHBondContact CE1-CG1 2.9Å; H1196-V1200 VanDerWaalsContact ND1-CB 3.34Å; H1196-V1200 WeakPolarHBondContact ND1-CB 3.22Å; H1196-V1200 WeakPolarHBondContact ND1-CG1 3.25Å; H1196-Y1252 HydrophobicContact CB-CE1 4.48Å | ||
| 1197 | S | 52.8 | Low | 68.8 | Low | 57 Ų | 57 | 46 Ų | 46 | 40% | 0.399 | 26% | 0.262 | S | S | . | . | trans | -82 | 163.9 | 151.1 | 71.4 | 0 | 0 | 0 | 0 | 109.8 | V1195 E1199 V1200 | V1195-S1197 PolarHBondContact O-N 3.37Å; S1197-E1199 PolarHBondContact O-N 3.23Å; S1197-V1200 WeakPolarHBondContact O-CB 3.47Å; S1197-V1200 PolarHBondContact O-N 2.91Å | ||
| 1198 | L | 51.5 | Low | 68.8 | Low | 157 Ų | 157 | 44.9 Ų | 44.9 | 82% | 0.822 | 25% | 0.254 | S | S | * | . | G | 310 helix | trans | -51.6 | -23.7 | 176.9 | -82 | 156.8 | 0 | 0 | 0 | 113.9 | V1200 I1201 | L1198-V1200 VanDerWaalsContact C-N 3.35Å; L1198-I1201 HydrophobicContact CD2-CD1 4.4Å |
| 1199 | E | 52.1 | Low | 68.7 | Low | 142 Ų | 142 | 48.8 Ų | 48.8 | 66% | 0.664 | 27% | 0.273 | S | S | * | . | G | 310 helix | trans | -77.6 | -19 | -179.1 | -65.6 | 172.8 | 162.5 | 0 | 0 | 112.9 | S1197 I1201 S1202 | S1197-E1199 PolarHBondContact O-N 3.23Å; E1199-I1201 VanDerWaalsContact C-N 3.34Å; E1199-I1201 PolarHBondContact O-N 3.17Å; E1199-S1202 PolarHBondContact O-OG 3.13Å |
| 1200 | V | 56 | Low | 68.6 | Low | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.006 | 27% | 0.274 | C | S | . | . | G | 310 helix | trans | -81.7 | -9.9 | -176.2 | -169.8 | 0 | 0 | 0 | 0 | 112.7 | H1196 S1197 L1198 S1202 R1203 | H1196-V1200 WeakPolarHBondContact CE1-CG1 2.9Å; H1196-V1200 VanDerWaalsContact ND1-CB 3.34Å; H1196-V1200 WeakPolarHBondContact ND1-CB 3.22Å; H1196-V1200 WeakPolarHBondContact ND1-CG1 3.25Å; S1197-V1200 WeakPolarHBondContact O-CB 3.47Å; S1197-V1200 PolarHBondContact O-N 2.91Å; L1198-V1200 VanDerWaalsContact C-N 3.35Å; V1200-S1202 PolarHBondContact O-N 3.35Å; V1200-S1202 VanDerWaalsContact O-N 3.11Å; V1200-R1203 HydrophobicContact CG1-CB 4.36Å; V1200-R1203 WeakPolarHBondContact O-CB 3.32Å; V1200-R1203 PolarHBondContact O-N 2.89Å |
| 1201 | I | 59.5 | Low | 68.8 | Low | 66 Ų | 66 | 47.3 Ų | 47.3 | 34% | 0.338 | 26% | 0.262 | S | S | . | . | G | 310 helix | trans | -55 | -33.3 | 178.1 | -65 | 175.2 | 0 | 0 | 0 | 111.7 | L1198 E1199 R1203 I1204 | L1198-I1201 HydrophobicContact CD2-CD1 4.4Å; E1199-I1201 VanDerWaalsContact C-N 3.34Å; E1199-I1201 PolarHBondContact O-N 3.17Å; I1201-R1203 PolarHBondContact O-N 2.94Å; I1201-R1203 VanDerWaalsContact O-N 3.11Å; I1201-I1204 HydrophobicContact CB-CD1 4.27Å; I1201-I1204 HydrophobicContact CG2-CD1 3.78Å; I1201-I1204 WeakPolarHBondContact O-CB 3.2Å; I1201-I1204 WeakPolarHBondContact O-CD1 3.49Å; I1201-I1204 WeakPolarHBondContact O-CG1 3.49Å; I1201-I1204 PolarHBondContact O-N 3.47Å |
| 1202 | S | 62.3 | Low | 69.2 | Low | 95 Ų | 95 | 49 Ų | 49 | 66% | 0.664 | 27% | 0.266 | S | S | * | . | G | 310 helix | trans | -60.8 | -19.6 | 176.5 | 60.4 | 0 | 0 | 0 | 0 | 114.2 | E1199 V1200 | E1199-S1202 PolarHBondContact O-OG 3.13Å; V1200-S1202 PolarHBondContact O-N 3.35Å; V1200-S1202 VanDerWaalsContact O-N 3.11Å |
| 1203 | R | 68.7 | Low | 69.4 | Low | 29 Ų | 29 | 50.9 Ų | 50.9 | 11% | 0.109 | 28% | 0.275 | C | S | . | . | G | 310 helix | trans | -97.2 | -2.1 | -177.1 | -59.7 | -178.2 | 173.9 | 97.9 | 3.1 | 114.4 | D1154 D1158 V1200 I1201 S1206 F1207 | D1154-R1203 IonicContact OD1-CZ 3.33Å; D1154-R1203 IonicContact OD1-NH1 2.74Å; D1154-R1203 PolarHBondContact OD1-NH1 3.35Å; D1154-R1203 IonicContact OD1-NH2 3.49Å; D1154-R1203 PolarHBondContact OD1-NH2 3.31Å; D1158-R1203 VanDerWaalsContact CG-NE 3.29Å; D1158-R1203 VanDerWaalsContact OD1-CD 3.3Å; D1158-R1203 WeakPolarHBondContact OD1-CD 3.32Å; D1158-R1203 IonicContact OD1-CZ 2.8Å; D1158-R1203 IonicContact OD1-NE 2.99Å; D1158-R1203 PolarHBondContact OD1-NE 3.06Å; D1158-R1203 IonicContact OD1-NH2 3.99Å; D1158-R1203 IonicContact OD2-CZ 3.04Å; D1158-R1203 IonicContact OD2-NE 3.83Å; D1158-R1203 PolarHBondContact OD2-NE 2.94Å; D1158-R1203 IonicContact OD2-NH2 2.68Å; D1158-R1203 PolarHBondContact OD2-NH2 3.33Å; V1200-R1203 HydrophobicContact CG1-CB 4.36Å; V1200-R1203 WeakPolarHBondContact O-CB 3.32Å; V1200-R1203 PolarHBondContact O-N 2.89Å; I1201-R1203 PolarHBondContact O-N 2.94Å; I1201-R1203 VanDerWaalsContact O-N 3.11Å; R1203-S1206 PolarHBondContact O-N 2.94Å; R1203-F1207 PolarHBondContact O-N 3.37Å |
| 1204 | I | 71.7 | Confident | 70 | Confident | 8 Ų | 8 | 51 Ų | 51 | 4% | 0.041 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -48.5 | -42.2 | 177 | -69.9 | 173.5 | 0 | 0 | 0 | 112.5 | I1201 S1206 F1207 V1208 D1255 F1256 V1259 | I1201-I1204 HydrophobicContact CB-CD1 4.27Å; I1201-I1204 HydrophobicContact CG2-CD1 3.78Å; I1201-I1204 WeakPolarHBondContact O-CB 3.2Å; I1201-I1204 WeakPolarHBondContact O-CD1 3.49Å; I1201-I1204 WeakPolarHBondContact O-CG1 3.49Å; I1201-I1204 PolarHBondContact O-N 3.47Å; I1204-S1206 PolarHBondContact O-N 3.46Å; I1204-F1207 PolarHBondContact O-N 2.87Å; I1204-V1208 HydrophobicContact CG2-CG2 4.34Å; I1204-V1208 WeakPolarHBondContact O-CB 3.22Å; I1204-V1208 VanDerWaalsContact O-CG2 3.29Å; I1204-V1208 WeakPolarHBondContact O-CG2 3.26Å; I1204-V1208 PolarHBondContact O-N 3.22Å; I1204-D1255 HydrophobicContact CD1-CB 3.76Å; I1204-D1255 WeakPolarHBondContact CD1-O 3.27Å; I1204-F1256 HydrophobicContact CB-CE1 4.25Å; I1204-F1256 HydrophobicContact CB-CZ 4.44Å; I1204-F1256 HydrophobicContact CD1-CD2 4.41Å; I1204-F1256 HydrophobicContact CD1-CE2 4.15Å; I1204-F1256 HydrophobicContact CD1-CZ 4.27Å; I1204-F1256 HydrophobicContact CG1-CE1 4Å; I1204-F1256 HydrophobicContact CG1-CE2 4.08Å; I1204-F1256 HydrophobicContact CG1-CZ 3.71Å; I1204-F1256 HydrophobicContact CG2-CD1 3.82Å; I1204-F1256 HydrophobicContact CG2-CE1 3.65Å; I1204-F1256 HydrophobicContact CG2-CZ 4.26Å; I1204-V1259 HydrophobicContact CG2-CB 4.14Å; I1204-V1259 HydrophobicContact CG2-CG1 4.41Å; I1204-V1259 HydrophobicContact CG2-CG2 3.68Å |
| 1205 | P | 73.4 | Confident | 70.8 | Confident | 85 Ų | 85 | 46.3 Ų | 46.3 | 55% | 0.552 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -58.8 | -43.1 | 176.7 | -25.3 | 35.8 | 0 | 0 | 0 | 113.4 | V1208 E1209 | P1205-V1208 PolarHBondContact O-N 2.97Å; P1205-E1209 PolarHBondContact O-N 3.44Å |
| 1206 | S | 74.5 | Confident | 71.6 | Confident | 59 Ų | 59 | 47 Ų | 47 | 41% | 0.413 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -67.3 | -42.5 | 178.8 | -58.5 | 0 | 0 | 0 | 0 | 111.9 | R1203 I1204 V1208 E1209 T1210 | R1203-S1206 PolarHBondContact O-N 2.94Å; I1204-S1206 PolarHBondContact O-N 3.46Å; S1206-V1208 VanDerWaalsContact C-N 3.27Å; S1206-V1208 PolarHBondContact O-N 3.46Å; S1206-E1209 PolarHBondContact O-N 3.16Å; S1206-T1210 PolarHBondContact O-N 3.45Å; S1206-T1210 PolarHBondContact O-OG1 2.9Å; S1206-T1210 VanDerWaalsContact O-OG1 3.13Å |
| 1207 | F | 79.1 | Confident | 72.8 | Confident | 1 Ų | 1 | 44.9 Ų | 44.9 | 0% | 0.004 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -62.4 | -36.7 | 174.7 | -179.6 | -92.5 | 0 | 0 | 0 | 112.1 | H1161 A1189 I1192 M1193 R1203 I1204 T1210 L1211 L1245 V1249 F1256 | H1161-F1207 WeakPolarHBondContact CE1-CA 3.48Å; H1161-F1207 VanDerWaalsContact CE1-CB 3.42Å; H1161-F1207 WeakPolarHBondContact CE1-CB 3.19Å; H1161-F1207 AromaticContact CE1-CD2 3.67Å; A1189-F1207 HydrophobicContact CB-CE2 4.45Å; I1192-F1207 HydrophobicContact CG2-CD2 4.15Å; M1193-F1207 HydrophobicContact CG-CD2 4.49Å; M1193-F1207 HydrophobicContact CG-CE1 4.15Å; M1193-F1207 HydrophobicContact CG-CE2 3.56Å; M1193-F1207 HydrophobicContact CG-CZ 3.35Å; M1193-F1207 HydrophobicContact SD-CD1 4.03Å; M1193-F1207 HydrophobicContact SD-CD2 4.07Å; M1193-F1207 HydrophobicContact SD-CE1 3.45Å; M1193-F1207 WeakPolarHBondContact SD-CE1 3.47Å; M1193-F1207 HydrophobicContact SD-CE2 3.6Å; M1193-F1207 VanDerWaalsContact SD-CE2 3.6Å; M1193-F1207 HydrophobicContact SD-CG 4.32Å; M1193-F1207 HydrophobicContact SD-CZ 3.26Å; M1193-F1207 WeakPolarHBondContact SD-CZ 3.23Å; R1203-F1207 PolarHBondContact O-N 3.37Å; I1204-F1207 PolarHBondContact O-N 2.87Å; F1207-T1210 WeakPolarHBondContact O-CB 3.49Å; F1207-T1210 PolarHBondContact O-N 3.33Å; F1207-L1211 HydrophobicContact CD1-CD1 3.92Å; F1207-L1211 HydrophobicContact CD1-CG 4.1Å; F1207-L1211 HydrophobicContact CE1-CD1 3.38Å; F1207-L1211 HydrophobicContact CE1-CD2 4.11Å; F1207-L1211 HydrophobicContact CE1-CG 3.62Å; F1207-L1211 HydrophobicContact CZ-CD1 4.14Å; F1207-L1211 HydrophobicContact CZ-CD2 4.02Å; F1207-L1211 HydrophobicContact CZ-CG 3.98Å; F1207-L1211 PolarHBondContact O-N 3.43Å; F1207-L1245 HydrophobicContact CZ-CD1 4.25Å; F1207-V1249 HydrophobicContact CE1-CG2 3.61Å; F1207-V1249 HydrophobicContact CZ-CG2 3.86Å; F1207-F1256 AromaticContact CD1-CE1 3.72Å; F1207-F1256 HydrophobicContact CD1-CE1 3.72Å; F1207-F1256 HydrophobicContact CD1-CZ 4.12Å; F1207-F1256 HydrophobicContact CE1-CE1 4.22Å |
| 1208 | V | 78.6 | Confident | 74.3 | Confident | 7 Ų | 7 | 42.2 Ų | 42.2 | 4% | 0.042 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -68.1 | -41.6 | 175.6 | 163.5 | 0 | 0 | 0 | 0 | 111.6 | I1204 P1205 S1206 T1210 L1211 R1212 F1256 V1259 V1263 | I1204-V1208 HydrophobicContact CG2-CG2 4.34Å; I1204-V1208 WeakPolarHBondContact O-CB 3.22Å; I1204-V1208 VanDerWaalsContact O-CG2 3.29Å; I1204-V1208 WeakPolarHBondContact O-CG2 3.26Å; I1204-V1208 PolarHBondContact O-N 3.22Å; P1205-V1208 PolarHBondContact O-N 2.97Å; S1206-V1208 VanDerWaalsContact C-N 3.27Å; S1206-V1208 PolarHBondContact O-N 3.46Å; V1208-T1210 VanDerWaalsContact C-N 3.25Å; V1208-T1210 PolarHBondContact O-N 2.94Å; V1208-L1211 WeakPolarHBondContact O-CB 3.44Å; V1208-L1211 PolarHBondContact O-N 2.86Å; V1208-L1211 VanDerWaalsContact O-N 3.09Å; V1208-R1212 HydrophobicContact CG1-CG 4.21Å; V1208-R1212 WeakPolarHBondContact O-CG 3.35Å; V1208-R1212 PolarHBondContact O-N 3.27Å; V1208-F1256 HydrophobicContact CG2-CD1 4.39Å; V1208-F1256 HydrophobicContact CG2-CE1 4.36Å; V1208-V1259 HydrophobicContact CB-CG1 3.5Å; V1208-V1259 VanDerWaalsContact CB-CG1 3.5Å; V1208-V1259 HydrophobicContact CG1-CG1 3.44Å; V1208-V1259 VanDerWaalsContact CG1-CG1 3.44Å; V1208-V1259 HydrophobicContact CG2-CB 3.79Å; V1208-V1259 HydrophobicContact CG2-CG1 3.09Å; V1208-V1263 HydrophobicContact CG1-CG2 4.06Å |
| 1209 | E | 80.4 | Confident | 75.8 | Confident | 83 Ų | 83 | 34.8 Ų | 34.8 | 39% | 0.388 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -60.8 | -40 | 174.9 | -164.8 | 60.6 | -162.6 | 0 | 0 | 111.1 | P1205 S1206 L1211 R1212 L1213 | P1205-E1209 PolarHBondContact O-N 3.44Å; S1206-E1209 PolarHBondContact O-N 3.16Å; E1209-L1211 PolarHBondContact O-N 3.49Å; E1209-R1212 PolarHBondContact O-N 3.14Å; E1209-R1212 IonicContact OE1-NH1 3.37Å; E1209-R1212 IonicContact OE2-CZ 3.7Å; E1209-R1212 IonicContact OE2-NE 2.89Å; E1209-R1212 IonicContact OE2-NH1 3.46Å; E1209-R1212 PolarHBondContact OE2-NH1 3.13Å; E1209-L1213 WeakPolarHBondContact O-CG 3.46Å; E1209-L1213 PolarHBondContact O-N 3.34Å |
| 1210 | T | 81.1 | Confident | 77 | Confident | 3 Ų | 3 | 32.2 Ų | 32.2 | 2% | 0.018 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -56.1 | -48.5 | 170 | -58 | 0 | 0 | 0 | 0 | 112.1 | H1161 L1164 S1206 F1207 V1208 R1212 L1213 L1214 | H1161-T1210 PolarHBondContact ND1-OG1 3.12Å; L1164-T1210 HydrophobicContact CB-CG2 3.82Å; L1164-T1210 HydrophobicContact CD1-CG2 3.58Å; L1164-T1210 HydrophobicContact CG-CG2 4.26Å; S1206-T1210 PolarHBondContact O-N 3.45Å; S1206-T1210 PolarHBondContact O-OG1 2.9Å; S1206-T1210 VanDerWaalsContact O-OG1 3.13Å; F1207-T1210 WeakPolarHBondContact O-CB 3.49Å; F1207-T1210 PolarHBondContact O-N 3.33Å; V1208-T1210 VanDerWaalsContact C-N 3.25Å; V1208-T1210 PolarHBondContact O-N 2.94Å; T1210-R1212 VanDerWaalsContact C-N 3.32Å; T1210-R1212 PolarHBondContact O-N 3.47Å; T1210-L1213 PolarHBondContact O-N 3.43Å; T1210-L1214 HydrophobicContact CG2-CD1 4.09Å; T1210-L1214 WeakPolarHBondContact O-CG 3.48Å; T1210-L1214 PolarHBondContact O-N 3.07Å |
| 1211 | L | 84.5 | Confident | 78 | Confident | 3 Ų | 3 | 34.3 Ų | 34.3 | 2% | 0.016 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -60.7 | -40.5 | 177.2 | -76.4 | 179.3 | 0 | 0 | 0 | 112.7 | F1207 V1208 E1209 L1214 Q1215 M1242 L1245 V1249 V1263 | F1207-L1211 HydrophobicContact CD1-CD1 3.92Å; F1207-L1211 HydrophobicContact CD1-CG 4.1Å; F1207-L1211 HydrophobicContact CE1-CD1 3.38Å; F1207-L1211 HydrophobicContact CE1-CD2 4.11Å; F1207-L1211 HydrophobicContact CE1-CG 3.62Å; F1207-L1211 HydrophobicContact CZ-CD1 4.14Å; F1207-L1211 HydrophobicContact CZ-CD2 4.02Å; F1207-L1211 HydrophobicContact CZ-CG 3.98Å; F1207-L1211 PolarHBondContact O-N 3.43Å; V1208-L1211 WeakPolarHBondContact O-CB 3.44Å; V1208-L1211 PolarHBondContact O-N 2.86Å; V1208-L1211 VanDerWaalsContact O-N 3.09Å; E1209-L1211 PolarHBondContact O-N 3.49Å; L1211-L1214 PolarHBondContact O-N 3.41Å; L1211-Q1215 VanDerWaalsContact O-CB 3.23Å; L1211-Q1215 WeakPolarHBondContact O-CB 3.28Å; L1211-Q1215 PolarHBondContact O-N 3.39Å; L1211-M1242 HydrophobicContact CD2-CE 4.48Å; L1211-L1245 HydrophobicContact CD2-CD2 3.49Å; L1211-L1245 VanDerWaalsContact CD2-CD2 3.49Å; L1211-L1245 HydrophobicContact CD2-CG 3.92Å; L1211-V1249 HydrophobicContact CD1-CG2 4.26Å; L1211-V1263 HydrophobicContact CD1-CG2 4.37Å |
| 1212 | R | 85.5 | Confident | 78.7 | Confident | 77 Ų | 77 | 31.1 Ų | 31.1 | 29% | 0.291 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -65.3 | -40.7 | 179.6 | -67.6 | 170.9 | 76.2 | -154.6 | 3.3 | 111.3 | V1208 E1209 T1210 Q1215 N1216 D1266 | V1208-R1212 HydrophobicContact CG1-CG 4.21Å; V1208-R1212 WeakPolarHBondContact O-CG 3.35Å; V1208-R1212 PolarHBondContact O-N 3.27Å; E1209-R1212 PolarHBondContact O-N 3.14Å; E1209-R1212 IonicContact OE1-NH1 3.37Å; E1209-R1212 IonicContact OE2-CZ 3.7Å; E1209-R1212 IonicContact OE2-NE 2.89Å; E1209-R1212 IonicContact OE2-NH1 3.46Å; E1209-R1212 PolarHBondContact OE2-NH1 3.13Å; T1210-R1212 VanDerWaalsContact C-N 3.32Å; T1210-R1212 PolarHBondContact O-N 3.47Å; R1212-Q1215 PolarHBondContact O-N 2.89Å; R1212-N1216 WeakPolarHBondContact O-CB 3.07Å; R1212-N1216 PolarHBondContact O-N 2.95Å; R1212-D1266 IonicContact CZ-OD2 2.7Å; R1212-D1266 VanDerWaalsContact CZ-OD2 3.22Å; R1212-D1266 IonicContact NE-OD2 2.69Å; R1212-D1266 PolarHBondContact NE-OD2 3.26Å; R1212-D1266 IonicContact NH2-OD1 3.68Å; R1212-D1266 IonicContact NH2-OD2 2.84Å; R1212-D1266 PolarHBondContact NH2-OD2 2.7Å |
| 1213 | L | 82.2 | Confident | 79 | Confident | 40 Ų | 40 | 28.7 Ų | 28.7 | 21% | 0.209 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -62.8 | -48.7 | 174.6 | -70.5 | 171.5 | 0 | 0 | 0 | 111.5 | A1165 L1169 E1209 T1210 Q1215 N1216 A1217 | A1165-L1213 HydrophobicContact CB-CD1 4.45Å; L1169-L1213 HydrophobicContact CD1-CB 4.49Å; E1209-L1213 WeakPolarHBondContact O-CG 3.46Å; E1209-L1213 PolarHBondContact O-N 3.34Å; T1210-L1213 PolarHBondContact O-N 3.43Å; L1213-Q1215 VanDerWaalsContact C-N 3.32Å; L1213-Q1215 PolarHBondContact O-N 3.36Å; L1213-N1216 PolarHBondContact O-N 3.15Å; L1213-A1217 WeakPolarHBondContact O-CB 3.45Å; L1213-A1217 PolarHBondContact O-N 3.45Å |
| 1214 | L | 84.8 | Confident | 78.3 | Confident | 2 Ų | 2 | 34.2 Ų | 34.2 | 1% | 0.01 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -58.9 | -44.3 | 176.2 | -71.1 | 169.6 | 0 | 0 | 0 | 111.4 | L1169 F1182 E1185 L1186 A1189 T1210 L1211 N1216 A1217 L1218 L1245 | L1169-L1214 HydrophobicContact CD1-CD2 4.22Å; F1182-L1214 HydrophobicContact CD2-CD2 4.33Å; F1182-L1214 HydrophobicContact CE2-CB 4.5Å; F1182-L1214 HydrophobicContact CE2-CD2 3.71Å; F1182-L1214 HydrophobicContact CZ-CB 4.3Å; F1182-L1214 HydrophobicContact CZ-CD2 4.04Å; F1182-L1214 VanDerWaalsContact CZ-O 3.27Å; F1182-L1214 WeakPolarHBondContact CZ-O 3.43Å; E1185-L1214 HydrophobicContact CB-CD2 3.97Å; E1185-L1214 WeakPolarHBondContact OE2-CD2 3.22Å; L1186-L1214 HydrophobicContact CD2-CD1 4.25Å; A1189-L1214 HydrophobicContact CB-CD1 4.12Å; T1210-L1214 HydrophobicContact CG2-CD1 4.09Å; T1210-L1214 WeakPolarHBondContact O-CG 3.48Å; T1210-L1214 PolarHBondContact O-N 3.07Å; L1211-L1214 PolarHBondContact O-N 3.41Å; L1214-N1216 PolarHBondContact O-N 3.34Å; L1214-A1217 PolarHBondContact O-N 3.42Å; L1214-L1218 WeakPolarHBondContact O-CB 3.49Å; L1214-L1218 PolarHBondContact O-N 2.89Å; L1214-L1245 HydrophobicContact CD1-CD2 4.41Å |
| 1215 | Q | 86.1 | Confident | 77.2 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -62.4 | -42.5 | 178.7 | 177.4 | 174.5 | -44.8 | 0 | 0 | 113.1 | L1211 R1212 L1213 L1218 H1219 M1242 V1263 F1270 Y1288 | L1211-Q1215 VanDerWaalsContact O-CB 3.23Å; L1211-Q1215 WeakPolarHBondContact O-CB 3.28Å; L1211-Q1215 PolarHBondContact O-N 3.39Å; R1212-Q1215 PolarHBondContact O-N 2.89Å; L1213-Q1215 VanDerWaalsContact C-N 3.32Å; L1213-Q1215 PolarHBondContact O-N 3.36Å; Q1215-L1218 WeakPolarHBondContact O-CB 3.45Å; Q1215-L1218 PolarHBondContact O-N 2.97Å; Q1215-H1219 PolarHBondContact O-N 3.05Å; Q1215-H1219 VanDerWaalsContact O-N 3.14Å; Q1215-H1219 PolarHBondContact O-ND1 2.94Å; Q1215-M1242 HydrophobicContact CB-CE 3.92Å; Q1215-V1263 PolarHBondContact NE2-O 3.35Å; Q1215-V1263 VanDerWaalsContact OE1-CG1 3.24Å; Q1215-V1263 PolarHBondContact OE1-O 2.84Å; Q1215-F1270 HydrophobicContact CG-CD2 4.15Å; Q1215-F1270 HydrophobicContact CG-CE2 4.42Å; Q1215-Y1288 VanDerWaalsContact CG-OH 3.23Å; Q1215-Y1288 WeakPolarHBondContact CG-OH 3.39Å; Q1215-Y1288 PolarHBondContact OE1-OH 3.26Å |
| 1216 | N | 83.5 | Confident | 76.1 | Confident | 28 Ų | 28 | 43.5 Ų | 43.5 | 15% | 0.15 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -64.2 | -45.5 | 177.3 | -171.1 | -2.2 | 0 | 0 | 0 | 111 | N1170 R1212 L1213 L1214 L1218 H1219 R1220 F1270 | N1170-N1216 PolarHBondContact ND2-ND2 2.8Å; R1212-N1216 WeakPolarHBondContact O-CB 3.07Å; R1212-N1216 PolarHBondContact O-N 2.95Å; L1213-N1216 PolarHBondContact O-N 3.15Å; L1214-N1216 PolarHBondContact O-N 3.34Å; N1216-L1218 VanDerWaalsContact C-N 3.34Å; N1216-L1218 PolarHBondContact O-N 3.02Å; N1216-H1219 PolarHBondContact O-N 3.2Å; N1216-R1220 PolarHBondContact O-N 2.68Å; N1216-R1220 VanDerWaalsContact O-N 3.12Å; N1216-F1270 HydrophobicContact CB-CE1 4.32Å; N1216-F1270 HydrophobicContact CB-CE2 3.83Å; N1216-F1270 HydrophobicContact CB-CZ 3.72Å |
| 1217 | A | 80.4 | Confident | 74.9 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -60.8 | -41.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | L1169 F1178 F1182 L1213 L1214 H1219 R1220 Y1221 | L1169-A1217 HydrophobicContact CB-CB 3.68Å; L1169-A1217 HydrophobicContact CD1-CB 4.21Å; L1169-A1217 HydrophobicContact CG-CB 4.46Å; F1178-A1217 HydrophobicContact CZ-CB 4.35Å; F1182-A1217 HydrophobicContact CD2-CB 4.37Å; F1182-A1217 HydrophobicContact CE2-CB 3.61Å; F1182-A1217 HydrophobicContact CZ-CB 4.36Å; L1213-A1217 WeakPolarHBondContact O-CB 3.45Å; L1213-A1217 PolarHBondContact O-N 3.45Å; L1214-A1217 PolarHBondContact O-N 3.42Å; A1217-H1219 PolarHBondContact O-N 2.98Å; A1217-R1220 PolarHBondContact O-N 3.2Å; A1217-Y1221 WeakPolarHBondContact O-CB 3.4Å; A1217-Y1221 PolarHBondContact O-N 3.45Å |
| 1218 | L | 84.2 | Confident | 73.3 | Confident | 1 Ų | 1 | 50 Ų | 50 | 1% | 0.005 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -56.3 | -47.3 | 172.5 | 175.9 | 72.6 | 0 | 0 | 0 | 111.8 | F1182 L1214 Q1215 N1216 R1220 Y1221 C1222 I1238 A1239 M1242 V1284 | F1182-L1218 HydrophobicContact CE1-CB 4.49Å; F1182-L1218 HydrophobicContact CZ-CB 4.14Å; L1214-L1218 WeakPolarHBondContact O-CB 3.49Å; L1214-L1218 PolarHBondContact O-N 2.89Å; Q1215-L1218 WeakPolarHBondContact O-CB 3.45Å; Q1215-L1218 PolarHBondContact O-N 2.97Å; N1216-L1218 VanDerWaalsContact C-N 3.34Å; N1216-L1218 PolarHBondContact O-N 3.02Å; L1218-R1220 PolarHBondContact O-N 3.45Å; L1218-Y1221 PolarHBondContact O-N 3.36Å; L1218-C1222 VanDerWaalsContact O-CB 3.3Å; L1218-C1222 WeakPolarHBondContact O-CB 3.32Å; L1218-C1222 PolarHBondContact O-N 3.13Å; L1218-I1238 HydrophobicContact CD1-CG2 3.54Å; L1218-A1239 HydrophobicContact CD1-CB 4.38Å; L1218-M1242 HydrophobicContact CD2-CB 4.1Å; L1218-M1242 HydrophobicContact CD2-CG 3.95Å; L1218-V1284 HydrophobicContact CD2-CG2 4.03Å |
| 1219 | H | 83.7 | Confident | 71.8 | Confident | 1 Ų | 1 | 59.3 Ų | 59.3 | 1% | 0.005 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63.8 | -42.4 | -179.1 | -76 | 70.8 | 0 | 0 | 0 | 112.1 | Q1215 N1216 A1217 Y1221 K1223 F1267 F1270 S1271 L1276 | Q1215-H1219 PolarHBondContact O-N 3.05Å; Q1215-H1219 VanDerWaalsContact O-N 3.14Å; Q1215-H1219 PolarHBondContact O-ND1 2.94Å; N1216-H1219 PolarHBondContact O-N 3.2Å; A1217-H1219 PolarHBondContact O-N 2.98Å; H1219-Y1221 VanDerWaalsContact C-N 3.34Å; H1219-Y1221 PolarHBondContact O-N 3.49Å; H1219-K1223 PolarHBondContact O-N 2.82Å; H1219-F1267 AromaticContact CE1-CD2 3.61Å; H1219-F1267 AromaticContact NE2-CD2 3.65Å; H1219-F1267 AromaticContact NE2-CE2 3.81Å; H1219-F1270 HydrophobicContact CB-CB 4.24Å; H1219-S1271 PolarHBondContact NE2-OG 2.87Å; H1219-L1276 HydrophobicContact CB-CD2 4.37Å |
| 1220 | R | 77.1 | Confident | 70.3 | Confident | 87 Ų | 87 | 63.9 Ų | 63.9 | 33% | 0.328 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -65.4 | -38 | 178.6 | -71.2 | -177 | 176.5 | -145.7 | -5.5 | 112.8 | N1170 Y1173 N1216 A1217 L1218 | N1170-R1220 PolarHBondContact O-NH1 3.49Å; Y1173-R1220 HydrophobicContact CD1-CB 4.43Å; Y1173-R1220 HydrophobicContact CG-CB 4.4Å; N1216-R1220 PolarHBondContact O-N 2.68Å; N1216-R1220 VanDerWaalsContact O-N 3.12Å; A1217-R1220 PolarHBondContact O-N 3.2Å; L1218-R1220 PolarHBondContact O-N 3.45Å |
| 1221 | Y | 76.2 | Confident | 69 | Low | 45 Ų | 45 | 65.5 Ų | 65.5 | 18% | 0.176 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -73 | -46.5 | 179.1 | -169.6 | -106.9 | 0 | 0 | 0 | 111.5 | F1178 A1217 L1218 H1219 K1223 V1234 C1235 I1238 | F1178-Y1221 AromaticContact CD1-CD2 3.55Å; F1178-Y1221 HydrophobicContact CD1-CD2 3.55Å; F1178-Y1221 AromaticContact CD1-CE2 3.71Å; F1178-Y1221 HydrophobicContact CD1-CE2 3.71Å; F1178-Y1221 HydrophobicContact CD1-CG 4.18Å; F1178-Y1221 AromaticContact CE1-CD2 3.68Å; F1178-Y1221 HydrophobicContact CE1-CD2 3.68Å; F1178-Y1221 HydrophobicContact CE1-CE2 4.28Å; F1178-Y1221 AromaticContact CE1-CG 3.9Å; F1178-Y1221 HydrophobicContact CE1-CG 3.9Å; A1217-Y1221 WeakPolarHBondContact O-CB 3.4Å; A1217-Y1221 PolarHBondContact O-N 3.45Å; L1218-Y1221 PolarHBondContact O-N 3.36Å; H1219-Y1221 VanDerWaalsContact C-N 3.34Å; H1219-Y1221 PolarHBondContact O-N 3.49Å; Y1221-K1223 PolarHBondContact O-N 3.27Å; Y1221-V1234 HydrophobicContact CE1-CG1 4.43Å; Y1221-C1235 VanDerWaalsContact CD1-SG 3.59Å; Y1221-C1235 WeakPolarHBondContact CE1-SG 3.35Å; Y1221-I1238 HydrophobicContact CD1-CD1 4.16Å; Y1221-I1238 HydrophobicContact CE1-CD1 3.79Å |
| 1222 | C | 74.3 | Confident | 68.1 | Low | 0 Ų | 0 | 67.8 Ų | 67.8 | 0% | 0 | 31% | 0.312 | C | S | . | . | S | Bend | trans | -93.4 | 21.8 | -173.6 | -59.4 | 0 | 0 | 0 | 0 | 114.9 | L1218 C1235 L1276 C1277 C1280 | L1218-C1222 VanDerWaalsContact O-CB 3.3Å; L1218-C1222 WeakPolarHBondContact O-CB 3.32Å; L1218-C1222 PolarHBondContact O-N 3.13Å; C1222-C1235 HydrophobicContact CB-CB 4.31Å; C1222-C1235 VanDerWaalsContact SG-CB 3.5Å; C1222-L1276 HydrophobicContact CB-CD2 3.7Å; C1222-C1277 PolarHBondContact O-N 3.38Å; C1222-C1280 HydrophobicContact CB-CB 4.09Å |
| 1223 | K | 70.1 | Confident | 67.1 | Low | 43 Ų | 43 | 70.4 Ų | 70.4 | 19% | 0.187 | 33% | 0.325 | C | S | . | . | B | Isolated β-bridge | trans | -68.3 | 145.5 | -176.3 | 68.6 | -179.3 | 179.3 | -179.6 | 0 | 113.1 | H1219 Y1221 L1225 R1226 V1227 | H1219-K1223 PolarHBondContact O-N 2.82Å; Y1221-K1223 PolarHBondContact O-N 3.27Å; K1223-L1225 PolarHBondContact O-N 2.9Å; K1223-R1226 HydrophobicContact CG-CB 4.15Å; K1223-R1226 PolarHBondContact O-N 3.14Å; K1223-V1227 WeakPolarHBondContact O-CG2 3.41Å |
| 1224 | F | 53.6 | Low | 66.3 | Low | 146 Ų | 146 | 70.2 Ų | 70.2 | 64% | 0.64 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.7 | -30.6 | -176.3 | -162.5 | -86 | 0 | 0 | 0 | 114.9 | P1275 C1277 | F1224-P1275 PolarHBondContact N-O 2.78Å; F1224-C1277 HydrophobicContact CD2-CB 4.4Å |
| 1225 | L | 48.6 | Very low | 65.7 | Low | 161 Ų | 161 | 70.2 Ų | 70.2 | 84% | 0.843 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.9 | -7.8 | -171.3 | -75 | 168.4 | 0 | 0 | 0 | 116.3 | K1223 | K1223-L1225 PolarHBondContact O-N 2.9Š|
| 1226 | R | 50.9 | Low | 65.2 | Low | 126 Ų | 126 | 71.5 Ų | 71.5 | 48% | 0.475 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -124.2 | -5.6 | -165.2 | -106.2 | -165.1 | -179.8 | -158.6 | -13.6 | 117.6 | K1174 K1223 E1228 | K1174-R1226 VanDerWaalsContact CE-NH1 3.26Å; K1223-R1226 HydrophobicContact CG-CB 4.15Å; K1223-R1226 PolarHBondContact O-N 3.14Å; R1226-E1228 PolarHBondContact O-N 3.24Å |
| 1227 | V | 48.4 | Very low | 64.9 | Low | 37 Ų | 37 | 74.8 Ų | 74.8 | 22% | 0.224 | 35% | 0.349 | C | S | . | . | trans | -92.2 | 96.7 | -165.6 | -155.4 | 0 | 0 | 0 | 0 | 111 | K1223 A1231 H1232 | K1223-V1227 WeakPolarHBondContact O-CG2 3.41Å; V1227-A1231 HydrophobicContact CG1-CB 3.71Å; V1227-H1232 HydrophobicContact CG1-CB 3.62Å | ||
| 1228 | E | 46.1 | Very low | 64.8 | Low | 161 Ų | 161 | 75.2 Ų | 75.2 | 75% | 0.752 | 35% | 0.351 | S | S | * | . | trans | -64 | 156.6 | 165 | -66.4 | -179.4 | 179.7 | 0 | 0 | 110.2 | R1226 E1230 A1231 H1232 | R1226-E1228 PolarHBondContact O-N 3.24Å; E1228-E1230 VanDerWaalsContact C-N 3.3Å; E1228-E1230 PolarHBondContact O-N 3.07Å; E1228-E1230 VanDerWaalsContact O-N 3.1Å; E1228-A1231 WeakPolarHBondContact O-CB 3.32Å; E1228-A1231 PolarHBondContact O-N 3.34Å; E1228-H1232 PolarHBondContact O-N 3.12Å | ||
| 1229 | K | 47.1 | Very low | 64.6 | Low | 201 Ų | 201 | 75.2 Ų | 75.2 | 87% | 0.874 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -51.3 | -41.5 | -166.5 | -77.4 | -174.4 | 176.9 | -178.3 | 0 | 114.5 | H1232 | K1229-H1232 PolarHBondContact O-N 3.23Å |
| 1230 | E | 47.3 | Very low | 64.5 | Low | 180 Ų | 180 | 80 Ų | 80 | 84% | 0.841 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -72.5 | -33.3 | 179.5 | -69.7 | -178 | 171.8 | 0 | 0 | 112.9 | E1228 H1232 | E1228-E1230 VanDerWaalsContact C-N 3.3Å; E1228-E1230 PolarHBondContact O-N 3.07Å; E1228-E1230 VanDerWaalsContact O-N 3.1Å; E1230-H1232 PolarHBondContact O-N 3.29Å |
| 1231 | A | 55.7 | Low | 64.6 | Low | 36 Ų | 36 | 78.3 Ų | 78.3 | 30% | 0.298 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -69.7 | -21.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | V1227 E1228 C1235 | V1227-A1231 HydrophobicContact CG1-CB 3.71Å; E1228-A1231 WeakPolarHBondContact O-CB 3.32Å; E1228-A1231 PolarHBondContact O-N 3.34Å; A1231-C1235 PolarHBondContact O-N 2.99Å; A1231-C1235 VanDerWaalsContact O-N 3.08Å; A1231-C1235 PolarHBondContact O-SG 3.32Å |
| 1232 | H | 64.5 | Low | 65 | Low | 51 Ų | 51 | 76.2 Ų | 76.2 | 24% | 0.236 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -72.5 | -36.8 | -173.3 | -158.3 | -124.9 | 0 | 0 | 0 | 113.5 | V1227 E1228 K1229 E1230 C1235 T1236 C1277 L1279 | V1227-H1232 HydrophobicContact CG1-CB 3.62Å; E1228-H1232 PolarHBondContact O-N 3.12Å; K1229-H1232 PolarHBondContact O-N 3.23Å; E1230-H1232 PolarHBondContact O-N 3.29Å; H1232-C1235 PolarHBondContact O-N 3.46Å; H1232-T1236 PolarHBondContact O-N 3.04Å; H1232-T1236 PolarHBondContact O-OG1 3.37Å; H1232-C1277 PolarHBondContact NE2-SG 2.73Å; H1232-L1279 WeakPolarHBondContact CE1-CD1 3.38Å |
| 1233 | F | 63.8 | Low | 65.5 | Low | 132 Ų | 132 | 78.9 Ų | 78.9 | 58% | 0.579 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -64.6 | -41.7 | 176.3 | -179.9 | -101.4 | 0 | 0 | 0 | 112 | T1236 Q1237 | F1233-T1236 PolarHBondContact O-N 3.46Å; F1233-T1236 PolarHBondContact O-OG1 3.07Å; F1233-Q1237 VanDerWaalsContact CE1-CD 3.46Å; F1233-Q1237 HydrophobicContact CE1-CG 4.21Å; F1233-Q1237 HydrophobicContact CZ-CG 4.28Å; F1233-Q1237 WeakPolarHBondContact O-CG 3.39Å; F1233-Q1237 PolarHBondContact O-N 2.68Å |
| 1234 | V | 66.1 | Low | 66.1 | Low | 37 Ų | 37 | 83.4 Ų | 83.4 | 22% | 0.224 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -65.8 | -43.2 | 176.9 | -178.5 | 0 | 0 | 0 | 0 | 110.4 | D1179 Y1221 T1236 Q1237 I1238 | D1179-V1234 HydrophobicContact CB-CG1 3.56Å; Y1221-V1234 HydrophobicContact CE1-CG1 4.43Å; V1234-T1236 PolarHBondContact O-N 3.44Å; V1234-Q1237 PolarHBondContact O-N 2.96Å; V1234-I1238 HydrophobicContact CG1-CD1 3.94Å; V1234-I1238 WeakPolarHBondContact O-CB 3.43Å; V1234-I1238 WeakPolarHBondContact O-CG1 3.26Å; V1234-I1238 PolarHBondContact O-N 3.01Å |
| 1235 | C | 72.9 | Confident | 67.5 | Low | 2 Ų | 2 | 76.6 Ų | 76.6 | 1% | 0.014 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -58.6 | -44.9 | 176 | -71.3 | 0 | 0 | 0 | 0 | 112.8 | Y1221 C1222 A1231 H1232 I1238 A1239 C1280 | Y1221-C1235 VanDerWaalsContact CD1-SG 3.59Å; Y1221-C1235 WeakPolarHBondContact CE1-SG 3.35Å; C1222-C1235 HydrophobicContact CB-CB 4.31Å; C1222-C1235 VanDerWaalsContact SG-CB 3.5Å; A1231-C1235 PolarHBondContact O-N 2.99Å; A1231-C1235 VanDerWaalsContact O-N 3.08Å; A1231-C1235 PolarHBondContact O-SG 3.32Å; H1232-C1235 PolarHBondContact O-N 3.46Å; C1235-I1238 PolarHBondContact O-N 3.12Å; C1235-A1239 WeakPolarHBondContact O-CB 3.48Å; C1235-A1239 PolarHBondContact O-N 3.09Å; C1235-C1280 VanDerWaalsContact C-SG 3.59Å |
| 1236 | T | 75 | Confident | 69.3 | Low | 26 Ų | 26 | 68.9 Ų | 68.9 | 16% | 0.16 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -69.4 | -38.3 | 179 | 41.9 | 0 | 0 | 0 | 0 | 112.4 | H1232 F1233 V1234 I1238 A1239 Y1240 L1279 | H1232-T1236 PolarHBondContact O-N 3.04Å; H1232-T1236 PolarHBondContact O-OG1 3.37Å; F1233-T1236 PolarHBondContact O-N 3.46Å; F1233-T1236 PolarHBondContact O-OG1 3.07Å; V1234-T1236 PolarHBondContact O-N 3.44Å; T1236-I1238 VanDerWaalsContact C-N 3.33Å; T1236-I1238 PolarHBondContact O-N 3.39Å; T1236-A1239 PolarHBondContact O-N 2.98Å; T1236-Y1240 WeakPolarHBondContact O-CB 3.33Å; T1236-Y1240 PolarHBondContact O-N 3.42Å; T1236-L1279 HydrophobicContact CG2-CB 3.65Å; T1236-L1279 HydrophobicContact CG2-CD1 4.5Å |
| 1237 | Q | 76.5 | Confident | 70.6 | Confident | 98 Ų | 98 | 65.6 Ų | 65.6 | 46% | 0.458 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -60.5 | -44.1 | 172.8 | -76.9 | -170.4 | -21.1 | 0 | 0 | 111.9 | F1233 V1234 Y1240 Q1241 | F1233-Q1237 VanDerWaalsContact CE1-CD 3.46Å; F1233-Q1237 HydrophobicContact CE1-CG 4.21Å; F1233-Q1237 HydrophobicContact CZ-CG 4.28Å; F1233-Q1237 WeakPolarHBondContact O-CG 3.39Å; F1233-Q1237 PolarHBondContact O-N 2.68Å; V1234-Q1237 PolarHBondContact O-N 2.96Å; Q1237-Y1240 WeakPolarHBondContact O-CB 3.38Å; Q1237-Y1240 PolarHBondContact O-N 2.93Å; Q1237-Q1241 WeakPolarHBondContact O-CG 3.35Å; Q1237-Q1241 PolarHBondContact O-N 3.39Å |
| 1238 | I | 78.2 | Confident | 72 | Confident | 9 Ų | 9 | 65.3 Ų | 65.3 | 5% | 0.046 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -62.7 | -45.3 | 176.7 | -75.2 | 173.6 | 0 | 0 | 0 | 111.1 | F1182 L1186 L1218 Y1221 V1234 C1235 T1236 Y1240 Q1241 M1242 | F1182-I1238 HydrophobicContact CB-CD1 4.45Å; F1182-I1238 HydrophobicContact CD1-CB 4.33Å; F1182-I1238 HydrophobicContact CD1-CD1 4.13Å; F1182-I1238 HydrophobicContact CD1-CG1 4.2Å; F1182-I1238 HydrophobicContact CD1-CG2 3.24Å; F1182-I1238 HydrophobicContact CE1-CG2 3.23Å; F1182-I1238 HydrophobicContact CG-CG2 4.48Å; F1182-I1238 HydrophobicContact CZ-CG2 4.48Å; L1186-I1238 HydrophobicContact CD1-CG2 4.29Å; L1218-I1238 HydrophobicContact CD1-CG2 3.54Å; Y1221-I1238 HydrophobicContact CD1-CD1 4.16Å; Y1221-I1238 HydrophobicContact CE1-CD1 3.79Å; V1234-I1238 HydrophobicContact CG1-CD1 3.94Å; V1234-I1238 WeakPolarHBondContact O-CB 3.43Å; V1234-I1238 WeakPolarHBondContact O-CG1 3.26Å; V1234-I1238 PolarHBondContact O-N 3.01Å; C1235-I1238 PolarHBondContact O-N 3.12Å; T1236-I1238 VanDerWaalsContact C-N 3.33Å; T1236-I1238 PolarHBondContact O-N 3.39Å; I1238-Y1240 VanDerWaalsContact C-N 3.28Å; I1238-Y1240 PolarHBondContact O-N 3.38Å; I1238-Q1241 PolarHBondContact O-N 3.02Å; I1238-M1242 PolarHBondContact O-N 3.04Å |
| 1239 | A | 81.3 | Confident | 73.6 | Confident | 1 Ų | 1 | 57.7 Ų | 57.7 | 1% | 0.008 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -59.6 | -39.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | L1218 C1235 T1236 M1242 R1243 C1280 E1283 V1284 | L1218-A1239 HydrophobicContact CD1-CB 4.38Å; C1235-A1239 WeakPolarHBondContact O-CB 3.48Å; C1235-A1239 PolarHBondContact O-N 3.09Å; T1236-A1239 PolarHBondContact O-N 2.98Å; A1239-M1242 PolarHBondContact O-N 3.44Å; A1239-R1243 PolarHBondContact O-N 3Å; A1239-C1280 HydrophobicContact CB-CB 4.09Å; A1239-E1283 HydrophobicContact CB-CB 4.04Å; A1239-V1284 HydrophobicContact CB-CB 4.33Å |
| 1240 | Y | 80.8 | Confident | 74.9 | Confident | 100 Ų | 100 | 48.4 Ų | 48.4 | 39% | 0.392 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -65.3 | -41.9 | 175.1 | 176.2 | -99.7 | 0 | 0 | 0 | 112.7 | T1236 Q1237 I1238 R1243 R1244 | T1236-Y1240 WeakPolarHBondContact O-CB 3.33Å; T1236-Y1240 PolarHBondContact O-N 3.42Å; Q1237-Y1240 WeakPolarHBondContact O-CB 3.38Å; Q1237-Y1240 PolarHBondContact O-N 2.93Å; I1238-Y1240 VanDerWaalsContact C-N 3.28Å; I1238-Y1240 PolarHBondContact O-N 3.38Å; Y1240-R1243 WeakPolarHBondContact O-CB 3.39Å; Y1240-R1243 PolarHBondContact O-N 3.48Å; Y1240-R1244 VanDerWaalsContact CE1-CD 3.49Å; Y1240-R1244 HydrophobicContact CE1-CG 4.11Å; Y1240-R1244 PolarHBondContact O-N 3.26Å |
| 1241 | Q | 79.5 | Confident | 76.2 | Confident | 53 Ų | 53 | 46.3 Ų | 46.3 | 25% | 0.248 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -65.5 | -38.4 | 175.1 | -65.5 | -56.3 | -18.8 | 0 | 0 | 111.8 | L1186 Q1237 I1238 R1243 R1244 L1245 | L1186-Q1241 HydrophobicContact CD1-CB 3.78Å; Q1237-Q1241 WeakPolarHBondContact O-CG 3.35Å; Q1237-Q1241 PolarHBondContact O-N 3.39Å; I1238-Q1241 PolarHBondContact O-N 3.02Å; Q1241-R1243 VanDerWaalsContact C-N 3.32Å; Q1241-R1243 PolarHBondContact O-N 3.48Å; Q1241-R1244 PolarHBondContact O-N 2.59Å; Q1241-R1244 VanDerWaalsContact O-N 3.16Å; Q1241-R1244 VanDerWaalsContact OE1-NH1 3.15Å; Q1241-L1245 PolarHBondContact O-N 3.04Å |
| 1242 | M | 84.8 | Confident | 77 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -60.3 | -42.3 | 171.8 | -174 | 65.6 | 174.2 | 0 | 0 | 111.3 | L1186 L1211 Q1215 L1218 I1238 A1239 R1244 L1245 L1246 V1284 | L1186-M1242 HydrophobicContact CD2-CB 4.49Å; L1186-M1242 HydrophobicContact CD2-SD 3.96Å; L1211-M1242 HydrophobicContact CD2-CE 4.48Å; Q1215-M1242 HydrophobicContact CB-CE 3.92Å; L1218-M1242 HydrophobicContact CD2-CB 4.1Å; L1218-M1242 HydrophobicContact CD2-CG 3.95Å; I1238-M1242 PolarHBondContact O-N 3.04Å; A1239-M1242 PolarHBondContact O-N 3.44Å; M1242-R1244 VanDerWaalsContact C-N 3.35Å; M1242-R1244 PolarHBondContact O-N 3.03Å; M1242-L1245 PolarHBondContact O-N 3.33Å; M1242-L1245 HydrophobicContact SD-CD2 4.46Å; M1242-L1246 HydrophobicContact CE-CD1 4.43Å; M1242-L1246 HydrophobicContact CE-CD2 4.21Å; M1242-L1246 HydrophobicContact CE-CG 4.33Å; M1242-L1246 HydrophobicContact CG-CD1 4.14Å; M1242-L1246 HydrophobicContact CG-CG 4.44Å; M1242-L1246 VanDerWaalsContact O-CG 3.31Å; M1242-L1246 WeakPolarHBondContact O-CG 3.34Å; M1242-L1246 PolarHBondContact O-N 2.99Å; M1242-V1284 HydrophobicContact CB-CG2 4.08Å; M1242-V1284 HydrophobicContact CG-CG2 3.95Å |
| 1243 | R | 84.9 | Confident | 77 | Confident | 56 Ų | 56 | 51 Ų | 51 | 21% | 0.211 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -56.8 | -46.4 | 172.4 | 160.1 | 175.7 | 171.2 | -163.1 | 2.1 | 112 | A1239 Y1240 Q1241 L1245 L1246 I1247 E1283 | A1239-R1243 PolarHBondContact O-N 3Å; Y1240-R1243 WeakPolarHBondContact O-CB 3.39Å; Y1240-R1243 PolarHBondContact O-N 3.48Å; Q1241-R1243 VanDerWaalsContact C-N 3.32Å; Q1241-R1243 PolarHBondContact O-N 3.48Å; R1243-L1245 VanDerWaalsContact C-N 3.31Å; R1243-L1245 PolarHBondContact O-N 3.45Å; R1243-L1246 PolarHBondContact O-N 2.99Å; R1243-I1247 HydrophobicContact CG-CD1 3.68Å; R1243-I1247 HydrophobicContact CG-CG1 4.36Å; R1243-I1247 WeakPolarHBondContact O-CG1 3.39Å; R1243-I1247 PolarHBondContact O-N 2.89Å; R1243-E1283 WeakPolarHBondContact CB-O 2.94Å; R1243-E1283 WeakPolarHBondContact CD-O 3.02Å; R1243-E1283 IonicContact NH1-OE2 3.62Å |
| 1244 | R | 82.5 | Confident | 77.1 | Confident | 138 Ų | 138 | 54.1 Ų | 54.1 | 52% | 0.521 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -61 | -41.4 | 179.3 | -70.4 | -178.7 | 70.4 | -158.2 | 10.7 | 111.7 | Y1240 Q1241 M1242 K1248 | Y1240-R1244 VanDerWaalsContact CE1-CD 3.49Å; Y1240-R1244 HydrophobicContact CE1-CG 4.11Å; Y1240-R1244 PolarHBondContact O-N 3.26Å; Q1241-R1244 PolarHBondContact O-N 2.59Å; Q1241-R1244 VanDerWaalsContact O-N 3.16Å; Q1241-R1244 VanDerWaalsContact OE1-NH1 3.15Å; M1242-R1244 VanDerWaalsContact C-N 3.35Å; M1242-R1244 PolarHBondContact O-N 3.03Å; R1244-K1248 WeakPolarHBondContact O-CB 3.22Å; R1244-K1248 PolarHBondContact O-N 2.72Å |
| 1245 | L | 82.9 | Confident | 77 | Confident | 3 Ų | 3 | 56 Ų | 56 | 2% | 0.016 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -62.2 | -48 | 175.1 | -177.5 | 59.3 | 0 | 0 | 0 | 111.4 | L1186 A1189 M1193 F1207 L1211 L1214 Q1241 M1242 R1243 I1247 K1248 V1249 | L1186-L1245 HydrophobicContact CD2-CD2 4.06Å; A1189-L1245 HydrophobicContact CB-CD2 3.96Å; M1193-L1245 HydrophobicContact CG-CD1 4.28Å; F1207-L1245 HydrophobicContact CZ-CD1 4.25Å; L1211-L1245 HydrophobicContact CD2-CD2 3.49Å; L1211-L1245 VanDerWaalsContact CD2-CD2 3.49Å; L1211-L1245 HydrophobicContact CD2-CG 3.92Å; L1214-L1245 HydrophobicContact CD1-CD2 4.41Å; Q1241-L1245 PolarHBondContact O-N 3.04Å; M1242-L1245 PolarHBondContact O-N 3.33Å; M1242-L1245 HydrophobicContact SD-CD2 4.46Å; R1243-L1245 VanDerWaalsContact C-N 3.31Å; R1243-L1245 PolarHBondContact O-N 3.45Å; L1245-I1247 PolarHBondContact O-N 3.31Å; L1245-K1248 WeakPolarHBondContact O-CB 3.38Å; L1245-K1248 PolarHBondContact O-N 2.89Å; L1245-V1249 VanDerWaalsContact O-CG2 3.31Å; L1245-V1249 WeakPolarHBondContact O-CG2 3.35Å; L1245-V1249 PolarHBondContact O-N 2.92Å |
| 1246 | L | 85.1 | Confident | 76.9 | Confident | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62 | -42.8 | 179.3 | -69 | 170.5 | 0 | 0 | 0 | 112.9 | M1242 R1243 K1248 V1249 A1250 V1263 V1284 Y1288 L1291 | M1242-L1246 HydrophobicContact CE-CD1 4.43Å; M1242-L1246 HydrophobicContact CE-CD2 4.21Å; M1242-L1246 HydrophobicContact CE-CG 4.33Å; M1242-L1246 HydrophobicContact CG-CD1 4.14Å; M1242-L1246 HydrophobicContact CG-CG 4.44Å; M1242-L1246 VanDerWaalsContact O-CG 3.31Å; M1242-L1246 WeakPolarHBondContact O-CG 3.34Å; M1242-L1246 PolarHBondContact O-N 2.99Å; R1243-L1246 PolarHBondContact O-N 2.99Å; L1246-K1248 VanDerWaalsContact C-N 3.29Å; L1246-K1248 PolarHBondContact O-N 3.35Å; L1246-V1249 PolarHBondContact O-N 3.49Å; L1246-A1250 PolarHBondContact O-N 2.97Å; L1246-V1263 HydrophobicContact CD2-CG1 4.16Å; L1246-V1284 HydrophobicContact CD1-CG2 4.38Å; L1246-Y1288 HydrophobicContact CD1-CD1 3.92Å; L1246-Y1288 HydrophobicContact CD1-CD2 3.8Å; L1246-Y1288 HydrophobicContact CD1-CE1 3.73Å; L1246-Y1288 HydrophobicContact CD1-CE2 3.62Å; L1246-Y1288 HydrophobicContact CD1-CG 3.94Å; L1246-Y1288 HydrophobicContact CD2-CE1 4.27Å; L1246-L1291 HydrophobicContact CD2-CD1 4.28Å |
| 1247 | I | 79.2 | Confident | 76.6 | Confident | 56 Ų | 56 | 55.6 Ų | 55.6 | 29% | 0.287 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -61.3 | -42.3 | 175.3 | -69.5 | 170.1 | 0 | 0 | 0 | 110.2 | R1243 L1245 V1249 A1250 Q1251 E1290 | R1243-I1247 HydrophobicContact CG-CD1 3.68Å; R1243-I1247 HydrophobicContact CG-CG1 4.36Å; R1243-I1247 WeakPolarHBondContact O-CG1 3.39Å; R1243-I1247 PolarHBondContact O-N 2.89Å; L1245-I1247 PolarHBondContact O-N 3.31Å; I1247-V1249 VanDerWaalsContact C-N 3.35Å; I1247-V1249 PolarHBondContact O-N 3.18Å; I1247-A1250 WeakPolarHBondContact O-CB 3.21Å; I1247-A1250 PolarHBondContact O-N 3.44Å; I1247-Q1251 PolarHBondContact O-N 3.13Å; I1247-E1290 HydrophobicContact CG1-CB 4.41Å |
| 1248 | K | 78.6 | Confident | 76 | Confident | 31 Ų | 31 | 58.7 Ų | 58.7 | 14% | 0.135 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -63.7 | -41 | 177.6 | -168.6 | 179.9 | -173.8 | -178.6 | 0 | 111.7 | S1190 M1193 N1194 R1244 L1245 L1246 A1250 Q1251 Y1252 | S1190-K1248 PolarHBondContact O-NZ 3.35Å; S1190-K1248 PolarHBondContact OG-NZ 3.3Å; M1193-K1248 HydrophobicContact CB-CD 4.16Å; N1194-K1248 PolarHBondContact ND2-NZ 3.02Å; N1194-K1248 WeakPolarHBondContact OD1-CE 3.49Å; N1194-K1248 PolarHBondContact OD1-NZ 2.89Å; R1244-K1248 WeakPolarHBondContact O-CB 3.22Å; R1244-K1248 PolarHBondContact O-N 2.72Å; L1245-K1248 WeakPolarHBondContact O-CB 3.38Å; L1245-K1248 PolarHBondContact O-N 2.89Å; L1246-K1248 VanDerWaalsContact C-N 3.29Å; L1246-K1248 PolarHBondContact O-N 3.35Å; K1248-A1250 VanDerWaalsContact C-N 3.31Å; K1248-A1250 PolarHBondContact O-N 2.92Å; K1248-Q1251 WeakPolarHBondContact O-CB 3.35Å; K1248-Q1251 PolarHBondContact O-N 2.98Å; K1248-Q1251 VanDerWaalsContact O-N 3.17Å; K1248-Y1252 WeakPolarHBondContact O-CD2 3.35Å; K1248-Y1252 WeakPolarHBondContact O-CE2 3.35Å |
| 1249 | V | 78.1 | Confident | 75.5 | Confident | 2 Ų | 2 | 59.8 Ų | 59.8 | 1% | 0.012 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -62.3 | -40.7 | 174 | 175.1 | 0 | 0 | 0 | 0 | 111.1 | M1193 F1207 L1211 L1245 L1246 I1247 Q1251 Y1252 F1256 L1291 | M1193-V1249 HydrophobicContact CE-CG2 4.07Å; M1193-V1249 HydrophobicContact CG-CG2 4.32Å; M1193-V1249 HydrophobicContact SD-CG2 4.11Å; F1207-V1249 HydrophobicContact CE1-CG2 3.61Å; F1207-V1249 HydrophobicContact CZ-CG2 3.86Å; L1211-V1249 HydrophobicContact CD1-CG2 4.26Å; L1245-V1249 VanDerWaalsContact O-CG2 3.31Å; L1245-V1249 WeakPolarHBondContact O-CG2 3.35Å; L1245-V1249 PolarHBondContact O-N 2.92Å; L1246-V1249 PolarHBondContact O-N 3.49Å; I1247-V1249 VanDerWaalsContact C-N 3.35Å; I1247-V1249 PolarHBondContact O-N 3.18Å; V1249-Q1251 PolarHBondContact O-N 2.62Å; V1249-Y1252 PolarHBondContact O-N 3.37Å; V1249-F1256 HydrophobicContact CG1-CB 4.26Å; V1249-F1256 HydrophobicContact CG1-CD1 3.91Å; V1249-F1256 HydrophobicContact CG1-CE1 4.38Å; V1249-F1256 HydrophobicContact CG1-CG 4Å; V1249-L1291 HydrophobicContact CB-CD1 4.07Å; V1249-L1291 HydrophobicContact CG1-CD1 3.84Å |
| 1250 | A | 75.8 | Confident | 75.1 | Confident | 6 Ų | 6 | 59.9 Ų | 59.9 | 5% | 0.05 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61.8 | -21.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | L1246 I1247 K1248 Y1252 Q1253 E1290 L1291 | L1246-A1250 PolarHBondContact O-N 2.97Å; I1247-A1250 WeakPolarHBondContact O-CB 3.21Å; I1247-A1250 PolarHBondContact O-N 3.44Å; K1248-A1250 VanDerWaalsContact C-N 3.31Å; K1248-A1250 PolarHBondContact O-N 2.92Å; A1250-Y1252 PolarHBondContact O-N 3.35Å; A1250-Q1253 WeakPolarHBondContact O-CG 3.46Å; A1250-E1290 HydrophobicContact CB-CB 4.37Å; A1250-E1290 HydrophobicContact CB-CG 3.94Å; A1250-L1291 HydrophobicContact CB-CD1 4.45Å |
| 1251 | Q | 74.8 | Confident | 75 | Confident | 136 Ų | 136 | 55.1 Ų | 55.1 | 64% | 0.636 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | -19.3 | 174.6 | -65.7 | 170.6 | -11.6 | 0 | 0 | 112.8 | I1247 K1248 V1249 Q1253 | I1247-Q1251 PolarHBondContact O-N 3.13Å; K1248-Q1251 WeakPolarHBondContact O-CB 3.35Å; K1248-Q1251 PolarHBondContact O-N 2.98Å; K1248-Q1251 VanDerWaalsContact O-N 3.17Å; V1249-Q1251 PolarHBondContact O-N 2.62Å; Q1251-Q1253 VanDerWaalsContact C-N 3.3Å; Q1251-Q1253 PolarHBondContact O-N 3.06Å |
| 1252 | Y | 70.8 | Confident | 75.1 | Confident | 70 Ų | 70 | 57.9 Ų | 57.9 | 28% | 0.275 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.9 | 41.1 | 179.1 | -59.8 | -91.6 | 0 | 0 | 0 | 112 | M1193 H1196 K1248 V1249 A1250 K1254 D1255 F1256 | M1193-Y1252 HydrophobicContact CE-CD2 3.32Å; M1193-Y1252 HydrophobicContact CE-CE2 3.44Å; M1193-Y1252 VanDerWaalsContact CE-CE2 3.44Å; M1193-Y1252 HydrophobicContact CE-CG 4.06Å; M1193-Y1252 PolarHBondContact O-OH 3.04Å; H1196-Y1252 HydrophobicContact CB-CE1 4.48Å; K1248-Y1252 WeakPolarHBondContact O-CD2 3.35Å; K1248-Y1252 WeakPolarHBondContact O-CE2 3.35Å; V1249-Y1252 PolarHBondContact O-N 3.37Å; A1250-Y1252 PolarHBondContact O-N 3.35Å; Y1252-K1254 VanDerWaalsContact C-N 3.26Å; Y1252-K1254 PolarHBondContact O-N 3.17Å; Y1252-D1255 PolarHBondContact O-N 2.7Å; Y1252-F1256 PolarHBondContact O-N 2.95Å |
| 1253 | Q | 65.8 | Low | 75.1 | Confident | 114 Ų | 114 | 58 Ų | 58 | 53% | 0.533 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -42.3 | -42.4 | -168.3 | -60.5 | -177.3 | -11.6 | 0 | 0 | 115.3 | A1250 Q1251 A1257 | A1250-Q1253 WeakPolarHBondContact O-CG 3.46Å; Q1251-Q1253 VanDerWaalsContact C-N 3.3Å; Q1251-Q1253 PolarHBondContact O-N 3.06Å; Q1253-A1257 WeakPolarHBondContact O-CB 3.45Å; Q1253-A1257 PolarHBondContact O-N 3.43Å |
| 1254 | K | 65.5 | Low | 75.1 | Confident | 198 Ų | 198 | 55.3 Ų | 55.3 | 86% | 0.861 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -72.1 | -33.4 | -175.1 | -68.8 | -174.6 | -179.7 | 178.7 | 0 | 113.5 | Y1252 | Y1252-K1254 VanDerWaalsContact C-N 3.26Å; Y1252-K1254 PolarHBondContact O-N 3.17Å |
| 1255 | D | 65 | Low | 75.2 | Confident | 76 Ų | 76 | 49.3 Ų | 49.3 | 41% | 0.406 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -92 | -27 | -171.3 | -57.6 | -41.3 | 0 | 0 | 0 | 111.4 | I1204 Y1252 | I1204-D1255 HydrophobicContact CD1-CB 3.76Å; I1204-D1255 WeakPolarHBondContact CD1-O 3.27Å; Y1252-D1255 PolarHBondContact O-N 2.7Å |
| 1256 | F | 70.5 | Confident | 75.3 | Confident | 8 Ų | 8 | 50.2 Ų | 50.2 | 4% | 0.035 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -106 | -8.5 | -173.1 | -78 | -90.2 | 0 | 0 | 0 | 115.8 | M1193 I1204 F1207 V1208 V1249 Y1252 R1258 V1259 A1260 | M1193-F1256 HydrophobicContact CE-CE2 4.04Å; M1193-F1256 HydrophobicContact CE-CZ 4.15Å; M1193-F1256 HydrophobicContact SD-CZ 4.14Å; I1204-F1256 HydrophobicContact CB-CE1 4.25Å; I1204-F1256 HydrophobicContact CB-CZ 4.44Å; I1204-F1256 HydrophobicContact CD1-CD2 4.41Å; I1204-F1256 HydrophobicContact CD1-CE2 4.15Å; I1204-F1256 HydrophobicContact CD1-CZ 4.27Å; I1204-F1256 HydrophobicContact CG1-CE1 4Å; I1204-F1256 HydrophobicContact CG1-CE2 4.08Å; I1204-F1256 HydrophobicContact CG1-CZ 3.71Å; I1204-F1256 HydrophobicContact CG2-CD1 3.82Å; I1204-F1256 HydrophobicContact CG2-CE1 3.65Å; I1204-F1256 HydrophobicContact CG2-CZ 4.26Å; F1207-F1256 AromaticContact CD1-CE1 3.72Å; F1207-F1256 HydrophobicContact CD1-CE1 3.72Å; F1207-F1256 HydrophobicContact CD1-CZ 4.12Å; F1207-F1256 HydrophobicContact CE1-CE1 4.22Å; V1208-F1256 HydrophobicContact CG2-CD1 4.39Å; V1208-F1256 HydrophobicContact CG2-CE1 4.36Å; V1249-F1256 HydrophobicContact CG1-CB 4.26Å; V1249-F1256 HydrophobicContact CG1-CD1 3.91Å; V1249-F1256 HydrophobicContact CG1-CE1 4.38Å; V1249-F1256 HydrophobicContact CG1-CG 4Å; Y1252-F1256 PolarHBondContact O-N 2.95Å; F1256-R1258 PolarHBondContact O-N 3.48Å; F1256-V1259 PolarHBondContact O-N 3.18Å; F1256-A1260 WeakPolarHBondContact O-CB 3.31Å; F1256-A1260 PolarHBondContact O-N 3.08Å |
| 1257 | A | 68.3 | Low | 75.6 | Confident | 12 Ų | 12 | 50.2 Ų | 50.2 | 10% | 0.099 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -49 | -51.3 | -171.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q1253 V1259 A1261 C1294 S1299 | Q1253-A1257 WeakPolarHBondContact O-CB 3.45Å; Q1253-A1257 PolarHBondContact O-N 3.43Å; A1257-V1259 VanDerWaalsContact C-N 3.29Å; A1257-V1259 PolarHBondContact O-N 3.41Å; A1257-A1261 PolarHBondContact O-N 2.92Å; A1257-C1294 VanDerWaalsContact CB-O 3.29Å; A1257-C1294 WeakPolarHBondContact CB-O 3.38Å; A1257-S1299 PolarHBondContact O-OG 3.17Å |
| 1258 | R | 64.7 | Low | 76 | Confident | 164 Ų | 164 | 47.6 Ų | 47.6 | 62% | 0.619 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -67.9 | -30.6 | 179.5 | -71.7 | -176.3 | -178.6 | 178 | 0.1 | 113.3 | F1256 A1261 Y1262 S1299 | F1256-R1258 PolarHBondContact O-N 3.48Å; R1258-A1261 WeakPolarHBondContact O-CB 3.37Å; R1258-Y1262 WeakPolarHBondContact O-CD2 3.41Å; R1258-S1299 WeakPolarHBondContact CA-OG 3.33Å |
| 1259 | V | 66 | Low | 76.4 | Confident | 31 Ų | 31 | 49.6 Ų | 49.6 | 19% | 0.188 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -87 | -34.6 | -172.7 | -154.7 | 0 | 0 | 0 | 0 | 111.1 | I1204 V1208 F1256 A1257 A1261 Y1262 V1263 | I1204-V1259 HydrophobicContact CG2-CB 4.14Å; I1204-V1259 HydrophobicContact CG2-CG1 4.41Å; I1204-V1259 HydrophobicContact CG2-CG2 3.68Å; V1208-V1259 HydrophobicContact CB-CG1 3.5Å; V1208-V1259 VanDerWaalsContact CB-CG1 3.5Å; V1208-V1259 HydrophobicContact CG1-CG1 3.44Å; V1208-V1259 VanDerWaalsContact CG1-CG1 3.44Å; V1208-V1259 HydrophobicContact CG2-CB 3.79Å; V1208-V1259 HydrophobicContact CG2-CG1 3.09Å; F1256-V1259 PolarHBondContact O-N 3.18Å; A1257-V1259 VanDerWaalsContact C-N 3.29Å; A1257-V1259 PolarHBondContact O-N 3.41Å; V1259-A1261 PolarHBondContact O-N 3.41Å; V1259-Y1262 WeakPolarHBondContact O-CB 3.39Å; V1259-Y1262 PolarHBondContact O-N 2.94Å; V1259-V1263 PolarHBondContact O-N 3.22Å |
| 1260 | A | 74.4 | Confident | 76.7 | Confident | 4 Ų | 4 | 51.4 Ų | 51.4 | 3% | 0.033 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -55.9 | -30.8 | 168.6 | 0 | 0 | 0 | 0 | 0 | 113 | F1256 Y1262 V1263 V1264 L1291 F1295 | F1256-A1260 WeakPolarHBondContact O-CB 3.31Å; F1256-A1260 PolarHBondContact O-N 3.08Å; A1260-Y1262 VanDerWaalsContact C-N 3.34Å; A1260-Y1262 PolarHBondContact O-N 3.12Å; A1260-V1263 PolarHBondContact O-N 3.04Å; A1260-V1264 PolarHBondContact O-N 2.98Å; A1260-V1264 VanDerWaalsContact O-N 3.07Å; A1260-L1291 HydrophobicContact CB-CD1 4.29Å; A1260-L1291 HydrophobicContact CB-CD2 3.49Å; A1260-L1291 VanDerWaalsContact CB-CD2 3.49Å; A1260-L1291 HydrophobicContact CB-CG 3.66Å; A1260-L1291 WeakPolarHBondContact O-CD2 3.26Å; A1260-F1295 VanDerWaalsContact C-CE1 3.45Å; A1260-F1295 HydrophobicContact CB-CD1 4.37Å; A1260-F1295 HydrophobicContact CB-CE1 3.62Å; A1260-F1295 WeakPolarHBondContact O-CZ 3.18Å |
| 1261 | A | 78.7 | Confident | 77.2 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -59.6 | -41.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | A1257 R1258 V1259 V1264 A1265 F1295 M1302 L1303 | A1257-A1261 PolarHBondContact O-N 2.92Å; R1258-A1261 WeakPolarHBondContact O-CB 3.37Å; V1259-A1261 PolarHBondContact O-N 3.41Å; A1261-V1264 PolarHBondContact O-N 2.71Å; A1261-A1265 WeakPolarHBondContact O-CB 3.43Å; A1261-A1265 PolarHBondContact O-N 3.42Å; A1261-F1295 VanDerWaalsContact CA-CZ 3.41Å; A1261-F1295 HydrophobicContact CB-CE1 4.42Å; A1261-F1295 HydrophobicContact CB-CE2 4.36Å; A1261-F1295 HydrophobicContact CB-CZ 4.21Å; A1261-M1302 HydrophobicContact CB-CE 4.04Å; A1261-L1303 HydrophobicContact CB-CD1 4.3Å; A1261-L1303 HydrophobicContact CB-CG 4.46Å |
| 1262 | Y | 79.8 | Confident | 77.5 | Confident | 110 Ų | 110 | 47.5 Ų | 47.5 | 43% | 0.431 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -66.7 | -40 | 176.7 | -67.6 | -81.1 | 0 | 0 | 0 | 111.9 | R1258 V1259 A1260 V1264 A1265 D1266 M1302 | R1258-Y1262 WeakPolarHBondContact O-CD2 3.41Å; V1259-Y1262 WeakPolarHBondContact O-CB 3.39Å; V1259-Y1262 PolarHBondContact O-N 2.94Å; A1260-Y1262 VanDerWaalsContact C-N 3.34Å; A1260-Y1262 PolarHBondContact O-N 3.12Å; Y1262-V1264 PolarHBondContact O-N 3.05Å; Y1262-A1265 WeakPolarHBondContact O-CB 3.5Å; Y1262-A1265 PolarHBondContact O-N 3.4Å; Y1262-D1266 WeakPolarHBondContact O-CB 3.5Å; Y1262-D1266 PolarHBondContact O-N 2.97Å; Y1262-M1302 HydrophobicContact CD1-CE 3.65Å; Y1262-M1302 HydrophobicContact CD2-CE 3.88Å; Y1262-M1302 HydrophobicContact CE1-CE 3.38Å; Y1262-M1302 HydrophobicContact CE1-SD 4Å; Y1262-M1302 HydrophobicContact CE2-CE 3.63Å; Y1262-M1302 HydrophobicContact CE2-SD 3.93Å; Y1262-M1302 HydrophobicContact CG-CE 3.9Å; Y1262-M1302 VanDerWaalsContact CZ-SD 3.51Å; Y1262-M1302 PolarHBondContact OH-SD 2.95Å; Y1262-M1302 VanDerWaalsContact OH-SD 3.38Å |
| 1263 | V | 84.9 | Confident | 78 | Confident | 2 Ų | 2 | 47.5 Ų | 47.5 | 1% | 0.012 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61.2 | -44.8 | 178.1 | 179.2 | 0 | 0 | 0 | 0 | 110.8 | V1208 L1211 Q1215 L1246 V1259 A1260 D1266 F1267 Y1288 L1291 | V1208-V1263 HydrophobicContact CG1-CG2 4.06Å; L1211-V1263 HydrophobicContact CD1-CG2 4.37Å; Q1215-V1263 PolarHBondContact NE2-O 3.35Å; Q1215-V1263 VanDerWaalsContact OE1-CG1 3.24Å; Q1215-V1263 PolarHBondContact OE1-O 2.84Å; L1246-V1263 HydrophobicContact CD2-CG1 4.16Å; V1259-V1263 PolarHBondContact O-N 3.22Å; A1260-V1263 PolarHBondContact O-N 3.04Å; V1263-D1266 PolarHBondContact O-N 3.19Å; V1263-F1267 PolarHBondContact O-N 2.66Å; V1263-Y1288 HydrophobicContact CG1-CE1 4.05Å; V1263-L1291 HydrophobicContact CB-CD2 4.08Å; V1263-L1291 HydrophobicContact CG1-CD2 4.16Å |
| 1264 | V | 86.3 | Confident | 78.4 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -68.7 | -38.9 | 174.8 | 170.7 | 0 | 0 | 0 | 0 | 112.2 | A1260 A1261 Y1262 D1266 F1267 I1268 Y1288 L1291 F1295 Y1315 F1319 | A1260-V1264 PolarHBondContact O-N 2.98Å; A1260-V1264 VanDerWaalsContact O-N 3.07Å; A1261-V1264 PolarHBondContact O-N 2.71Å; Y1262-V1264 PolarHBondContact O-N 3.05Å; V1264-D1266 VanDerWaalsContact C-N 3.3Å; V1264-D1266 PolarHBondContact O-N 3Å; V1264-F1267 WeakPolarHBondContact O-CB 3.45Å; V1264-F1267 PolarHBondContact O-N 3.46Å; V1264-F1267 VanDerWaalsContact O-N 3.12Å; V1264-I1268 WeakPolarHBondContact O-CG1 3.31Å; V1264-I1268 PolarHBondContact O-N 3.12Å; V1264-Y1288 HydrophobicContact CG2-CD1 4.14Å; V1264-L1291 HydrophobicContact CG2-CD2 3.9Å; V1264-F1295 HydrophobicContact CB-CE2 4.12Å; V1264-F1295 HydrophobicContact CB-CZ 3.76Å; V1264-F1295 HydrophobicContact CG1-CE2 4.29Å; V1264-F1295 HydrophobicContact CG1-CZ 4.39Å; V1264-F1295 HydrophobicContact CG2-CE2 4.23Å; V1264-F1295 HydrophobicContact CG2-CZ 3.56Å; V1264-Y1315 HydrophobicContact CG1-CE2 4.44Å; V1264-F1319 HydrophobicContact CG1-CD2 4.3Å; V1264-F1319 HydrophobicContact CG1-CE1 4.23Å; V1264-F1319 HydrophobicContact CG1-CE2 3.69Å; V1264-F1319 HydrophobicContact CG1-CZ 3.66Å; V1264-F1319 HydrophobicContact CG2-CZ 4.5Å |
| 1265 | A | 84.4 | Confident | 78.8 | Confident | 13 Ų | 13 | 39.8 Ų | 39.8 | 11% | 0.107 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -57.9 | -45.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | A1261 Y1262 F1267 I1268 H1269 L1303 | A1261-A1265 WeakPolarHBondContact O-CB 3.43Å; A1261-A1265 PolarHBondContact O-N 3.42Å; Y1262-A1265 WeakPolarHBondContact O-CB 3.5Å; Y1262-A1265 PolarHBondContact O-N 3.4Å; A1265-F1267 VanDerWaalsContact C-N 3.29Å; A1265-F1267 PolarHBondContact O-N 3.31Å; A1265-I1268 PolarHBondContact O-N 3.38Å; A1265-H1269 WeakPolarHBondContact O-CB 3.47Å; A1265-H1269 PolarHBondContact O-N 3.28Å; A1265-L1303 HydrophobicContact CB-CD2 3.54Å |
| 1266 | D | 85.8 | Confident | 79.5 | Confident | 22 Ų | 22 | 36.7 Ų | 36.7 | 12% | 0.118 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -66.5 | -33 | 177 | -78 | -3.4 | 0 | 0 | 0 | 111.6 | R1212 Y1262 V1263 V1264 H1269 F1270 | R1212-D1266 IonicContact CZ-OD2 2.7Å; R1212-D1266 VanDerWaalsContact CZ-OD2 3.22Å; R1212-D1266 IonicContact NE-OD2 2.69Å; R1212-D1266 PolarHBondContact NE-OD2 3.26Å; R1212-D1266 IonicContact NH2-OD1 3.68Å; R1212-D1266 IonicContact NH2-OD2 2.84Å; R1212-D1266 PolarHBondContact NH2-OD2 2.7Å; Y1262-D1266 WeakPolarHBondContact O-CB 3.5Å; Y1262-D1266 PolarHBondContact O-N 2.97Å; V1263-D1266 PolarHBondContact O-N 3.19Å; V1264-D1266 VanDerWaalsContact C-N 3.3Å; V1264-D1266 PolarHBondContact O-N 3Å; D1266-H1269 PolarHBondContact O-N 3.07Å; D1266-F1270 HydrophobicContact CB-CD2 4.26Å; D1266-F1270 HydrophobicContact CB-CE2 3.87Å; D1266-F1270 WeakPolarHBondContact O-CB 3.15Å; D1266-F1270 WeakPolarHBondContact O-CD2 3.48Å; D1266-F1270 VanDerWaalsContact O-CG 3.29Å; D1266-F1270 WeakPolarHBondContact O-CG 3.26Å; D1266-F1270 PolarHBondContact O-N 3.42Å |
| 1267 | F | 89.7 | Confident | 79.7 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -66.3 | -45.7 | -179.8 | 168.6 | -110 | 0 | 0 | 0 | 110 | H1219 V1263 V1264 A1265 H1269 F1270 S1271 L1276 M1281 V1284 L1285 Y1288 L1318 F1319 | H1219-F1267 AromaticContact CE1-CD2 3.61Å; H1219-F1267 AromaticContact NE2-CD2 3.65Å; H1219-F1267 AromaticContact NE2-CE2 3.81Å; V1263-F1267 PolarHBondContact O-N 2.66Å; V1264-F1267 WeakPolarHBondContact O-CB 3.45Å; V1264-F1267 PolarHBondContact O-N 3.46Å; V1264-F1267 VanDerWaalsContact O-N 3.12Å; A1265-F1267 VanDerWaalsContact C-N 3.29Å; A1265-F1267 PolarHBondContact O-N 3.31Å; F1267-H1269 VanDerWaalsContact C-N 3.32Å; F1267-F1270 PolarHBondContact O-N 3.38Å; F1267-S1271 WeakPolarHBondContact O-CB 3.3Å; F1267-S1271 PolarHBondContact O-N 3.44Å; F1267-S1271 PolarHBondContact O-OG 3.12Å; F1267-L1276 HydrophobicContact CE2-CD1 4.2Å; F1267-M1281 HydrophobicContact CE1-CE 3.96Å; F1267-M1281 HydrophobicContact CE2-CE 4.47Å; F1267-M1281 HydrophobicContact CE2-SD 4.17Å; F1267-M1281 HydrophobicContact CZ-CE 3.46Å; F1267-M1281 VanDerWaalsContact CZ-CE 3.46Å; F1267-M1281 HydrophobicContact CZ-SD 3.62Å; F1267-V1284 HydrophobicContact CE2-CG1 4.04Å; F1267-V1284 HydrophobicContact CZ-CG1 4.39Å; F1267-L1285 HydrophobicContact CE1-CD1 4.05Å; F1267-L1285 HydrophobicContact CZ-CD1 4.33Å; F1267-Y1288 HydrophobicContact CB-CD1 3.91Å; F1267-Y1288 HydrophobicContact CB-CE1 3.59Å; F1267-Y1288 HydrophobicContact CB-CE2 4.47Å; F1267-Y1288 HydrophobicContact CB-CG 4.5Å; F1267-Y1288 HydrophobicContact CD1-CD1 4.18Å; F1267-Y1288 HydrophobicContact CD1-CD2 4.07Å; F1267-Y1288 HydrophobicContact CD1-CE2 4.39Å; F1267-Y1288 AromaticContact CD1-CG 3.96Å; F1267-Y1288 HydrophobicContact CD1-CG 3.96Å; F1267-Y1288 HydrophobicContact CD2-CD1 4.38Å; F1267-Y1288 AromaticContact CD2-CD2 3.79Å; F1267-Y1288 HydrophobicContact CD2-CD2 3.79Å; F1267-Y1288 AromaticContact CD2-CE1 3.98Å; F1267-Y1288 HydrophobicContact CD2-CE1 3.98Å; F1267-Y1288 AromaticContact CD2-CE2 3.31Å; F1267-Y1288 HydrophobicContact CD2-CE2 3.31Å; F1267-Y1288 HydrophobicContact CD2-CG 4.3Å; F1267-Y1288 AromaticContact CD2-CZ 3.43Å; F1267-Y1288 VanDerWaalsContact CD2-CZ 3.43Å; F1267-Y1288 HydrophobicContact CE1-CD2 4Å; F1267-Y1288 HydrophobicContact CE1-CE2 4.48Å; F1267-Y1288 HydrophobicContact CE1-CG 4.2Å; F1267-Y1288 AromaticContact CE2-CD2 3.74Å; F1267-Y1288 HydrophobicContact CE2-CD2 3.74Å; F1267-Y1288 AromaticContact CE2-CE2 3.45Å; F1267-Y1288 HydrophobicContact CE2-CE2 3.45Å; F1267-Y1288 VanDerWaalsContact CE2-CE2 3.45Å; F1267-Y1288 AromaticContact CG-CD1 3.9Å; F1267-Y1288 HydrophobicContact CG-CD1 3.9Å; F1267-Y1288 AromaticContact CG-CD2 3.95Å; F1267-Y1288 HydrophobicContact CG-CD2 3.95Å; F1267-Y1288 AromaticContact CG-CE1 3.78Å; F1267-Y1288 HydrophobicContact CG-CE1 3.78Å; F1267-Y1288 AromaticContact CG-CE2 3.81Å; F1267-Y1288 HydrophobicContact CG-CE2 3.81Å; F1267-Y1288 AromaticContact CG-CG 3.99Å; F1267-Y1288 HydrophobicContact CG-CG 3.99Å; F1267-Y1288 AromaticContact CG-CZ 3.74Å; F1267-Y1288 AromaticContact CZ-CD2 3.82Å; F1267-Y1288 HydrophobicContact CZ-CD2 3.82Å; F1267-Y1288 HydrophobicContact CZ-CE2 4.03Å; F1267-Y1288 HydrophobicContact CZ-CG 4.47Å; F1267-L1318 HydrophobicContact CE1-CD1 4.1Å; F1267-F1319 HydrophobicContact CD1-CE2 4.25Å; F1267-F1319 HydrophobicContact CD1-CZ 4.11Å; F1267-F1319 HydrophobicContact CE1-CE2 4.45Å; F1267-F1319 HydrophobicContact CE1-CZ 4.26Å |
| 1268 | I | 87.5 | Confident | 80 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -59.9 | -45 | 171.3 | -67.6 | -58.7 | 0 | 0 | 0 | 110.9 | V1264 A1265 S1271 C1272 L1307 K1311 L1314 Y1315 L1318 F1319 | V1264-I1268 WeakPolarHBondContact O-CG1 3.31Å; V1264-I1268 PolarHBondContact O-N 3.12Å; A1265-I1268 PolarHBondContact O-N 3.38Å; I1268-S1271 PolarHBondContact O-N 2.82Å; I1268-C1272 WeakPolarHBondContact O-CB 3.19Å; I1268-C1272 PolarHBondContact O-N 3.31Å; I1268-L1307 HydrophobicContact CG2-CD1 4.33Å; I1268-L1307 HydrophobicContact CG2-CD2 4.15Å; I1268-K1311 HydrophobicContact CG2-CB 3.94Å; I1268-K1311 WeakPolarHBondContact CG2-O 3.33Å; I1268-L1314 HydrophobicContact CD1-CD2 4.28Å; I1268-L1314 HydrophobicContact CD1-CG 4.08Å; I1268-L1314 HydrophobicContact CG2-CB 4.45Å; I1268-L1314 HydrophobicContact CG2-CD2 4.46Å; I1268-Y1315 HydrophobicContact CG1-CD2 4.16Å; I1268-L1318 HydrophobicContact CD1-CD1 3.69Å; I1268-F1319 HydrophobicContact CD1-CD2 4.04Å; I1268-F1319 HydrophobicContact CD1-CE2 3.61Å; I1268-F1319 HydrophobicContact CG1-CD2 4.48Å; I1268-F1319 HydrophobicContact CG1-CE2 4Å |
| 1269 | H | 87.3 | Confident | 80.5 | Confident | 74 Ų | 74 | 38.7 Ų | 38.7 | 34% | 0.343 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -60.6 | -49.1 | -179.8 | -175.9 | 13.8 | 0 | 0 | 0 | 112.1 | A1265 D1266 F1267 C1272 A1273 K1311 | A1265-H1269 WeakPolarHBondContact O-CB 3.47Å; A1265-H1269 PolarHBondContact O-N 3.28Å; D1266-H1269 PolarHBondContact O-N 3.07Å; F1267-H1269 VanDerWaalsContact C-N 3.32Å; H1269-C1272 PolarHBondContact O-N 3.2Å; H1269-A1273 PolarHBondContact O-N 2.8Å; H1269-K1311 HydrophobicContact CB-CD 4.4Å; H1269-K1311 PolarHBondContact CE1-NZ 3.38Å; H1269-K1311 VanDerWaalsContact CG-NZ 3.26Å; H1269-K1311 WeakPolarHBondContact ND1-CE 3.35Å; H1269-K1311 PolarHBondContact ND1-NZ 2.85Å; H1269-K1311 PolarHBondContact NE2-NZ 3.08Å |
| 1270 | F | 85.8 | Confident | 81.1 | Confident | 39 Ų | 39 | 37.2 Ų | 37.2 | 17% | 0.171 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -67.6 | -43.6 | 179.5 | -63.6 | -46.5 | 0 | 0 | 0 | 111.2 | Q1215 N1216 H1219 D1266 F1267 C1272 A1273 E1274 | Q1215-F1270 HydrophobicContact CG-CD2 4.15Å; Q1215-F1270 HydrophobicContact CG-CE2 4.42Å; N1216-F1270 HydrophobicContact CB-CE1 4.32Å; N1216-F1270 HydrophobicContact CB-CE2 3.83Å; N1216-F1270 HydrophobicContact CB-CZ 3.72Å; H1219-F1270 HydrophobicContact CB-CB 4.24Å; D1266-F1270 HydrophobicContact CB-CD2 4.26Å; D1266-F1270 HydrophobicContact CB-CE2 3.87Å; D1266-F1270 WeakPolarHBondContact O-CB 3.15Å; D1266-F1270 WeakPolarHBondContact O-CD2 3.48Å; D1266-F1270 VanDerWaalsContact O-CG 3.29Å; D1266-F1270 WeakPolarHBondContact O-CG 3.26Å; D1266-F1270 PolarHBondContact O-N 3.42Å; F1267-F1270 PolarHBondContact O-N 3.38Å; F1270-C1272 VanDerWaalsContact C-N 3.26Å; F1270-C1272 PolarHBondContact O-N 2.96Å; F1270-A1273 PolarHBondContact O-N 3.16Å; F1270-E1274 CarbonylContact O-C 3.53Å; F1270-E1274 PolarHBondContact O-N 3.1Å |
| 1271 | S | 85.8 | Confident | 81.4 | Confident | 11 Ų | 11 | 38.8 Ų | 38.8 | 8% | 0.077 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -62 | -31.5 | 176.9 | -67.4 | 0 | 0 | 0 | 0 | 113.2 | H1219 F1267 I1268 P1275 | H1219-S1271 PolarHBondContact NE2-OG 2.87Å; F1267-S1271 WeakPolarHBondContact O-CB 3.3Å; F1267-S1271 PolarHBondContact O-N 3.44Å; F1267-S1271 PolarHBondContact O-OG 3.12Å; I1268-S1271 PolarHBondContact O-N 2.82Å; S1271-P1275 WeakPolarHBondContact O-CA 3.2Å |
| 1272 | C | 81.2 | Confident | 81.4 | Confident | 49 Ų | 49 | 43.8 Ų | 43.8 | 33% | 0.331 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -71 | -35.2 | 172 | -84.5 | 0 | 0 | 0 | 0 | 113.3 | I1268 H1269 F1270 K1311 L1314 | I1268-C1272 WeakPolarHBondContact O-CB 3.19Å; I1268-C1272 PolarHBondContact O-N 3.31Å; H1269-C1272 PolarHBondContact O-N 3.2Å; F1270-C1272 VanDerWaalsContact C-N 3.26Å; F1270-C1272 PolarHBondContact O-N 2.96Å; C1272-K1311 HydrophobicContact CB-CG 4.32Å; C1272-L1314 HydrophobicContact CB-CD2 4.36Å; C1272-L1314 WeakPolarHBondContact SG-CD2 3.41Å |
| 1273 | A | 79.9 | Confident | 81.5 | Confident | 70 Ų | 70 | 41.7 Ų | 41.7 | 58% | 0.579 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -84.6 | -43.6 | -177 | 0 | 0 | 0 | 0 | 0 | 112.1 | H1269 F1270 | H1269-A1273 PolarHBondContact O-N 2.8Å; F1270-A1273 PolarHBondContact O-N 3.16Å |
| 1274 | E | 74.3 | Confident | 81.5 | Confident | 76 Ų | 76 | 41.6 Ų | 41.6 | 36% | 0.355 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -140.5 | 88.3 | -176.6 | -64.2 | -170.1 | 165.8 | 0 | 0 | 108.9 | F1270 L1276 | F1270-E1274 CarbonylContact O-C 3.53Å; F1270-E1274 PolarHBondContact O-N 3.1Å; E1274-L1276 PolarHBondContact O-N 3.38Å |
| 1275 | P | 75.5 | Confident | 81.4 | Confident | 75 Ų | 75 | 43.1 Ų | 43.1 | 49% | 0.487 | 23% | 0.233 | S | C | . | . | P | Polyproline II helix | trans | -65.2 | 135.8 | -177.9 | 24.6 | -32.4 | 0 | 0 | 0 | 111.3 | F1224 S1271 | F1224-P1275 PolarHBondContact N-O 2.78Å; S1271-P1275 WeakPolarHBondContact O-CA 3.2Å |
| 1276 | L | 78.6 | Confident | 81.4 | Confident | 11 Ų | 11 | 44.4 Ų | 44.4 | 6% | 0.058 | 24% | 0.24 | C | C | . | . | B | Isolated β-bridge | trans | -60.5 | 152.1 | 169.2 | -67.2 | 174.2 | 0 | 0 | 0 | 110.2 | H1219 C1222 F1267 E1274 C1280 M1281 V1284 | H1219-L1276 HydrophobicContact CB-CD2 4.37Å; C1222-L1276 HydrophobicContact CB-CD2 3.7Å; F1267-L1276 HydrophobicContact CE2-CD1 4.2Å; E1274-L1276 PolarHBondContact O-N 3.38Å; L1276-C1280 HydrophobicContact CB-CB 4.43Å; L1276-M1281 HydrophobicContact CB-CB 4.18Å; L1276-M1281 HydrophobicContact CB-SD 4.46Å; L1276-M1281 HydrophobicContact CD1-SD 4.12Å; L1276-V1284 HydrophobicContact CD1-CG1 3.68Å |
| 1277 | C | 75.1 | Confident | 81.2 | Confident | 10 Ų | 10 | 43.3 Ų | 43.3 | 7% | 0.068 | 24% | 0.235 | C | C | . | . | P | Polyproline II helix | trans | -60.4 | 155.5 | 167.1 | 77.2 | 0 | 0 | 0 | 0 | 111.1 | C1222 F1224 H1232 L1279 C1280 M1281 | C1222-C1277 PolarHBondContact O-N 3.38Å; F1224-C1277 HydrophobicContact CD2-CB 4.4Å; H1232-C1277 PolarHBondContact NE2-SG 2.73Å; C1277-L1279 VanDerWaalsContact C-N 3.32Å; C1277-L1279 PolarHBondContact O-N 3.42Å; C1277-C1280 PolarHBondContact O-N 3.1Å; C1277-C1280 WeakPolarHBondContact SG-CB 3.19Å; C1277-C1280 PolarHBondContact SG-N 3.26Å; C1277-C1280 VanDerWaalsContact SG-N 3.42Å; C1277-C1280 PolarHBondContact SG-SG 3.3Å; C1277-M1281 WeakPolarHBondContact O-CB 3.39Å; C1277-M1281 PolarHBondContact O-N 2.86Å |
| 1278 | Q | 73.4 | Confident | 81.1 | Confident | 135 Ų | 135 | 43.3 Ų | 43.3 | 63% | 0.631 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -55.7 | -43.6 | -173.9 | -176 | 178.6 | -5.1 | 0 | 0 | 112.9 | M1281 Q1282 | Q1278-M1281 PolarHBondContact O-N 3.5Å; Q1278-Q1282 WeakPolarHBondContact O-CB 3.27Å; Q1278-Q1282 VanDerWaalsContact O-CG 3.26Å; Q1278-Q1282 WeakPolarHBondContact O-CG 3.23Å; Q1278-Q1282 PolarHBondContact O-N 2.96Å |
| 1279 | L | 75.3 | Confident | 80.9 | Confident | 81 Ų | 81 | 46.2 Ų | 46.2 | 42% | 0.424 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -67.7 | -44.4 | 179.4 | -63.6 | -170 | 0 | 0 | 0 | 112.1 | H1232 T1236 C1277 M1281 Q1282 E1283 | H1232-L1279 WeakPolarHBondContact CE1-CD1 3.38Å; T1236-L1279 HydrophobicContact CG2-CB 3.65Å; T1236-L1279 HydrophobicContact CG2-CD1 4.5Å; C1277-L1279 VanDerWaalsContact C-N 3.32Å; C1277-L1279 PolarHBondContact O-N 3.42Å; L1279-M1281 VanDerWaalsContact C-N 3.28Å; L1279-M1281 PolarHBondContact O-N 3.24Å; L1279-Q1282 PolarHBondContact O-N 2.92Å; L1279-E1283 WeakPolarHBondContact O-CG 3.39Å; L1279-E1283 PolarHBondContact O-N 3.28Å |
| 1280 | C | 79.1 | Confident | 80.5 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -64 | -36.9 | 176.9 | -70.3 | 0 | 0 | 0 | 0 | 111.8 | C1222 C1235 A1239 L1276 C1277 E1283 V1284 | C1222-C1280 HydrophobicContact CB-CB 4.09Å; C1235-C1280 VanDerWaalsContact C-SG 3.59Å; A1239-C1280 HydrophobicContact CB-CB 4.09Å; L1276-C1280 HydrophobicContact CB-CB 4.43Å; C1277-C1280 PolarHBondContact O-N 3.1Å; C1277-C1280 WeakPolarHBondContact SG-CB 3.19Å; C1277-C1280 PolarHBondContact SG-N 3.26Å; C1277-C1280 VanDerWaalsContact SG-N 3.42Å; C1277-C1280 PolarHBondContact SG-SG 3.3Å; C1280-E1283 PolarHBondContact O-N 3.2Å; C1280-V1284 WeakPolarHBondContact O-CB 3.17Å; C1280-V1284 WeakPolarHBondContact O-CG1 3.02Å; C1280-V1284 PolarHBondContact O-N 3.09Å |
| 1281 | M | 81.4 | Confident | 80.2 | Confident | 36 Ų | 36 | 43.9 Ų | 43.9 | 18% | 0.177 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -63.5 | -46.3 | 174.1 | -170.7 | 65.3 | 176.4 | 0 | 0 | 111.2 | F1267 L1276 C1277 Q1278 L1279 E1283 V1284 L1285 L1318 | F1267-M1281 HydrophobicContact CE1-CE 3.96Å; F1267-M1281 HydrophobicContact CE2-CE 4.47Å; F1267-M1281 HydrophobicContact CE2-SD 4.17Å; F1267-M1281 HydrophobicContact CZ-CE 3.46Å; F1267-M1281 VanDerWaalsContact CZ-CE 3.46Å; F1267-M1281 HydrophobicContact CZ-SD 3.62Å; L1276-M1281 HydrophobicContact CB-CB 4.18Å; L1276-M1281 HydrophobicContact CB-SD 4.46Å; L1276-M1281 HydrophobicContact CD1-SD 4.12Å; C1277-M1281 WeakPolarHBondContact O-CB 3.39Å; C1277-M1281 PolarHBondContact O-N 2.86Å; Q1278-M1281 PolarHBondContact O-N 3.5Å; L1279-M1281 VanDerWaalsContact C-N 3.28Å; L1279-M1281 PolarHBondContact O-N 3.24Å; M1281-E1283 VanDerWaalsContact C-N 3.28Å; M1281-E1283 PolarHBondContact O-N 2.94Å; M1281-V1284 PolarHBondContact O-N 2.92Å; M1281-L1285 HydrophobicContact CE-CD1 4.23Å; M1281-L1285 WeakPolarHBondContact O-CB 3.4Å; M1281-L1285 PolarHBondContact O-N 3.04Å; M1281-L1318 HydrophobicContact CE-CD1 3.55Å; M1281-L1318 HydrophobicContact CE-CD2 3.77Å; M1281-L1318 HydrophobicContact CE-CG 4.35Å |
| 1282 | Q | 77.9 | Confident | 80.1 | Confident | 105 Ų | 105 | 44.8 Ų | 44.8 | 49% | 0.491 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -60.8 | -37.4 | 176.3 | -77 | 173.8 | -15.5 | 0 | 0 | 112.2 | Q1278 L1279 P1286 | Q1278-Q1282 WeakPolarHBondContact O-CB 3.27Å; Q1278-Q1282 VanDerWaalsContact O-CG 3.26Å; Q1278-Q1282 WeakPolarHBondContact O-CG 3.23Å; Q1278-Q1282 PolarHBondContact O-N 2.96Å; L1279-Q1282 PolarHBondContact O-N 2.92Å; Q1282-P1286 WeakPolarHBondContact O-CD 3.49Å |
| 1283 | E | 81.7 | Confident | 79.8 | Confident | 66 Ų | 66 | 51.1 Ų | 51.1 | 31% | 0.308 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -73.4 | -41.1 | 178.1 | -74.6 | -55 | 150.6 | 0 | 0 | 113.2 | A1239 R1243 L1279 C1280 M1281 | A1239-E1283 HydrophobicContact CB-CB 4.04Å; R1243-E1283 WeakPolarHBondContact CB-O 2.94Å; R1243-E1283 WeakPolarHBondContact CD-O 3.02Å; R1243-E1283 IonicContact NH1-OE2 3.62Å; L1279-E1283 WeakPolarHBondContact O-CG 3.39Å; L1279-E1283 PolarHBondContact O-N 3.28Å; C1280-E1283 PolarHBondContact O-N 3.2Å; M1281-E1283 VanDerWaalsContact C-N 3.28Å; M1281-E1283 PolarHBondContact O-N 2.94Å |
| 1284 | V | 85.4 | Confident | 79.5 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -86.5 | -34 | -173.9 | 82.8 | 0 | 0 | 0 | 0 | 113.6 | L1218 A1239 M1242 L1246 F1267 L1276 C1280 M1281 P1286 G1287 Y1288 | L1218-V1284 HydrophobicContact CD2-CG2 4.03Å; A1239-V1284 HydrophobicContact CB-CB 4.33Å; M1242-V1284 HydrophobicContact CB-CG2 4.08Å; M1242-V1284 HydrophobicContact CG-CG2 3.95Å; L1246-V1284 HydrophobicContact CD1-CG2 4.38Å; F1267-V1284 HydrophobicContact CE2-CG1 4.04Å; F1267-V1284 HydrophobicContact CZ-CG1 4.39Å; L1276-V1284 HydrophobicContact CD1-CG1 3.68Å; C1280-V1284 WeakPolarHBondContact O-CB 3.17Å; C1280-V1284 WeakPolarHBondContact O-CG1 3.02Å; C1280-V1284 PolarHBondContact O-N 3.09Å; M1281-V1284 PolarHBondContact O-N 2.92Å; V1284-P1286 VanDerWaalsContact C-CD 3.44Å; V1284-G1287 PolarHBondContact O-N 3.39Å; V1284-Y1288 HydrophobicContact CB-CE2 4.29Å; V1284-Y1288 HydrophobicContact CG1-CD2 4.25Å; V1284-Y1288 HydrophobicContact CG1-CE2 3.92Å; V1284-Y1288 HydrophobicContact CG2-CD2 4.12Å; V1284-Y1288 HydrophobicContact CG2-CE2 3.51Å |
| 1285 | L | 83.6 | Confident | 79.6 | Confident | 33 Ų | 33 | 46 Ų | 46 | 17% | 0.173 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -54.4 | -41.1 | -173.9 | 179.3 | 64.4 | 0 | 0 | 0 | 113.8 | F1267 M1281 G1287 Y1288 L1289 L1318 | F1267-L1285 HydrophobicContact CE1-CD1 4.05Å; F1267-L1285 HydrophobicContact CZ-CD1 4.33Å; M1281-L1285 HydrophobicContact CE-CD1 4.23Å; M1281-L1285 WeakPolarHBondContact O-CB 3.4Å; M1281-L1285 PolarHBondContact O-N 3.04Å; L1285-G1287 PolarHBondContact O-N 3.21Å; L1285-Y1288 PolarHBondContact O-N 3.19Å; L1285-Y1288 VanDerWaalsContact O-N 3.09Å; L1285-L1289 HydrophobicContact CD1-CG 4.23Å; L1285-L1289 HydrophobicContact CG-CD1 4.04Å; L1285-L1289 HydrophobicContact CG-CG 4.18Å; L1285-L1289 WeakPolarHBondContact O-CG 3.38Å; L1285-L1289 PolarHBondContact O-N 3.05Å; L1285-L1318 HydrophobicContact CD1-CD2 4.37Å; L1285-L1318 HydrophobicContact CD2-CD2 4.22Å |
| 1286 | P | 84.1 | Confident | 79.6 | Confident | 39 Ų | 39 | 45.1 Ų | 45.1 | 25% | 0.253 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -56.6 | -33.4 | 176 | -26.3 | 35 | 0 | 0 | 0 | 113.8 | Q1282 V1284 E1290 | Q1282-P1286 WeakPolarHBondContact O-CD 3.49Å; V1284-P1286 VanDerWaalsContact C-CD 3.44Å; P1286-E1290 PolarHBondContact O-N 3.32Å; P1286-E1290 VanDerWaalsContact O-N 3.12Å |
| 1287 | G | 83 | Confident | 79.4 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -66.8 | -42.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | V1284 L1285 E1290 L1291 | V1284-G1287 PolarHBondContact O-N 3.39Å; L1285-G1287 PolarHBondContact O-N 3.21Å; G1287-E1290 PolarHBondContact O-N 3.2Å; G1287-L1291 PolarHBondContact O-N 3.07Å |
| 1288 | Y | 86.9 | Confident | 79.2 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -69.8 | -35.3 | 175.9 | -69 | -77.1 | 0 | 0 | 0 | 113 | Q1215 L1246 V1263 V1264 F1267 V1284 L1285 E1290 L1291 H1292 | Q1215-Y1288 VanDerWaalsContact CG-OH 3.23Å; Q1215-Y1288 WeakPolarHBondContact CG-OH 3.39Å; Q1215-Y1288 PolarHBondContact OE1-OH 3.26Å; L1246-Y1288 HydrophobicContact CD1-CD1 3.92Å; L1246-Y1288 HydrophobicContact CD1-CD2 3.8Å; L1246-Y1288 HydrophobicContact CD1-CE1 3.73Å; L1246-Y1288 HydrophobicContact CD1-CE2 3.62Å; L1246-Y1288 HydrophobicContact CD1-CG 3.94Å; L1246-Y1288 HydrophobicContact CD2-CE1 4.27Å; V1263-Y1288 HydrophobicContact CG1-CE1 4.05Å; V1264-Y1288 HydrophobicContact CG2-CD1 4.14Å; F1267-Y1288 HydrophobicContact CB-CD1 3.91Å; F1267-Y1288 HydrophobicContact CB-CE1 3.59Å; F1267-Y1288 HydrophobicContact CB-CE2 4.47Å; F1267-Y1288 HydrophobicContact CB-CG 4.5Å; F1267-Y1288 HydrophobicContact CD1-CD1 4.18Å; F1267-Y1288 HydrophobicContact CD1-CD2 4.07Å; F1267-Y1288 HydrophobicContact CD1-CE2 4.39Å; F1267-Y1288 AromaticContact CD1-CG 3.96Å; F1267-Y1288 HydrophobicContact CD1-CG 3.96Å; F1267-Y1288 HydrophobicContact CD2-CD1 4.38Å; F1267-Y1288 AromaticContact CD2-CD2 3.79Å; F1267-Y1288 HydrophobicContact CD2-CD2 3.79Å; F1267-Y1288 AromaticContact CD2-CE1 3.98Å; F1267-Y1288 HydrophobicContact CD2-CE1 3.98Å; F1267-Y1288 AromaticContact CD2-CE2 3.31Å; F1267-Y1288 HydrophobicContact CD2-CE2 3.31Å; F1267-Y1288 HydrophobicContact CD2-CG 4.3Å; F1267-Y1288 AromaticContact CD2-CZ 3.43Å; F1267-Y1288 VanDerWaalsContact CD2-CZ 3.43Å; F1267-Y1288 HydrophobicContact CE1-CD2 4Å; F1267-Y1288 HydrophobicContact CE1-CE2 4.48Å; F1267-Y1288 HydrophobicContact CE1-CG 4.2Å; F1267-Y1288 AromaticContact CE2-CD2 3.74Å; F1267-Y1288 HydrophobicContact CE2-CD2 3.74Å; F1267-Y1288 AromaticContact CE2-CE2 3.45Å; F1267-Y1288 HydrophobicContact CE2-CE2 3.45Å; F1267-Y1288 VanDerWaalsContact CE2-CE2 3.45Å; F1267-Y1288 AromaticContact CG-CD1 3.9Å; F1267-Y1288 HydrophobicContact CG-CD1 3.9Å; F1267-Y1288 AromaticContact CG-CD2 3.95Å; F1267-Y1288 HydrophobicContact CG-CD2 3.95Å; F1267-Y1288 AromaticContact CG-CE1 3.78Å; F1267-Y1288 HydrophobicContact CG-CE1 3.78Å; F1267-Y1288 AromaticContact CG-CE2 3.81Å; F1267-Y1288 HydrophobicContact CG-CE2 3.81Å; F1267-Y1288 AromaticContact CG-CG 3.99Å; F1267-Y1288 HydrophobicContact CG-CG 3.99Å; F1267-Y1288 AromaticContact CG-CZ 3.74Å; F1267-Y1288 AromaticContact CZ-CD2 3.82Å; F1267-Y1288 HydrophobicContact CZ-CD2 3.82Å; F1267-Y1288 HydrophobicContact CZ-CE2 4.03Å; F1267-Y1288 HydrophobicContact CZ-CG 4.47Å; V1284-Y1288 HydrophobicContact CB-CE2 4.29Å; V1284-Y1288 HydrophobicContact CG1-CD2 4.25Å; V1284-Y1288 HydrophobicContact CG1-CE2 3.92Å; V1284-Y1288 HydrophobicContact CG2-CD2 4.12Å; V1284-Y1288 HydrophobicContact CG2-CE2 3.51Å; L1285-Y1288 PolarHBondContact O-N 3.19Å; L1285-Y1288 VanDerWaalsContact O-N 3.09Å; Y1288-E1290 VanDerWaalsContact C-N 3.3Å; Y1288-L1291 WeakPolarHBondContact O-CB 3.45Å; Y1288-L1291 PolarHBondContact O-N 2.96Å; Y1288-H1292 WeakPolarHBondContact O-CB 3.37Å; Y1288-H1292 PolarHBondContact O-N 2.97Å |
| 1289 | L | 82.7 | Confident | 79.3 | Confident | 60 Ų | 60 | 48 Ų | 48 | 31% | 0.314 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -61.6 | -41.8 | 174.4 | -73.3 | 172.2 | 0 | 0 | 0 | 111 | L1285 H1292 R1293 F1319 | L1285-L1289 HydrophobicContact CD1-CG 4.23Å; L1285-L1289 HydrophobicContact CG-CD1 4.04Å; L1285-L1289 HydrophobicContact CG-CG 4.18Å; L1285-L1289 WeakPolarHBondContact O-CG 3.38Å; L1285-L1289 PolarHBondContact O-N 3.05Å; L1289-H1292 PolarHBondContact O-N 2.75Å; L1289-R1293 WeakPolarHBondContact O-CG 3.43Å; L1289-R1293 PolarHBondContact O-N 3.18Å; L1289-R1293 VanDerWaalsContact O-N 3.12Å; L1289-F1319 HydrophobicContact CD2-CD1 3.75Å; L1289-F1319 HydrophobicContact CD2-CE1 3.96Å; L1289-F1319 HydrophobicContact CG-CE1 4.48Å |
| 1290 | E | 79.7 | Confident | 79.3 | Confident | 61 Ų | 61 | 46.6 Ų | 46.6 | 29% | 0.285 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -66.9 | -39.4 | 176.4 | -160.4 | 60.4 | -158.9 | 0 | 0 | 111.8 | I1247 A1250 P1286 G1287 Y1288 H1292 R1293 C1294 | I1247-E1290 HydrophobicContact CG1-CB 4.41Å; A1250-E1290 HydrophobicContact CB-CB 4.37Å; A1250-E1290 HydrophobicContact CB-CG 3.94Å; P1286-E1290 PolarHBondContact O-N 3.32Å; P1286-E1290 VanDerWaalsContact O-N 3.12Å; G1287-E1290 PolarHBondContact O-N 3.2Å; Y1288-E1290 VanDerWaalsContact C-N 3.3Å; E1290-H1292 PolarHBondContact O-N 3.07Å; E1290-R1293 WeakPolarHBondContact O-CB 3.4Å; E1290-R1293 PolarHBondContact O-N 2.61Å; E1290-R1293 IonicContact OE2-CZ 2.98Å; E1290-R1293 IonicContact OE2-NE 3.37Å; E1290-R1293 IonicContact OE2-NH1 3.9Å; E1290-R1293 PolarHBondContact OE2-NH1 2.97Å; E1290-C1294 PolarHBondContact O-SG 3.4Å; E1290-C1294 VanDerWaalsContact O-SG 3.34Å |
| 1291 | L | 80.3 | Confident | 79 | Confident | 3 Ų | 3 | 49.7 Ų | 49.7 | 2% | 0.016 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.3 | -42.7 | 174.2 | -152.3 | 95.7 | 0 | 0 | 0 | 112 | L1246 V1249 A1250 A1260 V1263 V1264 G1287 Y1288 R1293 C1294 F1295 | L1246-L1291 HydrophobicContact CD2-CD1 4.28Å; V1249-L1291 HydrophobicContact CB-CD1 4.07Å; V1249-L1291 HydrophobicContact CG1-CD1 3.84Å; A1250-L1291 HydrophobicContact CB-CD1 4.45Å; A1260-L1291 HydrophobicContact CB-CD1 4.29Å; A1260-L1291 HydrophobicContact CB-CD2 3.49Å; A1260-L1291 VanDerWaalsContact CB-CD2 3.49Å; A1260-L1291 HydrophobicContact CB-CG 3.66Å; A1260-L1291 WeakPolarHBondContact O-CD2 3.26Å; V1263-L1291 HydrophobicContact CB-CD2 4.08Å; V1263-L1291 HydrophobicContact CG1-CD2 4.16Å; V1264-L1291 HydrophobicContact CG2-CD2 3.9Å; G1287-L1291 PolarHBondContact O-N 3.07Å; Y1288-L1291 WeakPolarHBondContact O-CB 3.45Å; Y1288-L1291 PolarHBondContact O-N 2.96Å; L1291-R1293 VanDerWaalsContact C-N 3.33Å; L1291-R1293 PolarHBondContact O-N 3.4Å; L1291-C1294 VanDerWaalsContact O-CB 3.3Å; L1291-C1294 WeakPolarHBondContact O-CB 3.18Å; L1291-C1294 PolarHBondContact O-N 2.88Å; L1291-C1294 VanDerWaalsContact O-N 3.13Å; L1291-F1295 WeakPolarHBondContact O-CD1 3.11Å; L1291-F1295 VanDerWaalsContact O-CE1 3.26Å; L1291-F1295 WeakPolarHBondContact O-CE1 3.32Å |
| 1292 | H | 82.9 | Confident | 78.6 | Confident | 30 Ų | 30 | 49.9 Ų | 49.9 | 14% | 0.139 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.7 | -35 | 178.9 | -179.6 | -91.4 | 0 | 0 | 0 | 113 | Y1288 L1289 E1290 C1294 F1295 Y1315 F1319 | Y1288-H1292 WeakPolarHBondContact O-CB 3.37Å; Y1288-H1292 PolarHBondContact O-N 2.97Å; L1289-H1292 PolarHBondContact O-N 2.75Å; E1290-H1292 PolarHBondContact O-N 3.07Å; H1292-C1294 PolarHBondContact O-N 2.86Å; H1292-C1294 VanDerWaalsContact O-N 3.11Å; H1292-F1295 HydrophobicContact CB-CE2 4.28Å; H1292-F1295 HydrophobicContact CB-CZ 4.43Å; H1292-F1295 AromaticContact CD2-CD2 3.55Å; H1292-F1295 AromaticContact CD2-CE2 3.41Å; H1292-F1295 VanDerWaalsContact CD2-CE2 3.41Å; H1292-F1295 WeakPolarHBondContact CD2-CE2 3.33Å; H1292-F1295 WeakPolarHBondContact O-CB 3.2Å; H1292-F1295 VanDerWaalsContact O-CG 3.27Å; H1292-F1295 WeakPolarHBondContact O-CG 3.48Å; H1292-F1295 PolarHBondContact O-N 3.19Å; H1292-F1295 VanDerWaalsContact O-N 3.08Å; H1292-Y1315 AromaticContact CD2-CE2 3.87Å; H1292-Y1315 AromaticContact NE2-CE2 3.65Å; H1292-Y1315 AromaticContact NE2-CZ 3.59Å; H1292-Y1315 PolarHBondContact NE2-OH 3.15Å; H1292-F1319 HydrophobicContact CB-CD1 3.58Å; H1292-F1319 HydrophobicContact CB-CE1 3.74Å; H1292-F1319 AromaticContact CD2-CD1 3.65Å; H1292-F1319 AromaticContact CD2-CG 3.89Å; H1292-F1319 AromaticContact CG-CD1 3.46Å; H1292-F1319 VanDerWaalsContact CG-CD1 3.46Å; H1292-F1319 AromaticContact ND1-CD1 3.99Å |
| 1293 | R | 74.8 | Confident | 78.6 | Confident | 183 Ų | 183 | 45 Ų | 45 | 69% | 0.691 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -59.9 | -21.2 | 174.6 | -74 | 170.6 | 176.6 | 178.9 | -6.8 | 113.3 | L1289 E1290 L1291 F1295 | L1289-R1293 WeakPolarHBondContact O-CG 3.43Å; L1289-R1293 PolarHBondContact O-N 3.18Å; L1289-R1293 VanDerWaalsContact O-N 3.12Å; E1290-R1293 WeakPolarHBondContact O-CB 3.4Å; E1290-R1293 PolarHBondContact O-N 2.61Å; E1290-R1293 IonicContact OE2-CZ 2.98Å; E1290-R1293 IonicContact OE2-NE 3.37Å; E1290-R1293 IonicContact OE2-NH1 3.9Å; E1290-R1293 PolarHBondContact OE2-NH1 2.97Å; L1291-R1293 VanDerWaalsContact C-N 3.33Å; L1291-R1293 PolarHBondContact O-N 3.4Å; R1293-F1295 VanDerWaalsContact C-N 3.28Å; R1293-F1295 PolarHBondContact O-N 2.83Å |
| 1294 | C | 74.3 | Confident | 78.1 | Confident | 19 Ų | 19 | 44 Ų | 44 | 13% | 0.128 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | -0.5 | -179.9 | -54.6 | 0 | 0 | 0 | 0 | 113.2 | A1257 E1290 L1291 H1292 | A1257-C1294 VanDerWaalsContact CB-O 3.29Å; A1257-C1294 WeakPolarHBondContact CB-O 3.38Å; E1290-C1294 PolarHBondContact O-SG 3.4Å; E1290-C1294 VanDerWaalsContact O-SG 3.34Å; L1291-C1294 VanDerWaalsContact O-CB 3.3Å; L1291-C1294 WeakPolarHBondContact O-CB 3.18Å; L1291-C1294 PolarHBondContact O-N 2.88Å; L1291-C1294 VanDerWaalsContact O-N 3.13Å; H1292-C1294 PolarHBondContact O-N 2.86Å; H1292-C1294 VanDerWaalsContact O-N 3.11Å |
| 1295 | F | 76.7 | Confident | 77.5 | Confident | 20 Ų | 20 | 48.6 Ų | 48.6 | 9% | 0.088 | 26% | 0.259 | C | S | . | . | trans | -76 | 130 | -173 | -67.3 | -0.2 | 0 | 0 | 0 | 112.3 | A1260 A1261 V1264 L1291 H1292 R1293 I1300 L1303 | A1260-F1295 VanDerWaalsContact C-CE1 3.45Å; A1260-F1295 HydrophobicContact CB-CD1 4.37Å; A1260-F1295 HydrophobicContact CB-CE1 3.62Å; A1260-F1295 WeakPolarHBondContact O-CZ 3.18Å; A1261-F1295 VanDerWaalsContact CA-CZ 3.41Å; A1261-F1295 HydrophobicContact CB-CE1 4.42Å; A1261-F1295 HydrophobicContact CB-CE2 4.36Å; A1261-F1295 HydrophobicContact CB-CZ 4.21Å; V1264-F1295 HydrophobicContact CB-CE2 4.12Å; V1264-F1295 HydrophobicContact CB-CZ 3.76Å; V1264-F1295 HydrophobicContact CG1-CE2 4.29Å; V1264-F1295 HydrophobicContact CG1-CZ 4.39Å; V1264-F1295 HydrophobicContact CG2-CE2 4.23Å; V1264-F1295 HydrophobicContact CG2-CZ 3.56Å; L1291-F1295 WeakPolarHBondContact O-CD1 3.11Å; L1291-F1295 VanDerWaalsContact O-CE1 3.26Å; L1291-F1295 WeakPolarHBondContact O-CE1 3.32Å; H1292-F1295 HydrophobicContact CB-CE2 4.28Å; H1292-F1295 HydrophobicContact CB-CZ 4.43Å; H1292-F1295 AromaticContact CD2-CD2 3.55Å; H1292-F1295 AromaticContact CD2-CE2 3.41Å; H1292-F1295 VanDerWaalsContact CD2-CE2 3.41Å; H1292-F1295 WeakPolarHBondContact CD2-CE2 3.33Å; H1292-F1295 WeakPolarHBondContact O-CB 3.2Å; H1292-F1295 VanDerWaalsContact O-CG 3.27Å; H1292-F1295 WeakPolarHBondContact O-CG 3.48Å; H1292-F1295 PolarHBondContact O-N 3.19Å; H1292-F1295 VanDerWaalsContact O-N 3.08Å; R1293-F1295 VanDerWaalsContact C-N 3.28Å; R1293-F1295 PolarHBondContact O-N 2.83Å; F1295-I1300 HydrophobicContact CB-CD1 4.39Å; F1295-I1300 HydrophobicContact CB-CG1 3.86Å; F1295-I1300 HydrophobicContact CD2-CG1 4.47Å; F1295-L1303 HydrophobicContact CD2-CD1 3.66Å; F1295-L1303 HydrophobicContact CE2-CD1 3.29Å; F1295-L1303 HydrophobicContact CZ-CD1 4.33Å | ||
| 1296 | D | 75.2 | Confident | 76.9 | Confident | 56 Ų | 56 | 51.6 Ų | 51.6 | 30% | 0.299 | 28% | 0.275 | S | S | . | . | trans | -79 | 165.7 | 167.2 | 67.8 | 3.4 | 0 | 0 | 0 | 111.2 | P1298 S1299 I1300 | D1296-P1298 VanDerWaalsContact C-N 3.34Å; D1296-S1299 WeakPolarHBondContact O-CB 3.3Å; D1296-S1299 PolarHBondContact O-N 2.91Å; D1296-S1299 WeakPolarHBondContact OD1-CB 3.19Å; D1296-S1299 PolarHBondContact OD1-N 2.7Å; D1296-S1299 PolarHBondContact OD1-OG 3.33Å; D1296-I1300 PolarHBondContact O-N 2.97Å; D1296-I1300 VanDerWaalsContact O-N 3.12Å | ||
| 1297 | I | 73.4 | Confident | 76.6 | Confident | 145 Ų | 145 | 50 Ų | 50 | 74% | 0.744 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -53.3 | -45.3 | 179.9 | -63.9 | 170.3 | 0 | 0 | 0 | 112 | S1299 I1300 S1301 | I1297-S1299 VanDerWaalsContact C-N 3.34Å; I1297-S1299 PolarHBondContact O-N 3.03Å; I1297-I1300 PolarHBondContact O-N 3.47Å; I1297-S1301 PolarHBondContact O-N 2.82Å |
| 1298 | P | 71.4 | Confident | 76.3 | Confident | 69 Ų | 69 | 54.9 Ų | 54.9 | 45% | 0.448 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -55.7 | -42.5 | 173.7 | -27 | 34.6 | 0 | 0 | 0 | 114.1 | D1296 I1300 S1301 M1302 | D1296-P1298 VanDerWaalsContact C-N 3.34Å; P1298-I1300 PolarHBondContact O-N 3.29Å; P1298-S1301 PolarHBondContact O-N 2.64Å; P1298-M1302 WeakPolarHBondContact O-CB 3.48Å; P1298-M1302 PolarHBondContact O-N 3.03Å |
| 1299 | S | 76.4 | Confident | 76.1 | Confident | 3 Ų | 3 | 57.3 Ų | 57.3 | 2% | 0.021 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -64.2 | -40.7 | 179.4 | -62.1 | 0 | 0 | 0 | 0 | 112.3 | A1257 R1258 D1296 I1297 M1302 L1303 | A1257-S1299 PolarHBondContact O-OG 3.17Å; R1258-S1299 WeakPolarHBondContact CA-OG 3.33Å; D1296-S1299 WeakPolarHBondContact O-CB 3.3Å; D1296-S1299 PolarHBondContact O-N 2.91Å; D1296-S1299 WeakPolarHBondContact OD1-CB 3.19Å; D1296-S1299 PolarHBondContact OD1-N 2.7Å; D1296-S1299 PolarHBondContact OD1-OG 3.33Å; I1297-S1299 VanDerWaalsContact C-N 3.34Å; I1297-S1299 PolarHBondContact O-N 3.03Å; S1299-M1302 WeakPolarHBondContact O-CB 3.29Å; S1299-M1302 PolarHBondContact O-N 3.1Å; S1299-L1303 PolarHBondContact O-N 3.19Å; S1299-L1303 VanDerWaalsContact O-N 3.1Å |
| 1300 | I | 75.6 | Confident | 75.8 | Confident | 50 Ų | 50 | 57.8 Ų | 57.8 | 26% | 0.256 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -66.4 | -41.8 | 175.8 | -61.9 | 174.2 | 0 | 0 | 0 | 110.7 | F1295 D1296 I1297 P1298 M1302 L1303 S1304 F1326 | F1295-I1300 HydrophobicContact CB-CD1 4.39Å; F1295-I1300 HydrophobicContact CB-CG1 3.86Å; F1295-I1300 HydrophobicContact CD2-CG1 4.47Å; D1296-I1300 PolarHBondContact O-N 2.97Å; D1296-I1300 VanDerWaalsContact O-N 3.12Å; I1297-I1300 PolarHBondContact O-N 3.47Å; P1298-I1300 PolarHBondContact O-N 3.29Å; I1300-M1302 VanDerWaalsContact C-N 3.31Å; I1300-M1302 PolarHBondContact O-N 3.12Å; I1300-L1303 PolarHBondContact O-N 2.8Å; I1300-S1304 PolarHBondContact O-N 3.24Å; I1300-F1326 HydrophobicContact CG2-CE2 3.89Å; I1300-F1326 HydrophobicContact CG2-CZ 4.48Å |
| 1301 | S | 71.2 | Confident | 76 | Confident | 66 Ų | 66 | 57.9 Ų | 57.9 | 46% | 0.462 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -64.8 | -33.8 | 175.7 | 179.7 | 0 | 0 | 0 | 0 | 112.6 | I1297 P1298 S1304 T1305 | I1297-S1301 PolarHBondContact O-N 2.82Å; P1298-S1301 PolarHBondContact O-N 2.64Å; S1301-S1304 PolarHBondContact O-N 2.91Å; S1301-S1304 PolarHBondContact O-OG 3.1Å; S1301-T1305 PolarHBondContact O-N 2.68Å; S1301-T1305 PolarHBondContact O-OG1 3.29Å |
| 1302 | M | 74.1 | Confident | 75.9 | Confident | 40 Ų | 40 | 59 Ų | 59 | 20% | 0.197 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -66.4 | -39.4 | 172.9 | -166.6 | -170 | 91.7 | 0 | 0 | 111.8 | A1261 Y1262 P1298 S1299 I1300 T1305 N1306 | A1261-M1302 HydrophobicContact CB-CE 4.04Å; Y1262-M1302 HydrophobicContact CD1-CE 3.65Å; Y1262-M1302 HydrophobicContact CD2-CE 3.88Å; Y1262-M1302 HydrophobicContact CE1-CE 3.38Å; Y1262-M1302 HydrophobicContact CE1-SD 4Å; Y1262-M1302 HydrophobicContact CE2-CE 3.63Å; Y1262-M1302 HydrophobicContact CE2-SD 3.93Å; Y1262-M1302 HydrophobicContact CG-CE 3.9Å; Y1262-M1302 VanDerWaalsContact CZ-SD 3.51Å; Y1262-M1302 PolarHBondContact OH-SD 2.95Å; Y1262-M1302 VanDerWaalsContact OH-SD 3.38Å; P1298-M1302 WeakPolarHBondContact O-CB 3.48Å; P1298-M1302 PolarHBondContact O-N 3.03Å; S1299-M1302 WeakPolarHBondContact O-CB 3.29Å; S1299-M1302 PolarHBondContact O-N 3.1Å; I1300-M1302 VanDerWaalsContact C-N 3.31Å; I1300-M1302 PolarHBondContact O-N 3.12Å; M1302-T1305 PolarHBondContact O-N 3.14Å; M1302-T1305 PolarHBondContact O-OG1 3.44Å; M1302-N1306 WeakPolarHBondContact O-CB 3.41Å; M1302-N1306 PolarHBondContact O-N 3.15Å; M1302-N1306 VanDerWaalsContact O-N 3.15Å; M1302-N1306 PolarHBondContact O-ND2 3.49Å |
| 1303 | L | 77.4 | Confident | 75.6 | Confident | 1 Ų | 1 | 62.8 Ų | 62.8 | 1% | 0.005 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -67.1 | -38.9 | 175.2 | -79.3 | 163.8 | 0 | 0 | 0 | 112.4 | A1261 A1265 F1295 S1299 I1300 T1305 N1306 L1307 Y1315 | A1261-L1303 HydrophobicContact CB-CD1 4.3Å; A1261-L1303 HydrophobicContact CB-CG 4.46Å; A1265-L1303 HydrophobicContact CB-CD2 3.54Å; F1295-L1303 HydrophobicContact CD2-CD1 3.66Å; F1295-L1303 HydrophobicContact CE2-CD1 3.29Å; F1295-L1303 HydrophobicContact CZ-CD1 4.33Å; S1299-L1303 PolarHBondContact O-N 3.19Å; S1299-L1303 VanDerWaalsContact O-N 3.1Å; I1300-L1303 PolarHBondContact O-N 2.8Å; L1303-T1305 PolarHBondContact O-N 3.37Å; L1303-N1306 PolarHBondContact O-N 3.31Å; L1303-L1307 HydrophobicContact CD2-CD1 3.94Å; L1303-L1307 HydrophobicContact CD2-CG 4.38Å; L1303-L1307 WeakPolarHBondContact O-CB 3.42Å; L1303-L1307 WeakPolarHBondContact O-CG 3.21Å; L1303-L1307 PolarHBondContact O-N 3.31Å; L1303-Y1315 HydrophobicContact CD1-CE2 4.13Å |
| 1304 | S | 70.8 | Confident | 75.8 | Confident | 47 Ų | 47 | 56.2 Ų | 56.2 | 33% | 0.329 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -64 | -31.9 | 179.1 | 73.5 | 0 | 0 | 0 | 0 | 113 | I1300 S1301 | I1300-S1304 PolarHBondContact O-N 3.24Å; S1301-S1304 PolarHBondContact O-N 2.91Å; S1301-S1304 PolarHBondContact O-OG 3.1Å |
| 1305 | T | 72.7 | Confident | 76.2 | Confident | 95 Ų | 95 | 55.4 Ų | 55.4 | 58% | 0.583 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -83.6 | -32.6 | -180 | 45.7 | 0 | 0 | 0 | 0 | 112.7 | S1301 M1302 L1303 | S1301-T1305 PolarHBondContact O-N 2.68Å; S1301-T1305 PolarHBondContact O-OG1 3.29Å; M1302-T1305 PolarHBondContact O-N 3.14Å; M1302-T1305 PolarHBondContact O-OG1 3.44Å; L1303-T1305 PolarHBondContact O-N 3.37Å |
| 1306 | N | 71 | Confident | 76.2 | Confident | 96 Ų | 96 | 54.5 Ų | 54.5 | 51% | 0.513 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -89.4 | -24.6 | -176.3 | -71.8 | -26 | 0 | 0 | 0 | 114.7 | M1302 L1303 | M1302-N1306 WeakPolarHBondContact O-CB 3.41Å; M1302-N1306 PolarHBondContact O-N 3.15Å; M1302-N1306 VanDerWaalsContact O-N 3.15Å; M1302-N1306 PolarHBondContact O-ND2 3.49Å; L1303-N1306 PolarHBondContact O-N 3.31Å |
| 1307 | L | 79 | Confident | 76.3 | Confident | 6 Ų | 6 | 56.4 Ų | 56.4 | 3% | 0.031 | 34% | 0.338 | C | S | . | . | trans | -94.1 | 120.5 | 179.6 | -59.9 | 178.1 | 0 | 0 | 0 | 110.5 | I1268 L1303 K1311 L1312 Y1315 | I1268-L1307 HydrophobicContact CG2-CD1 4.33Å; I1268-L1307 HydrophobicContact CG2-CD2 4.15Å; L1303-L1307 HydrophobicContact CD2-CD1 3.94Å; L1303-L1307 HydrophobicContact CD2-CG 4.38Å; L1303-L1307 WeakPolarHBondContact O-CB 3.42Å; L1303-L1307 WeakPolarHBondContact O-CG 3.21Å; L1303-L1307 PolarHBondContact O-N 3.31Å; L1307-K1311 HydrophobicContact CB-CB 4.39Å; L1307-K1311 HydrophobicContact CD2-CB 4.11Å; L1307-K1311 HydrophobicContact CD2-CD 4.37Å; L1307-L1312 HydrophobicContact CB-CB 4.35Å; L1307-L1312 HydrophobicContact CB-CD1 4.24Å; L1307-Y1315 HydrophobicContact CD1-CD1 4.31Å; L1307-Y1315 HydrophobicContact CD1-CD2 3.96Å; L1307-Y1315 HydrophobicContact CD1-CG 3.71Å | ||
| 1308 | T | 77 | Confident | 76.5 | Confident | 102 Ų | 102 | 51.3 Ų | 51.3 | 63% | 0.626 | 31% | 0.312 | S | S | * | . | trans | -125 | 156.2 | 179 | 58.9 | 0 | 0 | 0 | 0 | 111.8 | A1310 K1311 | T1308-A1310 PolarHBondContact O-N 2.68Å; T1308-K1311 PolarHBondContact O-N 2.89Å | ||
| 1309 | G | 81.7 | Confident | 76.8 | Confident | 52 Ų | 52 | 49.3 Ų | 49.3 | 54% | 0.536 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.3 | -129.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | K1311 L1312 E1313 | G1309-K1311 PolarHBondContact O-N 3.3Å; G1309-L1312 PolarHBondContact O-N 3.02Å; G1309-E1313 PolarHBondContact O-N 3.22Å |
| 1310 | A | 77.5 | Confident | 76.3 | Confident | 70 Ų | 70 | 51.1 Ų | 51.1 | 58% | 0.579 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -60.1 | -30 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | T1308 E1313 L1314 | T1308-A1310 PolarHBondContact O-N 2.68Å; A1310-E1313 PolarHBondContact O-N 3.45Å; A1310-L1314 WeakPolarHBondContact O-CB 3.27Å; A1310-L1314 PolarHBondContact O-N 3.2Å |
| 1311 | K | 83.2 | Confident | 75.2 | Confident | 62 Ų | 62 | 51.6 Ų | 51.6 | 27% | 0.27 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -65.8 | -43.8 | 176.8 | -60.3 | -172.7 | -168.4 | -176.5 | 0 | 111.5 | I1268 H1269 C1272 L1307 T1308 G1309 E1313 L1314 Y1315 | I1268-K1311 HydrophobicContact CG2-CB 3.94Å; I1268-K1311 WeakPolarHBondContact CG2-O 3.33Å; H1269-K1311 HydrophobicContact CB-CD 4.4Å; H1269-K1311 PolarHBondContact CE1-NZ 3.38Å; H1269-K1311 VanDerWaalsContact CG-NZ 3.26Å; H1269-K1311 WeakPolarHBondContact ND1-CE 3.35Å; H1269-K1311 PolarHBondContact ND1-NZ 2.85Å; H1269-K1311 PolarHBondContact NE2-NZ 3.08Å; C1272-K1311 HydrophobicContact CB-CG 4.32Å; L1307-K1311 HydrophobicContact CB-CB 4.39Å; L1307-K1311 HydrophobicContact CD2-CB 4.11Å; L1307-K1311 HydrophobicContact CD2-CD 4.37Å; T1308-K1311 PolarHBondContact O-N 2.89Å; G1309-K1311 PolarHBondContact O-N 3.3Å; K1311-E1313 VanDerWaalsContact C-N 3.27Å; K1311-E1313 PolarHBondContact O-N 2.95Å; K1311-L1314 PolarHBondContact O-N 2.92Å; K1311-Y1315 WeakPolarHBondContact O-CB 3.32Å; K1311-Y1315 PolarHBondContact O-N 2.83Å |
| 1312 | L | 78.2 | Confident | 74 | Confident | 27 Ų | 27 | 49.9 Ų | 49.9 | 14% | 0.141 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -64.3 | -37.8 | 177.7 | -174.9 | 63.7 | 0 | 0 | 0 | 111 | L1307 G1309 A1316 F1326 | L1307-L1312 HydrophobicContact CB-CB 4.35Å; L1307-L1312 HydrophobicContact CB-CD1 4.24Å; G1309-L1312 PolarHBondContact O-N 3.02Å; L1312-A1316 VanDerWaalsContact O-CB 3.27Å; L1312-A1316 WeakPolarHBondContact O-CB 3.32Å; L1312-A1316 PolarHBondContact O-N 3.28Å; L1312-F1326 HydrophobicContact CD1-CD1 4Å; L1312-F1326 HydrophobicContact CD1-CE1 3.71Å |
| 1313 | E | 75.4 | Confident | 72 | Confident | 110 Ų | 110 | 53.1 Ų | 53.1 | 51% | 0.514 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -67.4 | -44.9 | 176.6 | -172.3 | 169 | -170.2 | 0 | 0 | 112.4 | G1309 A1310 K1311 Y1315 A1316 T1317 | G1309-E1313 PolarHBondContact O-N 3.22Å; A1310-E1313 PolarHBondContact O-N 3.45Å; K1311-E1313 VanDerWaalsContact C-N 3.27Å; K1311-E1313 PolarHBondContact O-N 2.95Å; E1313-Y1315 PolarHBondContact O-N 2.81Å; E1313-A1316 PolarHBondContact O-N 3.06Å; E1313-T1317 WeakPolarHBondContact O-CB 3.37Å; E1313-T1317 PolarHBondContact O-N 3.22Å; E1313-T1317 PolarHBondContact O-OG1 3.16Å |
| 1314 | L | 80.4 | Confident | 70.2 | Confident | 44 Ų | 44 | 60.7 Ų | 60.7 | 23% | 0.23 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -62.2 | -44.3 | 174.8 | -175.7 | 65.1 | 0 | 0 | 0 | 111.1 | I1268 C1272 A1310 K1311 T1317 L1318 | I1268-L1314 HydrophobicContact CD1-CD2 4.28Å; I1268-L1314 HydrophobicContact CD1-CG 4.08Å; I1268-L1314 HydrophobicContact CG2-CB 4.45Å; I1268-L1314 HydrophobicContact CG2-CD2 4.46Å; C1272-L1314 HydrophobicContact CB-CD2 4.36Å; C1272-L1314 WeakPolarHBondContact SG-CD2 3.41Å; A1310-L1314 WeakPolarHBondContact O-CB 3.27Å; A1310-L1314 PolarHBondContact O-N 3.2Å; K1311-L1314 PolarHBondContact O-N 2.92Å; L1314-T1317 WeakPolarHBondContact O-CB 3.31Å; L1314-T1317 PolarHBondContact O-N 3.26Å; L1314-L1318 HydrophobicContact CD1-CD1 3.85Å; L1314-L1318 HydrophobicContact CD1-CG 4.05Å; L1314-L1318 HydrophobicContact CD2-CD1 4.33Å; L1314-L1318 HydrophobicContact CG-CD1 3.8Å; L1314-L1318 HydrophobicContact CG-CG 4.31Å; L1314-L1318 WeakPolarHBondContact O-CB 3.4Å; L1314-L1318 WeakPolarHBondContact O-CG 3.47Å; L1314-L1318 PolarHBondContact O-N 3.47Å |
| 1315 | Y | 82.9 | Confident | 68.7 | Low | 2 Ų | 2 | 65.4 Ų | 65.4 | 1% | 0.008 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -59.4 | -48 | 174.5 | 171.2 | -97.3 | 0 | 0 | 0 | 112.3 | V1264 I1268 H1292 L1303 L1307 K1311 E1313 T1317 L1318 F1319 V1320 F1326 | V1264-Y1315 HydrophobicContact CG1-CE2 4.44Å; I1268-Y1315 HydrophobicContact CG1-CD2 4.16Å; H1292-Y1315 AromaticContact CD2-CE2 3.87Å; H1292-Y1315 AromaticContact NE2-CE2 3.65Å; H1292-Y1315 AromaticContact NE2-CZ 3.59Å; H1292-Y1315 PolarHBondContact NE2-OH 3.15Å; L1303-Y1315 HydrophobicContact CD1-CE2 4.13Å; L1307-Y1315 HydrophobicContact CD1-CD1 4.31Å; L1307-Y1315 HydrophobicContact CD1-CD2 3.96Å; L1307-Y1315 HydrophobicContact CD1-CG 3.71Å; K1311-Y1315 WeakPolarHBondContact O-CB 3.32Å; K1311-Y1315 PolarHBondContact O-N 2.83Å; E1313-Y1315 PolarHBondContact O-N 2.81Å; Y1315-T1317 PolarHBondContact O-N 3.34Å; Y1315-L1318 PolarHBondContact O-N 2.88Å; Y1315-F1319 HydrophobicContact CD2-CB 4.2Å; Y1315-F1319 AromaticContact CD2-CD2 3.52Å; Y1315-F1319 HydrophobicContact CD2-CD2 3.52Å; Y1315-F1319 HydrophobicContact CD2-CE2 4.28Å; Y1315-F1319 HydrophobicContact CD2-CG 4.14Å; Y1315-F1319 HydrophobicContact CE2-CB 3.92Å; Y1315-F1319 AromaticContact CE2-CD2 3.87Å; Y1315-F1319 HydrophobicContact CE2-CD2 3.87Å; Y1315-F1319 HydrophobicContact CE2-CG 4.04Å; Y1315-F1319 HydrophobicContact CG-CD2 4.38Å; Y1315-F1319 WeakPolarHBondContact O-CB 3.25Å; Y1315-F1319 PolarHBondContact O-N 2.92Å; Y1315-V1320 HydrophobicContact CD1-CG2 4.17Å; Y1315-V1320 HydrophobicContact CE1-CG2 3.58Å; Y1315-F1326 HydrophobicContact CD1-CE2 4.49Å; Y1315-F1326 HydrophobicContact CD1-CZ 4.48Å; Y1315-F1326 AromaticContact CE1-CD2 3.99Å; Y1315-F1326 HydrophobicContact CE1-CD2 3.99Å; Y1315-F1326 AromaticContact CE1-CE2 3.52Å; Y1315-F1326 HydrophobicContact CE1-CE2 3.52Å; Y1315-F1326 AromaticContact CE1-CZ 3.78Å; Y1315-F1326 HydrophobicContact CE1-CZ 3.78Å |
| 1316 | A | 76.5 | Confident | 66.9 | Low | 2 Ų | 2 | 61.8 Ų | 61.8 | 2% | 0.017 | 36% | 0.356 | C | S | . | . | I | π-helix | trans | -61.6 | -33.5 | 178 | 0 | 0 | 0 | 0 | 0 | 111.8 | L1312 E1313 V1320 G1321 G1322 | L1312-A1316 VanDerWaalsContact O-CB 3.27Å; L1312-A1316 WeakPolarHBondContact O-CB 3.32Å; L1312-A1316 PolarHBondContact O-N 3.28Å; E1313-A1316 PolarHBondContact O-N 3.06Å; A1316-V1320 CarbonylContact O-C 3.58Å; A1316-V1320 PolarHBondContact O-N 3.49Å; A1316-G1321 PolarHBondContact O-N 2.88Å; A1316-G1322 PolarHBondContact O-N 3.47Å; A1316-G1322 VanDerWaalsContact O-N 3.09Å |
| 1317 | T | 75.7 | Confident | 65.3 | Low | 96 Ų | 96 | 63.4 Ų | 63.4 | 59% | 0.589 | 36% | 0.364 | S | S | * | . | I | π-helix | trans | -72.2 | -47.3 | 177.8 | -57.2 | 0 | 0 | 0 | 0 | 111.7 | E1313 L1314 Y1315 | E1313-T1317 WeakPolarHBondContact O-CB 3.37Å; E1313-T1317 PolarHBondContact O-N 3.22Å; E1313-T1317 PolarHBondContact O-OG1 3.16Å; L1314-T1317 WeakPolarHBondContact O-CB 3.31Å; L1314-T1317 PolarHBondContact O-N 3.26Å; Y1315-T1317 PolarHBondContact O-N 3.34Å |
| 1318 | L | 77.9 | Confident | 63.5 | Low | 38 Ų | 38 | 71.8 Ų | 71.8 | 20% | 0.199 | 40% | 0.4 | C | S | . | . | I | π-helix | trans | -77.4 | -36.1 | -175.5 | -67.8 | 177.2 | 0 | 0 | 0 | 113.5 | F1267 I1268 M1281 L1285 L1314 Y1315 | F1267-L1318 HydrophobicContact CE1-CD1 4.1Å; I1268-L1318 HydrophobicContact CD1-CD1 3.69Å; M1281-L1318 HydrophobicContact CE-CD1 3.55Å; M1281-L1318 HydrophobicContact CE-CD2 3.77Å; M1281-L1318 HydrophobicContact CE-CG 4.35Å; L1285-L1318 HydrophobicContact CD1-CD2 4.37Å; L1285-L1318 HydrophobicContact CD2-CD2 4.22Å; L1314-L1318 HydrophobicContact CD1-CD1 3.85Å; L1314-L1318 HydrophobicContact CD1-CG 4.05Å; L1314-L1318 HydrophobicContact CD2-CD1 4.33Å; L1314-L1318 HydrophobicContact CG-CD1 3.8Å; L1314-L1318 HydrophobicContact CG-CG 4.31Å; L1314-L1318 WeakPolarHBondContact O-CB 3.4Å; L1314-L1318 WeakPolarHBondContact O-CG 3.47Å; L1314-L1318 PolarHBondContact O-N 3.47Å; Y1315-L1318 PolarHBondContact O-N 2.88Å |
| 1319 | F | 77.6 | Confident | 61.4 | Low | 26 Ų | 26 | 80.1 Ų | 80.1 | 11% | 0.114 | 42% | 0.42 | C | S | . | . | I | π-helix | trans | -116.1 | -23.4 | -168.9 | -65.5 | -79.3 | 0 | 0 | 0 | 115.1 | V1264 F1267 I1268 L1289 H1292 Y1315 | V1264-F1319 HydrophobicContact CG1-CD2 4.3Å; V1264-F1319 HydrophobicContact CG1-CE1 4.23Å; V1264-F1319 HydrophobicContact CG1-CE2 3.69Å; V1264-F1319 HydrophobicContact CG1-CZ 3.66Å; V1264-F1319 HydrophobicContact CG2-CZ 4.5Å; F1267-F1319 HydrophobicContact CD1-CE2 4.25Å; F1267-F1319 HydrophobicContact CD1-CZ 4.11Å; F1267-F1319 HydrophobicContact CE1-CE2 4.45Å; F1267-F1319 HydrophobicContact CE1-CZ 4.26Å; I1268-F1319 HydrophobicContact CD1-CD2 4.04Å; I1268-F1319 HydrophobicContact CD1-CE2 3.61Å; I1268-F1319 HydrophobicContact CG1-CD2 4.48Å; I1268-F1319 HydrophobicContact CG1-CE2 4Å; L1289-F1319 HydrophobicContact CD2-CD1 3.75Å; L1289-F1319 HydrophobicContact CD2-CE1 3.96Å; L1289-F1319 HydrophobicContact CG-CE1 4.48Å; H1292-F1319 HydrophobicContact CB-CD1 3.58Å; H1292-F1319 HydrophobicContact CB-CE1 3.74Å; H1292-F1319 AromaticContact CD2-CD1 3.65Å; H1292-F1319 AromaticContact CD2-CG 3.89Å; H1292-F1319 AromaticContact CG-CD1 3.46Å; H1292-F1319 VanDerWaalsContact CG-CD1 3.46Å; H1292-F1319 AromaticContact ND1-CD1 3.99Å; Y1315-F1319 HydrophobicContact CD2-CB 4.2Å; Y1315-F1319 AromaticContact CD2-CD2 3.52Å; Y1315-F1319 HydrophobicContact CD2-CD2 3.52Å; Y1315-F1319 HydrophobicContact CD2-CE2 4.28Å; Y1315-F1319 HydrophobicContact CD2-CG 4.14Å; Y1315-F1319 HydrophobicContact CE2-CB 3.92Å; Y1315-F1319 AromaticContact CE2-CD2 3.87Å; Y1315-F1319 HydrophobicContact CE2-CD2 3.87Å; Y1315-F1319 HydrophobicContact CE2-CG 4.04Å; Y1315-F1319 HydrophobicContact CG-CD2 4.38Å; Y1315-F1319 WeakPolarHBondContact O-CB 3.25Å; Y1315-F1319 PolarHBondContact O-N 2.92Å |
| 1320 | V | 66 | Low | 60.4 | Low | 41 Ų | 41 | 81.5 Ų | 81.5 | 25% | 0.248 | 41% | 0.414 | C | S | . | . | I | π-helix | trans | -117.2 | -20.5 | -169.2 | -168.7 | 0 | 0 | 0 | 0 | 113.4 | Y1315 A1316 K1325 F1326 | Y1315-V1320 HydrophobicContact CD1-CG2 4.17Å; Y1315-V1320 HydrophobicContact CE1-CG2 3.58Å; A1316-V1320 CarbonylContact O-C 3.58Å; A1316-V1320 PolarHBondContact O-N 3.49Å; V1320-K1325 HydrophobicContact CG1-CB 4.33Å; V1320-F1326 HydrophobicContact CG1-CB 4.15Å; V1320-F1326 HydrophobicContact CG1-CD2 4.33Å; V1320-F1326 HydrophobicContact CG2-CD2 3.99Å |
| 1321 | G | 53.7 | Low | 59.5 | Low | 61 Ų | 61 | 82.1 Ų | 82.1 | 63% | 0.629 | 41% | 0.406 | S | S | * | . | S | Bend | trans | 73.1 | 30.8 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | A1316 | A1316-G1321 PolarHBondContact O-N 2.88Š|
| 1322 | G | 44.4 | Very low | 58.2 | Low | 29 Ų | 29 | 83.2 Ų | 83.2 | 30% | 0.299 | 41% | 0.413 | S | S | . | . | S | Bend | trans | 132.7 | 141.2 | 170.8 | 0 | 0 | 0 | 0 | 0 | 116 | A1316 E1324 K1325 | A1316-G1322 PolarHBondContact O-N 3.47Å; A1316-G1322 VanDerWaalsContact O-N 3.09Å; G1322-E1324 VanDerWaalsContact C-N 3.35Å; G1322-E1324 PolarHBondContact O-N 3.07Å; G1322-K1325 PolarHBondContact O-N 2.82Å |
| 1323 | K | 33.7 | Very low | 57 | Low | 109 Ų | 109 | 86.5 Ų | 86.5 | 47% | 0.474 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -58.5 | -36.6 | -171.6 | -155.5 | 176.3 | -174.4 | 175 | 0 | 114.2 | K1325 F1326 L1327 | K1323-K1325 VanDerWaalsContact C-N 3.34Å; K1323-K1325 PolarHBondContact O-N 3.48Å; K1323-F1326 PolarHBondContact O-N 3.2Å; K1323-L1327 PolarHBondContact O-N 3.13Å |
| 1324 | E | 39.2 | Very low | 55.9 | Low | 159 Ų | 159 | 85.1 Ų | 85.1 | 74% | 0.743 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -68.1 | -28.6 | -178 | -69.3 | -170.4 | 160.8 | 0 | 0 | 114.2 | G1322 | G1322-E1324 VanDerWaalsContact C-N 3.35Å; G1322-E1324 PolarHBondContact O-N 3.07Å |
| 1325 | K | 39.9 | Very low | 54.3 | Low | 147 Ų | 147 | 87.8 Ų | 87.8 | 64% | 0.639 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -75.5 | -27.8 | 177.2 | -76 | -177.8 | 179.4 | 173.3 | 0 | 112.2 | V1320 G1322 K1323 | V1320-K1325 HydrophobicContact CG1-CB 4.33Å; G1322-K1325 PolarHBondContact O-N 2.82Å; K1323-K1325 VanDerWaalsContact C-N 3.34Å; K1323-K1325 PolarHBondContact O-N 3.48Å |
| 1326 | F | 33.7 | Very low | 52.2 | Low | 18 Ų | 18 | 93.9 Ų | 93.9 | 8% | 0.079 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -75.9 | -42 | -179 | -168.4 | -111.2 | 0 | 0 | 0 | 112.4 | I1300 L1312 Y1315 V1320 K1323 K1328 R1329 | I1300-F1326 HydrophobicContact CG2-CE2 3.89Å; I1300-F1326 HydrophobicContact CG2-CZ 4.48Å; L1312-F1326 HydrophobicContact CD1-CD1 4Å; L1312-F1326 HydrophobicContact CD1-CE1 3.71Å; Y1315-F1326 HydrophobicContact CD1-CE2 4.49Å; Y1315-F1326 HydrophobicContact CD1-CZ 4.48Å; Y1315-F1326 AromaticContact CE1-CD2 3.99Å; Y1315-F1326 HydrophobicContact CE1-CD2 3.99Å; Y1315-F1326 AromaticContact CE1-CE2 3.52Å; Y1315-F1326 HydrophobicContact CE1-CE2 3.52Å; Y1315-F1326 AromaticContact CE1-CZ 3.78Å; Y1315-F1326 HydrophobicContact CE1-CZ 3.78Å; V1320-F1326 HydrophobicContact CG1-CB 4.15Å; V1320-F1326 HydrophobicContact CG1-CD2 4.33Å; V1320-F1326 HydrophobicContact CG2-CD2 3.99Å; K1323-F1326 PolarHBondContact O-N 3.2Å; F1326-K1328 PolarHBondContact O-N 3.49Å; F1326-R1329 PolarHBondContact O-N 2.87Å |
| 1327 | L | 38.3 | Very low | 50.3 | Low | 131 Ų | 131 | 101 Ų | 101 | 69% | 0.686 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.1 | -10.5 | 179.1 | -70.6 | 169 | 0 | 0 | 0 | 114.2 | K1323 | K1323-L1327 PolarHBondContact O-N 3.13Š|
| 1328 | K | 40.9 | Very low | 48.2 | Very low | 181 Ų | 181 | 101.4 Ų | 101.4 | 79% | 0.787 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.8 | -7.9 | 178 | -78.5 | -177.3 | 177.6 | 173.2 | 0 | 114.2 | F1326 | F1326-K1328 PolarHBondContact O-N 3.49Š|
| 1329 | R | 33.7 | Very low | 45.5 | Very low | 277 Ų | 277 | 107.2 Ų | 107.2 | 100% | 1.045 | 52% | 0.522 | S | S | * | . | trans | -100.6 | 0 | 169.4 | -79.1 | -174 | 175.5 | -177.7 | -0.9 | 108.8 | F1326 | F1326-R1329 PolarHBondContact O-N 2.87Š|
Retrieved 1,329 of 1,329 residues in 1059.4 ms
(Link to these results)