| 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 | 29.1 | Very low | 44.7 | Very low | 109 Ų | 109 | 100.1 Ų | 100.1 | 54% | 0.537 | 54% | 0.535 | S | S | . | . | 0 | -72.1 | 0 | -65.4 | -48.7 | -159.5 | 0 | 0 | 112.4 | K3 I4 F50 I54 | M1-K3 PolarHBondContact O-N 2.9Å; M1-I4 PolarHBondContact O-N 2.96Å; M1-F50 HydrophobicContact CE-CE2 4.2Å; M1-F50 HydrophobicContact CE-CZ 4.39Å; M1-I54 HydrophobicContact CE-CD1 4.17Å; M1-I54 HydrophobicContact CE-CG1 3.66Å | |||
| 2 | S | 29.8 | Very low | 46.4 | Very low | 126 Ų | 126 | 92.8 Ų | 92.8 | 88% | 0.881 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | 17.4 | -165.5 | 52.1 | 0 | 0 | 0 | 0 | 119.6 | ||
| 3 | K | 33.8 | Very low | 48 | Very low | 201 Ų | 201 | 94.8 Ų | 94.8 | 87% | 0.874 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -130 | 8 | 179.7 | -78.3 | -167.6 | 173.7 | -176.1 | 0 | 115.2 | M1 V5 | M1-K3 PolarHBondContact O-N 2.9Å; K3-V5 PolarHBondContact O-N 3.3Å |
| 4 | I | 38.6 | Very low | 49.9 | Very low | 95 Ų | 95 | 95.8 Ų | 95.8 | 49% | 0.487 | 49% | 0.491 | S | S | . | . | trans | -84.7 | 114.9 | 174.8 | -60.1 | 179.5 | 0 | 0 | 0 | 108.7 | M1 L6 W14 | M1-I4 PolarHBondContact O-N 2.96Å; I4-L6 PolarHBondContact O-N 3.42Å; I4-W14 HydrophobicContact CD1-CH2 3.79Å; I4-W14 HydrophobicContact CD1-CZ2 3.79Å; I4-W14 HydrophobicContact CD1-CZ3 4.2Å | ||
| 5 | V | 34.8 | Very low | 51.1 | Low | 132 Ų | 132 | 90.7 Ų | 90.7 | 80% | 0.8 | 47% | 0.465 | S | S | * | . | trans | -65 | 123.1 | 178.8 | 178.4 | 0 | 0 | 0 | 0 | 109.8 | K3 N7 | K3-V5 PolarHBondContact O-N 3.3Å; V5-N7 PolarHBondContact O-N 3.45Å | ||
| 6 | L | 37.3 | Very low | 52.3 | Low | 82 Ų | 82 | 86.6 Ų | 86.6 | 43% | 0.429 | 45% | 0.447 | S | S | . | . | trans | -83 | 99.6 | -178.3 | -68.4 | 172.5 | 0 | 0 | 0 | 111 | I4 I61 | I4-L6 PolarHBondContact O-N 3.42Å; L6-I61 HydrophobicContact CD1-CG1 4.46Å | ||
| 7 | N | 44.1 | Very low | 53.6 | Low | 119 Ų | 119 | 89.9 Ų | 89.9 | 64% | 0.636 | 46% | 0.457 | S | S | * | . | trans | -87.4 | 124.6 | 148 | -82.1 | -19.3 | 0 | 0 | 0 | 107.7 | V5 H9 D10 S11 | V5-N7 PolarHBondContact O-N 3.45Å; N7-H9 PolarHBondContact O-N 3.15Å; N7-D10 PolarHBondContact O-N 3.46Å; N7-S11 PolarHBondContact O-N 3.24Å; N7-S11 PolarHBondContact O-OG 3.3Å | ||
| 8 | D | 55.9 | Low | 54.8 | Low | 75 Ų | 75 | 87.1 Ų | 87.1 | 40% | 0.401 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -55.1 | -27.7 | -161.1 | -59 | -31.5 | 0 | 0 | 0 | 116.1 | S11 L65 | D8-S11 PolarHBondContact O-OG 3.43Å; D8-L65 HydrophobicContact CB-CD2 3.95Å; D8-L65 VanDerWaalsContact OD1-CD2 3.29Å; D8-L65 WeakPolarHBondContact OD1-CD2 3.35Å |
| 9 | H | 59.4 | Low | 55.6 | Low | 62 Ų | 62 | 82.8 Ų | 82.8 | 29% | 0.287 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -91.5 | -37.9 | -179.4 | -76.1 | -29.1 | 0 | 0 | 0 | 114.7 | N7 K13 C74 L77 | N7-H9 PolarHBondContact O-N 3.15Å; H9-K13 WeakPolarHBondContact O-CB 3.35Å; H9-K13 PolarHBondContact O-N 3Å; H9-C74 VanDerWaalsContact CE1-SG 3.5Å; H9-L77 HydrophobicContact CB-CD1 4.13Å |
| 10 | D | 63.7 | Low | 56.2 | Low | 89 Ų | 89 | 86.5 Ų | 86.5 | 48% | 0.476 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -80.3 | -20.5 | -174 | -72.9 | -48.7 | 0 | 0 | 0 | 112.5 | N7 K13 W14 | N7-D10 PolarHBondContact O-N 3.46Å; D10-K13 VanDerWaalsContact OD1-CD 3.25Å; D10-K13 WeakPolarHBondContact OD1-CD 3.25Å; D10-K13 IonicContact OD1-NZ 3.22Å; D10-K13 PolarHBondContact OD1-NZ 2.76Å; D10-W14 VanDerWaalsContact O-CB 3.24Å; D10-W14 WeakPolarHBondContact O-CB 3.43Å; D10-W14 PolarHBondContact O-N 3.19Å |
| 11 | S | 65.9 | Low | 57 | Low | 11 Ų | 11 | 86.5 Ų | 86.5 | 8% | 0.077 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -65.7 | -49.9 | 173.6 | 58.3 | 0 | 0 | 0 | 0 | 113.1 | N7 D8 K13 W14 L15 | N7-S11 PolarHBondContact O-N 3.24Å; N7-S11 PolarHBondContact O-OG 3.3Å; D8-S11 PolarHBondContact O-OG 3.43Å; S11-K13 VanDerWaalsContact C-N 3.27Å; S11-K13 PolarHBondContact O-N 3.02Å; S11-W14 PolarHBondContact O-N 2.9Å; S11-L15 PolarHBondContact O-N 3.05Å |
| 12 | I | 64.5 | Low | 58.9 | Low | 12 Ų | 12 | 83.2 Ų | 83.2 | 6% | 0.062 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -64.2 | -37.1 | 176.8 | -52.1 | 175.3 | 0 | 0 | 0 | 110.3 | L15 S16 L65 L77 L81 | I12-L15 PolarHBondContact O-N 3.14Å; I12-S16 WeakPolarHBondContact O-CB 3.42Å; I12-S16 PolarHBondContact O-N 3.15Å; I12-L65 HydrophobicContact CD1-CD1 4.29Å; I12-L65 HydrophobicContact CG1-CD1 4.45Å; I12-L77 HydrophobicContact CB-CB 4.31Å; I12-L77 HydrophobicContact CG2-CB 3.88Å; I12-L81 HydrophobicContact CG2-CB 4.34Å |
| 13 | K | 66.9 | Low | 60.7 | Low | 119 Ų | 119 | 77.4 Ų | 77.4 | 52% | 0.517 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -68.1 | -37.9 | 177.2 | -159.8 | -177.7 | -177 | -176 | 0 | 111.7 | H9 D10 S11 K17 L77 | H9-K13 WeakPolarHBondContact O-CB 3.35Å; H9-K13 PolarHBondContact O-N 3Å; D10-K13 VanDerWaalsContact OD1-CD 3.25Å; D10-K13 WeakPolarHBondContact OD1-CD 3.25Å; D10-K13 IonicContact OD1-NZ 3.22Å; D10-K13 PolarHBondContact OD1-NZ 2.76Å; S11-K13 VanDerWaalsContact C-N 3.27Å; S11-K13 PolarHBondContact O-N 3.02Å; K13-K17 WeakPolarHBondContact O-CB 3.41Å; K13-K17 PolarHBondContact O-N 2.94Å; K13-K17 VanDerWaalsContact O-N 3.09Å; K13-L77 HydrophobicContact CB-CD2 4.29Å; K13-L77 HydrophobicContact CG-CD2 4.4Å |
| 14 | W | 75 | Confident | 62.3 | Low | 109 Ų | 109 | 73.2 Ų | 73.2 | 41% | 0.413 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -67.7 | -46.7 | 171.7 | -179.8 | 86.9 | 0 | 0 | 0 | 111.5 | I4 D10 S11 S16 K17 L18 | I4-W14 HydrophobicContact CD1-CH2 3.79Å; I4-W14 HydrophobicContact CD1-CZ2 3.79Å; I4-W14 HydrophobicContact CD1-CZ3 4.2Å; D10-W14 VanDerWaalsContact O-CB 3.24Å; D10-W14 WeakPolarHBondContact O-CB 3.43Å; D10-W14 PolarHBondContact O-N 3.19Å; S11-W14 PolarHBondContact O-N 2.9Å; W14-S16 PolarHBondContact O-N 3.36Å; W14-K17 CarbonylContact O-C 3.6Å; W14-K17 PolarHBondContact O-N 3.28Å; W14-K17 VanDerWaalsContact O-N 3.14Å; W14-L18 HydrophobicContact CH2-CD1 4.36Å; W14-L18 HydrophobicContact CH2-CD2 3.78Å; W14-L18 HydrophobicContact CZ2-CD1 4.16Å; W14-L18 HydrophobicContact CZ2-CD2 4.38Å; W14-L18 HydrophobicContact CZ3-CD2 3.91Å; W14-L18 WeakPolarHBondContact O-CB 3.32Å; W14-L18 PolarHBondContact O-N 3.04Å |
| 15 | L | 68.3 | Low | 63.7 | Low | 20 Ų | 20 | 72.1 Ų | 72.1 | 11% | 0.105 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -58.4 | -45.4 | 174.4 | -80.2 | 164.2 | 0 | 0 | 0 | 112.4 | S11 I12 K17 L18 T19 V58 L81 | S11-L15 PolarHBondContact O-N 3.05Å; I12-L15 PolarHBondContact O-N 3.14Å; L15-K17 VanDerWaalsContact C-N 3.29Å; L15-K17 PolarHBondContact O-N 3.08Å; L15-L18 PolarHBondContact O-N 3.1Å; L15-T19 WeakPolarHBondContact O-CG2 3.42Å; L15-T19 PolarHBondContact O-N 3.44Å; L15-T19 PolarHBondContact O-OG1 2.95Å; L15-V58 HydrophobicContact CD1-CG2 4Å; L15-V58 HydrophobicContact CD2-CG2 3.91Å; L15-L81 HydrophobicContact CB-CD1 3.86Å |
| 16 | S | 70.1 | Confident | 65 | Low | 24 Ų | 24 | 66.8 Ų | 66.8 | 17% | 0.168 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -62.5 | -34.8 | 175.5 | -176.9 | 0 | 0 | 0 | 0 | 112.5 | I12 W14 T19 R20 K80 | I12-S16 WeakPolarHBondContact O-CB 3.42Å; I12-S16 PolarHBondContact O-N 3.15Å; W14-S16 PolarHBondContact O-N 3.36Å; S16-T19 PolarHBondContact O-OG1 3.32Å; S16-R20 WeakPolarHBondContact O-CB 3.07Å; S16-R20 PolarHBondContact O-N 3.3Å; S16-K80 PolarHBondContact OG-O 3.33Å |
| 17 | K | 74.9 | Confident | 66.3 | Low | 144 Ų | 144 | 68.5 Ų | 68.5 | 63% | 0.626 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -74.4 | -37.4 | 172.9 | -162.5 | 176.1 | -175.5 | -176.7 | 0 | 112.5 | K13 W14 L15 N21 | K13-K17 WeakPolarHBondContact O-CB 3.41Å; K13-K17 PolarHBondContact O-N 2.94Å; K13-K17 VanDerWaalsContact O-N 3.09Å; W14-K17 CarbonylContact O-C 3.6Å; W14-K17 PolarHBondContact O-N 3.28Å; W14-K17 VanDerWaalsContact O-N 3.14Å; L15-K17 VanDerWaalsContact C-N 3.29Å; L15-K17 PolarHBondContact O-N 3.08Å; K17-N21 WeakPolarHBondContact O-CB 3.32Å; K17-N21 PolarHBondContact O-N 3.02Å; K17-N21 PolarHBondContact O-OD1 2.74Å |
| 18 | L | 74.9 | Confident | 67.3 | Low | 38 Ų | 38 | 69.8 Ų | 69.8 | 20% | 0.199 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -64.3 | -55 | 178.3 | -173.3 | 77.6 | 0 | 0 | 0 | 111 | W14 L15 R20 N21 I22 I54 | W14-L18 HydrophobicContact CH2-CD1 4.36Å; W14-L18 HydrophobicContact CH2-CD2 3.78Å; W14-L18 HydrophobicContact CZ2-CD1 4.16Å; W14-L18 HydrophobicContact CZ2-CD2 4.38Å; W14-L18 HydrophobicContact CZ3-CD2 3.91Å; W14-L18 WeakPolarHBondContact O-CB 3.32Å; W14-L18 PolarHBondContact O-N 3.04Å; L15-L18 PolarHBondContact O-N 3.1Å; L18-R20 VanDerWaalsContact C-N 3.28Å; L18-R20 PolarHBondContact O-N 3.17Å; L18-N21 PolarHBondContact O-N 2.92Å; L18-N21 VanDerWaalsContact O-N 3.11Å; L18-I22 HydrophobicContact CD1-CD1 4.5Å; L18-I22 HydrophobicContact CD2-CD1 4.31Å; L18-I22 HydrophobicContact CG-CD1 3.83Å; L18-I22 WeakPolarHBondContact O-CD1 3.36Å; L18-I22 VanDerWaalsContact O-CG1 3.27Å; L18-I22 WeakPolarHBondContact O-CG1 3.46Å; L18-I22 PolarHBondContact O-N 3.03Å; L18-I54 HydrophobicContact CD2-CD1 4.35Å |
| 19 | T | 69.5 | Low | 67.5 | Low | 6 Ų | 6 | 69.2 Ų | 69.2 | 4% | 0.037 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -55 | -41.7 | 176.2 | 48.7 | 0 | 0 | 0 | 0 | 112.5 | L15 S16 I22 S23 S84 L85 | L15-T19 WeakPolarHBondContact O-CG2 3.42Å; L15-T19 PolarHBondContact O-N 3.44Å; L15-T19 PolarHBondContact O-OG1 2.95Å; S16-T19 PolarHBondContact O-OG1 3.32Å; T19-I22 PolarHBondContact O-N 3.08Å; T19-S23 WeakPolarHBondContact O-CB 3.37Å; T19-S23 PolarHBondContact O-N 3.41Å; T19-S84 WeakPolarHBondContact OG1-CB 3.3Å; T19-S84 PolarHBondContact OG1-OG 3.15Å; T19-L85 HydrophobicContact CG2-CD2 4.09Å |
| 20 | R | 68.6 | Low | 67.3 | Low | 157 Ų | 157 | 68.9 Ų | 68.9 | 59% | 0.592 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -68.5 | -38 | 176.1 | -169.5 | 177.1 | -173.7 | 125.8 | 1.8 | 113.3 | S16 L18 S23 Q24 | S16-R20 WeakPolarHBondContact O-CB 3.07Å; S16-R20 PolarHBondContact O-N 3.3Å; L18-R20 VanDerWaalsContact C-N 3.28Å; L18-R20 PolarHBondContact O-N 3.17Å; R20-S23 PolarHBondContact O-OG 3.09Å; R20-Q24 WeakPolarHBondContact O-CB 3.41Å; R20-Q24 VanDerWaalsContact O-CG 3.32Å; R20-Q24 WeakPolarHBondContact O-CG 3.16Å; R20-Q24 PolarHBondContact O-N 3.47Å |
| 21 | N | 72.8 | Confident | 66.7 | Low | 87 Ų | 87 | 67 Ų | 67 | 47% | 0.465 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -66 | -41.7 | 173.2 | -76.3 | 9.8 | 0 | 0 | 0 | 111.1 | K17 L18 Q24 S25 | K17-N21 WeakPolarHBondContact O-CB 3.32Å; K17-N21 PolarHBondContact O-N 3.02Å; K17-N21 PolarHBondContact O-OD1 2.74Å; L18-N21 PolarHBondContact O-N 2.92Å; L18-N21 VanDerWaalsContact O-N 3.11Å; N21-Q24 PolarHBondContact O-N 3.35Å; N21-S25 VanDerWaalsContact O-CB 3.31Å; N21-S25 WeakPolarHBondContact O-CB 3.42Å; N21-S25 PolarHBondContact O-N 3.04Å |
| 22 | I | 67.9 | Low | 65.9 | Low | 40 Ų | 40 | 71.5 Ų | 71.5 | 21% | 0.205 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -64.3 | -46.4 | 176.8 | -63.8 | 158.6 | 0 | 0 | 0 | 110.3 | L18 T19 Q24 S25 M26 F50 L88 | L18-I22 HydrophobicContact CD1-CD1 4.5Å; L18-I22 HydrophobicContact CD2-CD1 4.31Å; L18-I22 HydrophobicContact CG-CD1 3.83Å; L18-I22 WeakPolarHBondContact O-CD1 3.36Å; L18-I22 VanDerWaalsContact O-CG1 3.27Å; L18-I22 WeakPolarHBondContact O-CG1 3.46Å; L18-I22 PolarHBondContact O-N 3.03Å; T19-I22 PolarHBondContact O-N 3.08Å; I22-Q24 VanDerWaalsContact C-N 3.34Å; I22-Q24 PolarHBondContact O-N 3.33Å; I22-S25 PolarHBondContact O-N 2.93Å; I22-S25 VanDerWaalsContact O-N 3.16Å; I22-M26 HydrophobicContact CG2-CE 4.01Å; I22-M26 HydrophobicContact CG2-CG 4.25Å; I22-M26 HydrophobicContact CG2-SD 4.08Å; I22-M26 WeakPolarHBondContact O-CG 3.46Å; I22-M26 PolarHBondContact O-N 3.03Å; I22-F50 HydrophobicContact CD1-CE1 3.78Å; I22-L88 HydrophobicContact CB-CD1 4.15Å; I22-L88 HydrophobicContact CG2-CD1 3.72Å |
| 23 | S | 67.4 | Low | 65 | Low | 4 Ų | 4 | 80.6 Ų | 80.6 | 3% | 0.028 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -61.5 | -42.4 | 178.1 | 74.2 | 0 | 0 | 0 | 0 | 111.7 | T19 R20 Y27 | T19-S23 WeakPolarHBondContact O-CB 3.37Å; T19-S23 PolarHBondContact O-N 3.41Å; R20-S23 PolarHBondContact O-OG 3.09Å; S23-Y27 VanDerWaalsContact O-CB 3.22Å; S23-Y27 WeakPolarHBondContact O-CB 3.44Å; S23-Y27 PolarHBondContact O-N 3.38Å |
| 24 | Q | 68.8 | Low | 64 | Low | 113 Ų | 113 | 82.4 Ų | 82.4 | 53% | 0.528 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -66.5 | -36.8 | 174.6 | -74.5 | -176.6 | -43.1 | 0 | 0 | 112.6 | R20 N21 I22 K28 | R20-Q24 WeakPolarHBondContact O-CB 3.41Å; R20-Q24 VanDerWaalsContact O-CG 3.32Å; R20-Q24 WeakPolarHBondContact O-CG 3.16Å; R20-Q24 PolarHBondContact O-N 3.47Å; N21-Q24 PolarHBondContact O-N 3.35Å; I22-Q24 VanDerWaalsContact C-N 3.34Å; I22-Q24 PolarHBondContact O-N 3.33Å; Q24-K28 VanDerWaalsContact O-CB 3.22Å; Q24-K28 WeakPolarHBondContact O-CB 3.26Å; Q24-K28 PolarHBondContact O-N 2.97Å; Q24-K28 VanDerWaalsContact O-N 3.12Å |
| 25 | S | 66.7 | Low | 62.5 | Low | 72 Ų | 72 | 85 Ų | 85 | 50% | 0.503 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -67.2 | -51.9 | 177.7 | -164.1 | 0 | 0 | 0 | 0 | 111.4 | N21 I22 Y27 K28 T29 | N21-S25 VanDerWaalsContact O-CB 3.31Å; N21-S25 WeakPolarHBondContact O-CB 3.42Å; N21-S25 PolarHBondContact O-N 3.04Å; I22-S25 PolarHBondContact O-N 2.93Å; I22-S25 VanDerWaalsContact O-N 3.16Å; S25-Y27 PolarHBondContact O-N 3.47Å; S25-K28 PolarHBondContact O-N 3.37Å; S25-K28 VanDerWaalsContact O-N 3.17Å; S25-T29 PolarHBondContact O-N 3.14Å; S25-T29 PolarHBondContact O-OG1 3.38Å |
| 26 | M | 63.4 | Low | 61.2 | Low | 19 Ų | 19 | 91 Ų | 91 | 9% | 0.094 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -63.3 | -43 | -179.8 | -65.2 | -170.6 | -48.9 | 0 | 0 | 111.7 | I22 K28 T29 F30 I47 L88 M92 I95 | I22-M26 HydrophobicContact CG2-CE 4.01Å; I22-M26 HydrophobicContact CG2-CG 4.25Å; I22-M26 HydrophobicContact CG2-SD 4.08Å; I22-M26 WeakPolarHBondContact O-CG 3.46Å; I22-M26 PolarHBondContact O-N 3.03Å; M26-K28 PolarHBondContact O-N 2.94Å; M26-T29 WeakPolarHBondContact CA-OG1 3.42Å; M26-T29 PolarHBondContact O-N 3.44Å; M26-T29 PolarHBondContact O-OG1 3.27Å; M26-T29 VanDerWaalsContact O-OG1 3.07Å; M26-F30 WeakPolarHBondContact O-CD2 3.48Å; M26-F30 PolarHBondContact O-N 3.49Å; M26-F30 VanDerWaalsContact O-N 3.17Å; M26-I47 HydrophobicContact SD-CD1 4.49Å; M26-L88 HydrophobicContact CE-CD1 3.48Å; M26-L88 VanDerWaalsContact CE-CD1 3.48Å; M26-M92 HydrophobicContact CE-CG 4Å; M26-M92 HydrophobicContact CE-SD 3.37Å; M26-M92 WeakPolarHBondContact CE-SD 3.23Å; M26-M92 HydrophobicContact SD-SD 3.79Å; M26-I95 HydrophobicContact CB-CD1 4.02Å |
| 27 | Y | 64.2 | Low | 60 | Low | 118 Ų | 118 | 95.9 Ų | 95.9 | 46% | 0.463 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -60.1 | -38.1 | 176.1 | -165.3 | -85.5 | 0 | 0 | 0 | 111.7 | S23 S25 S31 Y94 | S23-Y27 VanDerWaalsContact O-CB 3.22Å; S23-Y27 WeakPolarHBondContact O-CB 3.44Å; S23-Y27 PolarHBondContact O-N 3.38Å; S25-Y27 PolarHBondContact O-N 3.47Å; Y27-S31 VanDerWaalsContact O-CB 3.28Å; Y27-S31 WeakPolarHBondContact O-CB 3.41Å; Y27-S31 PolarHBondContact O-N 2.96Å; Y27-S31 VanDerWaalsContact O-N 3.11Å; Y27-S31 PolarHBondContact O-OG 3.48Å; Y27-Y94 HydrophobicContact CD2-CD1 4.37Å; Y27-Y94 AromaticContact CE2-CD1 3.96Å; Y27-Y94 HydrophobicContact CE2-CD1 3.96Å; Y27-Y94 HydrophobicContact CE2-CE1 4.2Å |
| 28 | K | 64.6 | Low | 58.6 | Low | 146 Ų | 146 | 96 Ų | 96 | 64% | 0.635 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -76.9 | -34 | -179.3 | -163.4 | 178.1 | -175.8 | -171 | 0 | 113.6 | Q24 S25 M26 F30 S31 | Q24-K28 VanDerWaalsContact O-CB 3.22Å; Q24-K28 WeakPolarHBondContact O-CB 3.26Å; Q24-K28 PolarHBondContact O-N 2.97Å; Q24-K28 VanDerWaalsContact O-N 3.12Å; S25-K28 PolarHBondContact O-N 3.37Å; S25-K28 VanDerWaalsContact O-N 3.17Å; M26-K28 PolarHBondContact O-N 2.94Å; K28-F30 VanDerWaalsContact C-N 3.35Å; K28-S31 PolarHBondContact O-OG 3.36Å |
| 29 | T | 60.9 | Low | 57 | Low | 64 Ų | 64 | 97.5 Ų | 97.5 | 39% | 0.393 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -70.7 | -30.4 | 175.3 | 49.2 | 0 | 0 | 0 | 0 | 112.8 | S25 M26 | S25-T29 PolarHBondContact O-N 3.14Å; S25-T29 PolarHBondContact O-OG1 3.38Å; M26-T29 WeakPolarHBondContact CA-OG1 3.42Å; M26-T29 PolarHBondContact O-N 3.44Å; M26-T29 PolarHBondContact O-OG1 3.27Å; M26-T29 VanDerWaalsContact O-OG1 3.07Å |
| 30 | F | 53.7 | Low | 55.9 | Low | 55 Ų | 55 | 102.5 Ų | 102.5 | 24% | 0.241 | 50% | 0.497 | C | S | . | . | H | α-helix | trans | -95.6 | -5.3 | 179 | -75.4 | -80 | 0 | 0 | 0 | 114.5 | M26 K28 L39 I95 | M26-F30 WeakPolarHBondContact O-CD2 3.48Å; M26-F30 PolarHBondContact O-N 3.49Å; M26-F30 VanDerWaalsContact O-N 3.17Å; K28-F30 VanDerWaalsContact C-N 3.35Å; F30-L39 HydrophobicContact CE1-CD1 3.59Å; F30-L39 HydrophobicContact CZ-CD1 3.59Å; F30-I95 HydrophobicContact CB-CG1 4.13Å; F30-I95 HydrophobicContact CD1-CG2 4.3Å; F30-I95 HydrophobicContact CD2-CD1 3.51Å; F30-I95 HydrophobicContact CD2-CG1 3.75Å; F30-I95 HydrophobicContact CD2-CG2 4.28Å; F30-I95 HydrophobicContact CE1-CG2 4.12Å; F30-I95 HydrophobicContact CE2-CD1 3.88Å; F30-I95 HydrophobicContact CE2-CG1 4.29Å; F30-I95 HydrophobicContact CE2-CG2 4.11Å; F30-I95 HydrophobicContact CG-CD1 4.19Å; F30-I95 HydrophobicContact CG-CG1 3.91Å; F30-I95 HydrophobicContact CG-CG2 4.39Å; F30-I95 HydrophobicContact CZ-CG2 4.01Å |
| 31 | S | 51.6 | Low | 55.2 | Low | 50 Ų | 50 | 98.6 Ų | 98.6 | 35% | 0.35 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -83.9 | -21.4 | 176.7 | 61.6 | 0 | 0 | 0 | 0 | 114.5 | Y27 K28 K33 | Y27-S31 VanDerWaalsContact O-CB 3.28Å; Y27-S31 WeakPolarHBondContact O-CB 3.41Å; Y27-S31 PolarHBondContact O-N 2.96Å; Y27-S31 VanDerWaalsContact O-N 3.11Å; Y27-S31 PolarHBondContact O-OG 3.48Å; K28-S31 PolarHBondContact O-OG 3.36Å; S31-K33 PolarHBondContact O-N 2.9Å |
| 32 | D | 49.1 | Very low | 54.2 | Low | 104 Ų | 104 | 99.1 Ų | 99.1 | 56% | 0.556 | 49% | 0.493 | S | S | * | . | S | Bend | trans | -82.3 | 112.5 | -179.5 | -73.3 | -18 | 0 | 0 | 0 | 110.1 | N34 | D32-N34 PolarHBondContact O-N 3.36Š|
| 33 | K | 46.8 | Very low | 53.7 | Low | 203 Ų | 203 | 101.9 Ų | 101.9 | 88% | 0.883 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | 8.9 | -164.6 | -66.3 | -172.9 | 173.4 | -174.3 | 0 | 117.5 | S31 | S31-K33 PolarHBondContact O-N 2.9Š|
| 34 | N | 45.3 | Very low | 53.2 | Low | 158 Ų | 158 | 103 Ų | 103 | 85% | 0.845 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118.9 | 22.7 | -170 | -70 | 13.3 | 0 | 0 | 0 | 113.7 | D32 | D32-N34 PolarHBondContact O-N 3.36Š|
| 35 | Y | 42.8 | Very low | 52.7 | Low | 162 Ų | 162 | 102.7 Ų | 102.7 | 64% | 0.635 | 51% | 0.512 | S | S | * | . | trans | -91 | 124.4 | 170.3 | -93.5 | -88.2 | 0 | 0 | 0 | 111.2 | ||||
| 36 | D | 41.9 | Very low | 52.6 | Low | 148 Ų | 148 | 105.2 Ų | 105.2 | 79% | 0.791 | 52% | 0.518 | S | S | * | . | trans | -64.5 | 139.4 | 168.2 | -81.8 | -47.9 | 0 | 0 | 0 | 110.6 | N38 | D36-N38 PolarHBondContact O-N 3.04Å; D36-N38 VanDerWaalsContact O-N 3.1Å | ||
| 37 | Y | 45.1 | Very low | 52.5 | Low | 126 Ų | 126 | 105.7 Ų | 105.7 | 49% | 0.494 | 52% | 0.52 | S | S | . | . | S | Bend | trans | -75.2 | 2.5 | -169.6 | -83.5 | -101.8 | 0 | 0 | 0 | 115.2 | L39 A102 | Y37-L39 VanDerWaalsContact C-N 3.32Å; Y37-L39 PolarHBondContact O-N 3.34Å; Y37-A102 HydrophobicContact CD1-CB 3.84Å; Y37-A102 HydrophobicContact CE1-CB 4.26Å; Y37-A102 HydrophobicContact CG-CB 4.39Å |
| 38 | N | 44.8 | Very low | 52.4 | Low | 146 Ų | 146 | 101 Ų | 101 | 78% | 0.781 | 50% | 0.504 | S | S | * | . | trans | -81.8 | 72.8 | 176.2 | -72 | -12 | 0 | 0 | 0 | 111.3 | D36 | D36-N38 PolarHBondContact O-N 3.04Å; D36-N38 VanDerWaalsContact O-N 3.1Å | ||
| 39 | L | 41 | Very low | 52.5 | Low | 69 Ų | 69 | 103.2 Ų | 103.2 | 36% | 0.361 | 51% | 0.51 | S | S | . | . | trans | -87 | 114 | 169 | -86.4 | 161.5 | 0 | 0 | 0 | 110 | F30 Y37 F43 | F30-L39 HydrophobicContact CE1-CD1 3.59Å; F30-L39 HydrophobicContact CZ-CD1 3.59Å; Y37-L39 VanDerWaalsContact C-N 3.32Å; Y37-L39 PolarHBondContact O-N 3.34Å; L39-F43 HydrophobicContact CD2-CD1 4.12Å; L39-F43 HydrophobicContact CD2-CG 4.33Å | ||
| 40 | N | 47.3 | Very low | 52.7 | Low | 112 Ų | 112 | 104.6 Ų | 104.6 | 60% | 0.599 | 51% | 0.511 | S | S | * | . | trans | -52.2 | 144.4 | 177.3 | -71.6 | 4.5 | 0 | 0 | 0 | 112.4 | D42 F43 | N40-D42 PolarHBondContact O-N 3.4Å; N40-F43 PolarHBondContact O-N 2.8Å | ||
| 41 | T | 52.8 | Low | 53.2 | Low | 74 Ų | 74 | 102.8 Ų | 102.8 | 45% | 0.454 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -40.8 | -42.2 | 171.3 | 42.6 | 0 | 0 | 0 | 0 | 113.2 | F43 A44 E45 | T41-F43 PolarHBondContact O-N 2.98Å; T41-F43 VanDerWaalsContact O-N 3.07Å; T41-A44 PolarHBondContact O-N 3.02Å; T41-E45 PolarHBondContact O-N 3.28Å |
| 42 | D | 52.8 | Low | 53.8 | Low | 98 Ų | 98 | 101.8 Ų | 101.8 | 52% | 0.524 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -53 | -32.2 | -179.3 | -46.4 | -4.8 | 0 | 0 | 0 | 113.2 | N40 M46 | N40-D42 PolarHBondContact O-N 3.4Å; D42-M46 WeakPolarHBondContact O-CB 3.4Å; D42-M46 PolarHBondContact O-N 3.4Å |
| 43 | F | 57.7 | Low | 54.6 | Low | 98 Ų | 98 | 99.3 Ų | 99.3 | 43% | 0.43 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -79.4 | -37.2 | -179.6 | -159.6 | -100.9 | 0 | 0 | 0 | 111.9 | L39 N40 T41 I47 | L39-F43 HydrophobicContact CD2-CD1 4.12Å; L39-F43 HydrophobicContact CD2-CG 4.33Å; N40-F43 PolarHBondContact O-N 2.8Å; T41-F43 PolarHBondContact O-N 2.98Å; T41-F43 VanDerWaalsContact O-N 3.07Å; F43-I47 HydrophobicContact CD1-CD1 3.82Å; F43-I47 HydrophobicContact CE1-CD1 3.63Å; F43-I47 HydrophobicContact CZ-CD1 4.41Å; F43-I47 WeakPolarHBondContact O-CG1 3.13Å; F43-I47 PolarHBondContact O-N 3.07Å; F43-I47 VanDerWaalsContact O-N 3.08Å |
| 44 | A | 56 | Low | 55.4 | Low | 27 Ų | 27 | 90.5 Ų | 90.5 | 22% | 0.223 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -68.4 | -42.1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | T41 I47 T48 | T41-A44 PolarHBondContact O-N 3.02Å; A44-I47 PolarHBondContact O-N 2.98Å; A44-T48 WeakPolarHBondContact O-CB 3.38Å; A44-T48 PolarHBondContact O-N 3.3Å; A44-T48 PolarHBondContact O-OG1 2.86Å |
| 45 | E | 59.1 | Low | 56.4 | Low | 108 Ų | 108 | 83.1 Ų | 83.1 | 51% | 0.505 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -63.4 | -46 | 173.4 | -71.8 | -160.6 | 157 | 0 | 0 | 111.7 | T41 I47 T48 Y49 | T41-E45 PolarHBondContact O-N 3.28Å; E45-I47 VanDerWaalsContact C-N 3.32Å; E45-I47 PolarHBondContact O-N 3.09Å; E45-T48 WeakPolarHBondContact O-CB 3.45Å; E45-T48 PolarHBondContact O-N 3.47Å; E45-T48 VanDerWaalsContact O-N 3.12Å; E45-Y49 WeakPolarHBondContact O-CB 3.4Å; E45-Y49 PolarHBondContact O-N 3.39Å |
| 46 | M | 63.2 | Low | 57.3 | Low | 125 Ų | 125 | 78.8 Ų | 78.8 | 62% | 0.616 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -59.7 | -41.7 | 178 | -172 | -177.1 | -56.9 | 0 | 0 | 111.8 | D42 F50 | D42-M46 WeakPolarHBondContact O-CB 3.4Å; D42-M46 PolarHBondContact O-N 3.4Å; M46-F50 WeakPolarHBondContact O-CB 3.37Å; M46-F50 PolarHBondContact O-N 3.09Å |
| 47 | I | 61.6 | Low | 58.2 | Low | 28 Ų | 28 | 74.1 Ų | 74.1 | 14% | 0.144 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -66.3 | -42.8 | 174.3 | -71.3 | 172.6 | 0 | 0 | 0 | 111 | M26 F43 A44 E45 F50 I51 M92 I115 | M26-I47 HydrophobicContact SD-CD1 4.49Å; F43-I47 HydrophobicContact CD1-CD1 3.82Å; F43-I47 HydrophobicContact CE1-CD1 3.63Å; F43-I47 HydrophobicContact CZ-CD1 4.41Å; F43-I47 WeakPolarHBondContact O-CG1 3.13Å; F43-I47 PolarHBondContact O-N 3.07Å; F43-I47 VanDerWaalsContact O-N 3.08Å; A44-I47 PolarHBondContact O-N 2.98Å; E45-I47 VanDerWaalsContact C-N 3.32Å; E45-I47 PolarHBondContact O-N 3.09Å; I47-F50 PolarHBondContact O-N 3.17Å; I47-I51 HydrophobicContact CG2-CD1 3.65Å; I47-I51 HydrophobicContact CG2-CG1 4.37Å; I47-I51 WeakPolarHBondContact O-CB 3.38Å; I47-I51 WeakPolarHBondContact O-CG1 3.45Å; I47-I51 PolarHBondContact O-N 3.45Å; I47-M92 HydrophobicContact CG2-CE 3.76Å; I47-I115 HydrophobicContact CG2-CD1 4.18Å |
| 48 | T | 63.1 | Low | 59.1 | Low | 21 Ų | 21 | 68.5 Ų | 68.5 | 13% | 0.129 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -59.9 | -50.3 | 177.3 | -57.4 | 0 | 0 | 0 | 0 | 111.3 | A44 E45 F50 I51 S52 L114 I115 | A44-T48 WeakPolarHBondContact O-CB 3.38Å; A44-T48 PolarHBondContact O-N 3.3Å; A44-T48 PolarHBondContact O-OG1 2.86Å; E45-T48 WeakPolarHBondContact O-CB 3.45Å; E45-T48 PolarHBondContact O-N 3.47Å; E45-T48 VanDerWaalsContact O-N 3.12Å; T48-F50 PolarHBondContact O-N 3.36Å; T48-I51 PolarHBondContact O-N 3.11Å; T48-S52 VanDerWaalsContact O-CB 3.22Å; T48-S52 WeakPolarHBondContact O-CB 3.06Å; T48-S52 PolarHBondContact O-N 2.96Å; T48-L114 HydrophobicContact CG2-CD2 4.5Å; T48-I115 HydrophobicContact CG2-CG1 4.2Å; T48-I115 WeakPolarHBondContact OG1-CD1 3.34Å |
| 49 | Y | 65.4 | Low | 59.9 | Low | 191 Ų | 191 | 63.9 Ų | 63.9 | 75% | 0.749 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -65.2 | -40.3 | -180 | -133.4 | -75.8 | 0 | 0 | 0 | 111.8 | E45 S53 | E45-Y49 WeakPolarHBondContact O-CB 3.4Å; E45-Y49 PolarHBondContact O-N 3.39Å; Y49-S53 WeakPolarHBondContact O-CB 3.17Å; Y49-S53 PolarHBondContact O-N 3.31Å |
| 50 | F | 66.2 | Low | 60.8 | Low | 94 Ų | 94 | 65.1 Ų | 65.1 | 41% | 0.412 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -69.6 | -41.9 | 179.5 | -170.3 | -100.8 | 0 | 0 | 0 | 112.1 | M1 I22 M46 I47 T48 I54 | M1-F50 HydrophobicContact CE-CE2 4.2Å; M1-F50 HydrophobicContact CE-CZ 4.39Å; I22-F50 HydrophobicContact CD1-CE1 3.78Å; M46-F50 WeakPolarHBondContact O-CB 3.37Å; M46-F50 PolarHBondContact O-N 3.09Å; I47-F50 PolarHBondContact O-N 3.17Å; T48-F50 PolarHBondContact O-N 3.36Å; F50-I54 HydrophobicContact CD1-CD1 3.73Å; F50-I54 HydrophobicContact CE1-CD1 3.39Å; F50-I54 HydrophobicContact CG-CD1 4.49Å; F50-I54 HydrophobicContact CZ-CD1 3.9Å; F50-I54 WeakPolarHBondContact O-CB 3.3Å; F50-I54 VanDerWaalsContact O-CG1 3.31Å; F50-I54 WeakPolarHBondContact O-CG1 3.18Å; F50-I54 PolarHBondContact O-N 3.45Å |
| 51 | I | 64.2 | Low | 61.5 | Low | 16 Ų | 16 | 62 Ų | 62 | 8% | 0.082 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -69.3 | -44.1 | 175.4 | -67.4 | 173 | 0 | 0 | 0 | 110.8 | I47 T48 S53 I54 V55 M92 I115 I119 | I47-I51 HydrophobicContact CG2-CD1 3.65Å; I47-I51 HydrophobicContact CG2-CG1 4.37Å; I47-I51 WeakPolarHBondContact O-CB 3.38Å; I47-I51 WeakPolarHBondContact O-CG1 3.45Å; I47-I51 PolarHBondContact O-N 3.45Å; T48-I51 PolarHBondContact O-N 3.11Å; I51-S53 PolarHBondContact O-N 3.18Å; I51-I54 PolarHBondContact O-N 3.15Å; I51-V55 HydrophobicContact CG2-CG2 4.2Å; I51-V55 WeakPolarHBondContact O-CB 3.42Å; I51-V55 VanDerWaalsContact O-CG2 3.26Å; I51-V55 WeakPolarHBondContact O-CG2 3.29Å; I51-V55 PolarHBondContact O-N 3.22Å; I51-M92 HydrophobicContact CD1-CE 3.83Å; I51-I115 HydrophobicContact CD1-CG2 3.76Å; I51-I115 HydrophobicContact CG2-CG2 4.25Å; I51-I119 HydrophobicContact CG2-CD1 4.3Å; I51-I119 HydrophobicContact CG2-CG1 4.07Å |
| 52 | S | 64 | Low | 61.7 | Low | 30 Ų | 30 | 59 Ų | 59 | 21% | 0.21 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -61.7 | -44.8 | 177.9 | -169 | 0 | 0 | 0 | 0 | 111.6 | T48 I54 V55 D56 | T48-S52 VanDerWaalsContact O-CB 3.22Å; T48-S52 WeakPolarHBondContact O-CB 3.06Å; T48-S52 PolarHBondContact O-N 2.96Å; S52-I54 PolarHBondContact O-N 3.4Å; S52-V55 WeakPolarHBondContact O-CB 3.39Å; S52-V55 PolarHBondContact O-N 3.22Å; S52-D56 PolarHBondContact O-N 3.23Å |
| 53 | S | 65.9 | Low | 61.8 | Low | 52 Ų | 52 | 60.5 Ų | 60.5 | 36% | 0.364 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -63.2 | -36.7 | 174.4 | -172.1 | 0 | 0 | 0 | 0 | 113.1 | Y49 I51 T57 | Y49-S53 WeakPolarHBondContact O-CB 3.17Å; Y49-S53 PolarHBondContact O-N 3.31Å; I51-S53 PolarHBondContact O-N 3.18Å; S53-T57 WeakPolarHBondContact O-CB 3.48Å; S53-T57 VanDerWaalsContact O-CG2 3.32Å; S53-T57 WeakPolarHBondContact O-CG2 3.44Å; S53-T57 PolarHBondContact O-N 3.28Å; S53-T57 VanDerWaalsContact O-N 3.07Å; S53-T57 PolarHBondContact O-OG1 2.86Å |
| 54 | I | 64.3 | Low | 61.6 | Low | 17 Ų | 17 | 63.5 Ų | 63.5 | 9% | 0.087 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -65.3 | -40.8 | 170.4 | -76.9 | 172.7 | 0 | 0 | 0 | 111 | M1 L18 F50 I51 S52 T57 V58 | M1-I54 HydrophobicContact CE-CD1 4.17Å; M1-I54 HydrophobicContact CE-CG1 3.66Å; L18-I54 HydrophobicContact CD2-CD1 4.35Å; F50-I54 HydrophobicContact CD1-CD1 3.73Å; F50-I54 HydrophobicContact CE1-CD1 3.39Å; F50-I54 HydrophobicContact CG-CD1 4.49Å; F50-I54 HydrophobicContact CZ-CD1 3.9Å; F50-I54 WeakPolarHBondContact O-CB 3.3Å; F50-I54 VanDerWaalsContact O-CG1 3.31Å; F50-I54 WeakPolarHBondContact O-CG1 3.18Å; F50-I54 PolarHBondContact O-N 3.45Å; I51-I54 PolarHBondContact O-N 3.15Å; S52-I54 PolarHBondContact O-N 3.4Å; I54-T57 WeakPolarHBondContact CA-OG1 3.13Å; I54-T57 PolarHBondContact O-OG1 3.22Å; I54-V58 HydrophobicContact CG2-CG2 4.15Å; I54-V58 VanDerWaalsContact O-CB 3.27Å; I54-V58 WeakPolarHBondContact O-CB 3.16Å; I54-V58 VanDerWaalsContact O-CG2 3.23Å; I54-V58 WeakPolarHBondContact O-CG2 3.5Å; I54-V58 PolarHBondContact O-N 3.04Å |
| 55 | V | 64.8 | Low | 61.4 | Low | 4 Ų | 4 | 63.3 Ų | 63.3 | 2% | 0.024 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -63.2 | -48.4 | -177.6 | 163 | 0 | 0 | 0 | 0 | 111.3 | I51 S52 R59 H118 L122 | I51-V55 HydrophobicContact CG2-CG2 4.2Å; I51-V55 WeakPolarHBondContact O-CB 3.42Å; I51-V55 VanDerWaalsContact O-CG2 3.26Å; I51-V55 WeakPolarHBondContact O-CG2 3.29Å; I51-V55 PolarHBondContact O-N 3.22Å; S52-V55 WeakPolarHBondContact O-CB 3.39Å; S52-V55 PolarHBondContact O-N 3.22Å; V55-R59 WeakPolarHBondContact O-CB 3.37Å; V55-R59 PolarHBondContact O-N 3.45Å; V55-H118 HydrophobicContact CG1-CB 4.4Å; V55-H118 HydrophobicContact CG2-CB 4.22Å; V55-L122 HydrophobicContact CB-CD1 4.08Å; V55-L122 HydrophobicContact CG1-CB 4.2Å; V55-L122 HydrophobicContact CG1-CD1 4.2Å; V55-L122 HydrophobicContact CG2-CB 4.16Å; V55-L122 HydrophobicContact CG2-CD1 3.84Å |
| 56 | D | 61.7 | Low | 60.8 | Low | 70 Ų | 70 | 61.2 Ų | 61.2 | 37% | 0.374 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -73.4 | -37 | 178.8 | -74.5 | -34.7 | 0 | 0 | 0 | 113 | S52 R59 E60 | S52-D56 PolarHBondContact O-N 3.23Å; D56-R59 WeakPolarHBondContact O-CB 3.35Å; D56-R59 PolarHBondContact O-N 2.94Å; D56-R59 IonicContact OD1-CZ 2.9Å; D56-R59 IonicContact OD1-NE 2.87Å; D56-R59 IonicContact OD1-NH1 2.75Å; D56-R59 PolarHBondContact OD1-NH1 3.33Å; D56-E60 PolarHBondContact O-N 3.37Å |
| 57 | T | 61.7 | Low | 60 | Low | 51 Ų | 51 | 59.6 Ų | 59.6 | 31% | 0.313 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -66.5 | -38.8 | 175.1 | 52.1 | 0 | 0 | 0 | 0 | 112.6 | S53 I54 I61 | S53-T57 WeakPolarHBondContact O-CB 3.48Å; S53-T57 VanDerWaalsContact O-CG2 3.32Å; S53-T57 WeakPolarHBondContact O-CG2 3.44Å; S53-T57 PolarHBondContact O-N 3.28Å; S53-T57 VanDerWaalsContact O-N 3.07Å; S53-T57 PolarHBondContact O-OG1 2.86Å; I54-T57 WeakPolarHBondContact CA-OG1 3.13Å; I54-T57 PolarHBondContact O-OG1 3.22Å; T57-I61 VanDerWaalsContact O-CB 3.31Å; T57-I61 WeakPolarHBondContact O-CB 3.19Å; T57-I61 WeakPolarHBondContact O-CD1 3.42Å; T57-I61 WeakPolarHBondContact O-CG1 3.34Å; T57-I61 PolarHBondContact O-N 2.77Å |
| 58 | V | 62.7 | Low | 59.1 | Low | 8 Ų | 8 | 68.2 Ų | 68.2 | 5% | 0.048 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -68.8 | -36.8 | 174.5 | 171.3 | 0 | 0 | 0 | 0 | 111.4 | L15 I54 L62 L81 L122 | L15-V58 HydrophobicContact CD1-CG2 4Å; L15-V58 HydrophobicContact CD2-CG2 3.91Å; I54-V58 HydrophobicContact CG2-CG2 4.15Å; I54-V58 VanDerWaalsContact O-CB 3.27Å; I54-V58 WeakPolarHBondContact O-CB 3.16Å; I54-V58 VanDerWaalsContact O-CG2 3.23Å; I54-V58 WeakPolarHBondContact O-CG2 3.5Å; I54-V58 PolarHBondContact O-N 3.04Å; V58-L62 HydrophobicContact CG1-CD1 3.77Å; V58-L62 HydrophobicContact CG1-CG 4.4Å; V58-L62 WeakPolarHBondContact O-CB 3.44Å; V58-L62 WeakPolarHBondContact O-CD1 3.47Å; V58-L62 VanDerWaalsContact O-CG 3.3Å; V58-L62 WeakPolarHBondContact O-CG 3.25Å; V58-L62 PolarHBondContact O-N 3.42Å; V58-L81 HydrophobicContact CG1-CD2 4.48Å; V58-L122 HydrophobicContact CB-CD1 3.96Å; V58-L122 HydrophobicContact CG1-CD1 3.91Å |
| 59 | R | 62.2 | Low | 58 | Low | 49 Ų | 49 | 69.2 Ų | 69.2 | 19% | 0.185 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -60.1 | -48.3 | 174.1 | 174.8 | -178.8 | -70.8 | 164.6 | -10.4 | 112.2 | V55 D56 L62 K63 | V55-R59 WeakPolarHBondContact O-CB 3.37Å; V55-R59 PolarHBondContact O-N 3.45Å; D56-R59 WeakPolarHBondContact O-CB 3.35Å; D56-R59 PolarHBondContact O-N 2.94Å; D56-R59 IonicContact OD1-CZ 2.9Å; D56-R59 IonicContact OD1-NE 2.87Å; D56-R59 IonicContact OD1-NH1 2.75Å; D56-R59 PolarHBondContact OD1-NH1 3.33Å; R59-L62 PolarHBondContact O-N 3.3Å; R59-K63 PolarHBondContact O-N 3.11Å; R59-K63 VanDerWaalsContact O-N 3.12Å |
| 60 | E | 61.2 | Low | 56.8 | Low | 94 Ų | 94 | 65.7 Ų | 65.7 | 44% | 0.439 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -70.6 | -39.5 | 177.3 | -63.8 | -46.7 | 112.4 | 0 | 0 | 112.7 | D56 L62 K63 F64 | D56-E60 PolarHBondContact O-N 3.37Å; E60-L62 VanDerWaalsContact C-N 3.29Å; E60-L62 PolarHBondContact O-N 3.2Å; E60-K63 WeakPolarHBondContact O-CB 3.38Å; E60-K63 PolarHBondContact O-N 3.5Å; E60-K63 VanDerWaalsContact OE1-CE 3.26Å; E60-K63 WeakPolarHBondContact OE1-CE 3.21Å; E60-K63 IonicContact OE1-NZ 3.26Å; E60-K63 PolarHBondContact OE1-NZ 3.47Å; E60-K63 WeakPolarHBondContact OE2-CD 3.42Å; E60-K63 IonicContact OE2-NZ 2.71Å; E60-K63 PolarHBondContact OE2-NZ 2.72Å; E60-F64 PolarHBondContact O-N 3.37Å; E60-F64 VanDerWaalsContact O-N 3.07Å |
| 61 | I | 60.5 | Low | 56.1 | Low | 46 Ų | 46 | 68 Ų | 68 | 24% | 0.236 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -60.8 | -39 | 175.1 | -73 | 166.6 | 0 | 0 | 0 | 111 | L6 T57 F64 L65 | L6-I61 HydrophobicContact CD1-CG1 4.46Å; T57-I61 VanDerWaalsContact O-CB 3.31Å; T57-I61 WeakPolarHBondContact O-CB 3.19Å; T57-I61 WeakPolarHBondContact O-CD1 3.42Å; T57-I61 WeakPolarHBondContact O-CG1 3.34Å; T57-I61 PolarHBondContact O-N 2.77Å; I61-F64 PolarHBondContact O-N 2.8Å; I61-L65 HydrophobicContact CG2-CD1 3.67Å; I61-L65 HydrophobicContact CG2-CG 4.32Å; I61-L65 WeakPolarHBondContact O-CG 3.47Å; I61-L65 PolarHBondContact O-N 3.06Å |
| 62 | L | 58.3 | Low | 55.6 | Low | 13 Ų | 13 | 72.7 Ų | 72.7 | 7% | 0.068 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -67.7 | -43.7 | 175.9 | -76.6 | 165 | 0 | 0 | 0 | 112.2 | V58 R59 E60 F64 L65 L66 V126 V129 | V58-L62 HydrophobicContact CG1-CD1 3.77Å; V58-L62 HydrophobicContact CG1-CG 4.4Å; V58-L62 WeakPolarHBondContact O-CB 3.44Å; V58-L62 WeakPolarHBondContact O-CD1 3.47Å; V58-L62 VanDerWaalsContact O-CG 3.3Å; V58-L62 WeakPolarHBondContact O-CG 3.25Å; V58-L62 PolarHBondContact O-N 3.42Å; R59-L62 PolarHBondContact O-N 3.3Å; E60-L62 VanDerWaalsContact C-N 3.29Å; E60-L62 PolarHBondContact O-N 3.2Å; L62-F64 PolarHBondContact O-N 3.41Å; L62-L65 PolarHBondContact O-N 2.99Å; L62-L66 WeakPolarHBondContact O-CD1 3.33Å; L62-L66 WeakPolarHBondContact O-CG 3.37Å; L62-L66 PolarHBondContact O-N 3.44Å; L62-V126 HydrophobicContact CD1-CG2 3.69Å; L62-V129 HydrophobicContact CD2-CG1 4.36Å |
| 63 | K | 53.9 | Low | 55.2 | Low | 129 Ų | 129 | 76.5 Ų | 76.5 | 56% | 0.561 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -52.5 | -42.8 | 172 | -72.3 | 174.9 | -177.8 | 170.5 | 0 | 111.6 | R59 E60 | R59-K63 PolarHBondContact O-N 3.11Å; R59-K63 VanDerWaalsContact O-N 3.12Å; E60-K63 WeakPolarHBondContact O-CB 3.38Å; E60-K63 PolarHBondContact O-N 3.5Å; E60-K63 VanDerWaalsContact OE1-CE 3.26Å; E60-K63 WeakPolarHBondContact OE1-CE 3.21Å; E60-K63 IonicContact OE1-NZ 3.26Å; E60-K63 PolarHBondContact OE1-NZ 3.47Å; E60-K63 WeakPolarHBondContact OE2-CD 3.42Å; E60-K63 IonicContact OE2-NZ 2.71Å; E60-K63 PolarHBondContact OE2-NZ 2.72Å |
| 64 | F | 54.5 | Low | 55 | Low | 161 Ų | 161 | 74.8 Ų | 74.8 | 71% | 0.706 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -74.2 | -40.6 | -175 | -150.2 | -93.8 | 0 | 0 | 0 | 113.6 | E60 I61 L62 | E60-F64 PolarHBondContact O-N 3.37Å; E60-F64 VanDerWaalsContact O-N 3.07Å; I61-F64 PolarHBondContact O-N 2.8Å; L62-F64 PolarHBondContact O-N 3.41Å |
| 65 | L | 51 | Low | 55.1 | Low | 22 Ų | 22 | 74.9 Ų | 74.9 | 12% | 0.115 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -70.1 | -31.2 | -178.9 | -75.1 | 169.5 | 0 | 0 | 0 | 113.5 | D8 I12 I61 L62 A67 R68 | D8-L65 HydrophobicContact CB-CD2 3.95Å; D8-L65 VanDerWaalsContact OD1-CD2 3.29Å; D8-L65 WeakPolarHBondContact OD1-CD2 3.35Å; I12-L65 HydrophobicContact CD1-CD1 4.29Å; I12-L65 HydrophobicContact CG1-CD1 4.45Å; I61-L65 HydrophobicContact CG2-CD1 3.67Å; I61-L65 HydrophobicContact CG2-CG 4.32Å; I61-L65 WeakPolarHBondContact O-CG 3.47Å; I61-L65 PolarHBondContact O-N 3.06Å; L62-L65 PolarHBondContact O-N 2.99Å; L65-A67 VanDerWaalsContact C-N 3.25Å; L65-A67 PolarHBondContact O-N 3.44Å; L65-R68 PolarHBondContact O-N 2.91Å |
| 66 | L | 45.6 | Very low | 55.3 | Low | 64 Ų | 64 | 78.6 Ų | 78.6 | 34% | 0.335 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -21.6 | -174.9 | -66.7 | 161.7 | 0 | 0 | 0 | 114 | L62 R68 V129 V133 | L62-L66 WeakPolarHBondContact O-CD1 3.33Å; L62-L66 WeakPolarHBondContact O-CG 3.37Å; L62-L66 PolarHBondContact O-N 3.44Å; L66-R68 PolarHBondContact O-N 2.92Å; L66-V129 HydrophobicContact CD1-CB 4.01Å; L66-V129 HydrophobicContact CD1-CG1 3.38Å; L66-V129 HydrophobicContact CD1-CG2 3.55Å; L66-V129 HydrophobicContact CD2-CG1 3.54Å; L66-V129 HydrophobicContact CG-CG1 3.95Å; L66-V133 HydrophobicContact CD2-CG2 3.66Å |
| 67 | A | 46.8 | Very low | 55.7 | Low | 92 Ų | 92 | 76.4 Ų | 76.4 | 76% | 0.76 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.4 | -5.6 | 175 | 0 | 0 | 0 | 0 | 0 | 113.6 | L65 | L65-A67 VanDerWaalsContact C-N 3.25Å; L65-A67 PolarHBondContact O-N 3.44Å |
| 68 | R | 42.6 | Very low | 56.2 | Low | 209 Ų | 209 | 74.8 Ų | 74.8 | 79% | 0.789 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -133.7 | -18.3 | -168 | -102.5 | 179.7 | 170.6 | 160.8 | -0.3 | 118 | L65 L66 | L65-R68 PolarHBondContact O-N 2.91Å; L66-R68 PolarHBondContact O-N 2.92Å |
| 69 | C | 41.3 | Very low | 56.7 | Low | 42 Ų | 42 | 75 Ų | 75 | 28% | 0.284 | 38% | 0.377 | S | S | . | . | trans | -103.4 | 116.6 | -168 | -65.1 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 70 | S | 40 | Very low | 57.3 | Low | 116 Ų | 116 | 78.4 Ų | 78.4 | 81% | 0.811 | 39% | 0.393 | S | S | * | . | trans | -108.7 | 17 | 179.9 | 57.3 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 71 | Q | 50.1 | Low | 58.1 | Low | 143 Ų | 143 | 74.2 Ų | 74.2 | 67% | 0.668 | 37% | 0.374 | S | S | * | . | S | Bend | trans | -124.9 | 140.5 | -169.2 | -66.3 | -168.7 | -4 | 0 | 0 | 115.8 | L73 C74 | Q71-L73 PolarHBondContact O-N 3.14Å; Q71-C74 PolarHBondContact O-N 3.35Å |
| 72 | Y | 54 | Low | 58.8 | Low | 115 Ų | 115 | 72 Ų | 72 | 45% | 0.451 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.8 | -26.7 | -177.3 | -156.4 | -99.8 | 0 | 0 | 0 | 115.1 | C74 I75 Q139 | Y72-C74 VanDerWaalsContact C-N 3.31Å; Y72-C74 PolarHBondContact O-N 2.99Å; Y72-I75 PolarHBondContact O-N 3.21Å; Y72-Q139 PolarHBondContact OH-OE1 3.33Å |
| 73 | L | 55.5 | Low | 59.8 | Low | 109 Ų | 109 | 76.2 Ų | 76.2 | 57% | 0.571 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -63.9 | -33.1 | -178.8 | -125 | 81.2 | 0 | 0 | 0 | 113.1 | Q71 I75 N76 L77 | Q71-L73 PolarHBondContact O-N 3.14Å; L73-I75 PolarHBondContact O-N 2.99Å; L73-N76 PolarHBondContact O-N 2.96Å; L73-L77 PolarHBondContact O-N 3.3Å |
| 74 | C | 63 | Low | 60.8 | Low | 17 Ų | 17 | 70.5 Ų | 70.5 | 12% | 0.115 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -65.7 | -37.8 | 179.6 | -73.5 | 0 | 0 | 0 | 0 | 112.4 | H9 Q71 Y72 N76 L77 I78 | H9-C74 VanDerWaalsContact CE1-SG 3.5Å; Q71-C74 PolarHBondContact O-N 3.35Å; Y72-C74 VanDerWaalsContact C-N 3.31Å; Y72-C74 PolarHBondContact O-N 2.99Å; C74-N76 VanDerWaalsContact C-N 3.3Å; C74-N76 PolarHBondContact O-N 3.11Å; C74-L77 PolarHBondContact O-N 3.12Å; C74-I78 WeakPolarHBondContact O-CG1 3.36Å; C74-I78 PolarHBondContact O-N 3.29Å |
| 75 | I | 65 | Low | 61.9 | Low | 19 Ų | 19 | 63.4 Ų | 63.4 | 10% | 0.097 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -57.5 | -45.6 | 179.5 | -67.1 | 171.1 | 0 | 0 | 0 | 110.4 | Y72 L73 L77 I78 V79 F141 | Y72-I75 PolarHBondContact O-N 3.21Å; L73-I75 PolarHBondContact O-N 2.99Å; I75-L77 VanDerWaalsContact C-N 3.26Å; I75-L77 PolarHBondContact O-N 3.47Å; I75-I78 PolarHBondContact O-N 3.29Å; I75-V79 WeakPolarHBondContact O-CB 3.46Å; I75-V79 WeakPolarHBondContact O-CG2 3.39Å; I75-V79 PolarHBondContact O-N 3.02Å; I75-F141 HydrophobicContact CG2-CD2 4.08Å; I75-F141 HydrophobicContact CG2-CE2 3.81Å |
| 76 | N | 68.8 | Low | 63.1 | Low | 82 Ų | 82 | 62.5 Ų | 62.5 | 44% | 0.439 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -65.6 | -25.3 | 178.7 | -112.5 | -58.9 | 0 | 0 | 0 | 113.9 | L73 C74 K80 | L73-N76 PolarHBondContact O-N 2.96Å; C74-N76 VanDerWaalsContact C-N 3.3Å; C74-N76 PolarHBondContact O-N 3.11Å; N76-K80 WeakPolarHBondContact O-CD 3.41Å; N76-K80 WeakPolarHBondContact O-CG 2.86Å; N76-K80 PolarHBondContact O-N 3.47Å |
| 77 | L | 71.3 | Confident | 64.5 | Low | 23 Ų | 23 | 63.1 Ų | 63.1 | 12% | 0.12 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -83.2 | -39.8 | 174.7 | -70.1 | 168.7 | 0 | 0 | 0 | 111.7 | H9 I12 K13 L73 C74 I75 K80 L81 | H9-L77 HydrophobicContact CB-CD1 4.13Å; I12-L77 HydrophobicContact CB-CB 4.31Å; I12-L77 HydrophobicContact CG2-CB 3.88Å; K13-L77 HydrophobicContact CB-CD2 4.29Å; K13-L77 HydrophobicContact CG-CD2 4.4Å; L73-L77 PolarHBondContact O-N 3.3Å; C74-L77 PolarHBondContact O-N 3.12Å; I75-L77 VanDerWaalsContact C-N 3.26Å; I75-L77 PolarHBondContact O-N 3.47Å; L77-K80 PolarHBondContact O-N 3.1Å; L77-L81 PolarHBondContact O-N 3.41Å |
| 78 | I | 72.4 | Confident | 65.9 | Low | 18 Ų | 18 | 59.3 Ų | 59.3 | 9% | 0.092 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -62.3 | -44.8 | 174.4 | -67.7 | 165.9 | 0 | 0 | 0 | 110.6 | C74 I75 K80 L81 I82 V126 F141 | C74-I78 WeakPolarHBondContact O-CG1 3.36Å; C74-I78 PolarHBondContact O-N 3.29Å; I75-I78 PolarHBondContact O-N 3.29Å; I78-K80 VanDerWaalsContact C-N 3.31Å; I78-K80 PolarHBondContact O-N 2.93Å; I78-L81 WeakPolarHBondContact O-CB 3.23Å; I78-L81 PolarHBondContact O-N 3.36Å; I78-L81 VanDerWaalsContact O-N 3.11Å; I78-I82 HydrophobicContact CG2-CD1 4.01Å; I78-I82 WeakPolarHBondContact O-CG1 3.45Å; I78-I82 PolarHBondContact O-N 3.49Å; I78-V126 HydrophobicContact CG2-CG1 3.9Å; I78-F141 HydrophobicContact CG2-CZ 4.15Å |
| 79 | V | 73.2 | Confident | 67.1 | Low | 13 Ų | 13 | 49.5 Ų | 49.5 | 8% | 0.079 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -57.4 | -43.3 | 173.1 | 166.3 | 0 | 0 | 0 | 0 | 111.2 | I75 L81 I82 R83 F141 A144 | I75-V79 WeakPolarHBondContact O-CB 3.46Å; I75-V79 WeakPolarHBondContact O-CG2 3.39Å; I75-V79 PolarHBondContact O-N 3.02Å; V79-L81 VanDerWaalsContact C-N 3.33Å; V79-L81 PolarHBondContact O-N 2.81Å; V79-I82 PolarHBondContact O-N 2.89Å; V79-R83 VanDerWaalsContact O-CG 3.27Å; V79-R83 WeakPolarHBondContact O-CG 3.46Å; V79-R83 PolarHBondContact O-N 3.34Å; V79-R83 VanDerWaalsContact O-N 3.08Å; V79-F141 HydrophobicContact CG2-CD1 4.27Å; V79-F141 HydrophobicContact CG2-CD2 4.34Å; V79-F141 HydrophobicContact CG2-CE1 4.35Å; V79-F141 HydrophobicContact CG2-CE2 4.43Å; V79-F141 HydrophobicContact CG2-CG 4.25Å; V79-F141 HydrophobicContact CG2-CZ 4.41Å; V79-A144 HydrophobicContact CG1-CB 4.4Å |
| 80 | K | 75.3 | Confident | 68.5 | Low | 119 Ų | 119 | 50.1 Ų | 50.1 | 52% | 0.517 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -66.3 | -32 | 176.3 | -75.8 | 171.8 | -176.4 | 173 | 0 | 113.4 | S16 N76 L77 I78 S84 | S16-K80 PolarHBondContact OG-O 3.33Å; N76-K80 WeakPolarHBondContact O-CD 3.41Å; N76-K80 WeakPolarHBondContact O-CG 2.86Å; N76-K80 PolarHBondContact O-N 3.47Å; L77-K80 PolarHBondContact O-N 3.1Å; I78-K80 VanDerWaalsContact C-N 3.31Å; I78-K80 PolarHBondContact O-N 2.93Å; K80-S84 PolarHBondContact O-N 3.45Å; K80-S84 VanDerWaalsContact O-N 3.12Å; K80-S84 PolarHBondContact O-OG 3.18Å |
| 81 | L | 77.6 | Confident | 70 | Confident | 7 Ų | 7 | 45.1 Ų | 45.1 | 4% | 0.037 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -68.5 | -49.5 | 174.3 | -170 | 74.2 | 0 | 0 | 0 | 111.3 | I12 L15 V58 L77 I78 V79 R83 S84 L85 | I12-L81 HydrophobicContact CG2-CB 4.34Å; L15-L81 HydrophobicContact CB-CD1 3.86Å; V58-L81 HydrophobicContact CG1-CD2 4.48Å; L77-L81 PolarHBondContact O-N 3.41Å; I78-L81 WeakPolarHBondContact O-CB 3.23Å; I78-L81 PolarHBondContact O-N 3.36Å; I78-L81 VanDerWaalsContact O-N 3.11Å; V79-L81 VanDerWaalsContact C-N 3.33Å; V79-L81 PolarHBondContact O-N 2.81Å; L81-R83 VanDerWaalsContact C-N 3.32Å; L81-R83 PolarHBondContact O-N 3.12Å; L81-S84 PolarHBondContact O-N 2.88Å; L81-S84 VanDerWaalsContact O-N 3.16Å; L81-S84 PolarHBondContact O-OG 3.03Å; L81-L85 HydrophobicContact CG-CD1 4.05Å; L81-L85 WeakPolarHBondContact O-CD1 3.2Å; L81-L85 VanDerWaalsContact O-CG 3.31Å; L81-L85 WeakPolarHBondContact O-CG 3.39Å; L81-L85 PolarHBondContact O-N 3.08Å |
| 82 | I | 74.6 | Confident | 71 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -54 | -50.4 | 176.4 | -66.7 | 162.8 | 0 | 0 | 0 | 110.2 | I78 V79 S84 L85 C86 V126 W127 F141 A144 C148 | I78-I82 HydrophobicContact CG2-CD1 4.01Å; I78-I82 WeakPolarHBondContact O-CG1 3.45Å; I78-I82 PolarHBondContact O-N 3.49Å; V79-I82 PolarHBondContact O-N 2.89Å; I82-S84 VanDerWaalsContact C-N 3.33Å; I82-S84 PolarHBondContact O-N 3.48Å; I82-L85 WeakPolarHBondContact O-CB 2.97Å; I82-L85 PolarHBondContact O-N 3.38Å; I82-C86 PolarHBondContact O-N 3.38Å; I82-C86 PolarHBondContact O-SG 3.1Å; I82-C86 VanDerWaalsContact O-SG 3.41Å; I82-V126 HydrophobicContact CD1-CG1 3.97Å; I82-V126 HydrophobicContact CG1-CB 4.38Å; I82-V126 HydrophobicContact CG1-CG1 3.52Å; I82-W127 HydrophobicContact CD1-CE3 4.07Å; I82-W127 HydrophobicContact CD1-CZ3 4.31Å; I82-F141 HydrophobicContact CD1-CD1 4.46Å; I82-F141 HydrophobicContact CD1-CE1 3.73Å; I82-A144 HydrophobicContact CG2-CB 4.15Å; I82-C148 WeakPolarHBondContact CG2-SG 3.26Å |
| 83 | R | 78.4 | Confident | 71.7 | Confident | 100 Ų | 100 | 34.1 Ų | 34.1 | 38% | 0.377 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -64.7 | -33.5 | -179 | -62.8 | -172.9 | 79.4 | 161.3 | 19.4 | 112.9 | V79 L81 V87 A144 D147 | V79-R83 VanDerWaalsContact O-CG 3.27Å; V79-R83 WeakPolarHBondContact O-CG 3.46Å; V79-R83 PolarHBondContact O-N 3.34Å; V79-R83 VanDerWaalsContact O-N 3.08Å; L81-R83 VanDerWaalsContact C-N 3.32Å; L81-R83 PolarHBondContact O-N 3.12Å; R83-V87 WeakPolarHBondContact O-CG2 3.11Å; R83-V87 PolarHBondContact O-N 3.27Å; R83-A144 HydrophobicContact CG-CB 4.42Å; R83-D147 WeakPolarHBondContact CG-OD2 3.46Å; R83-D147 IonicContact CZ-OD2 3.24Å; R83-D147 IonicContact NE-OD2 2.69Å; R83-D147 PolarHBondContact NE-OD2 3.13Å; R83-D147 IonicContact NH2-OD1 2.76Å; R83-D147 PolarHBondContact NH2-OD1 2.95Å; R83-D147 IonicContact NH2-OD2 3.83Å; R83-D147 PolarHBondContact NH2-OD2 3.2Å |
| 84 | S | 76.7 | Confident | 72.3 | Confident | 9 Ų | 9 | 33.8 Ų | 33.8 | 6% | 0.063 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -73.3 | -30.9 | 175.7 | 68.6 | 0 | 0 | 0 | 0 | 112.9 | T19 K80 L81 I82 V87 L88 | T19-S84 WeakPolarHBondContact OG1-CB 3.3Å; T19-S84 PolarHBondContact OG1-OG 3.15Å; K80-S84 PolarHBondContact O-N 3.45Å; K80-S84 VanDerWaalsContact O-N 3.12Å; K80-S84 PolarHBondContact O-OG 3.18Å; L81-S84 PolarHBondContact O-N 2.88Å; L81-S84 VanDerWaalsContact O-N 3.16Å; L81-S84 PolarHBondContact O-OG 3.03Å; I82-S84 VanDerWaalsContact C-N 3.33Å; I82-S84 PolarHBondContact O-N 3.48Å; S84-V87 PolarHBondContact O-N 2.91Å; S84-L88 PolarHBondContact O-N 3.34Å; S84-L88 VanDerWaalsContact O-N 3.07Å |
| 85 | L | 76.6 | Confident | 72.5 | Confident | 12 Ų | 12 | 33.1 Ų | 33.1 | 6% | 0.063 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -68.6 | -43 | 173.2 | -68.3 | 158.9 | 0 | 0 | 0 | 112 | T19 L81 I82 V87 L88 S89 L122 I123 | T19-L85 HydrophobicContact CG2-CD2 4.09Å; L81-L85 HydrophobicContact CG-CD1 4.05Å; L81-L85 WeakPolarHBondContact O-CD1 3.2Å; L81-L85 VanDerWaalsContact O-CG 3.31Å; L81-L85 WeakPolarHBondContact O-CG 3.39Å; L81-L85 PolarHBondContact O-N 3.08Å; I82-L85 WeakPolarHBondContact O-CB 2.97Å; I82-L85 PolarHBondContact O-N 3.38Å; L85-V87 PolarHBondContact O-N 3.17Å; L85-L88 WeakPolarHBondContact O-CB 3.29Å; L85-L88 PolarHBondContact O-N 3.09Å; L85-S89 PolarHBondContact O-N 3.22Å; L85-S89 PolarHBondContact O-OG 3.13Å; L85-S89 VanDerWaalsContact O-OG 3.11Å; L85-L122 HydrophobicContact CD1-CD2 3.34Å; L85-L122 HydrophobicContact CD2-CD2 4.06Å; L85-L122 HydrophobicContact CG-CD2 4.31Å; L85-I123 HydrophobicContact CB-CD1 4.19Å; L85-I123 HydrophobicContact CB-CG1 4.32Å |
| 86 | C | 75.4 | Confident | 72.6 | Confident | 4 Ų | 4 | 33.4 Ų | 33.4 | 3% | 0.027 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -63.8 | -26.2 | 174.9 | -63.1 | 0 | 0 | 0 | 0 | 113.3 | I82 S89 N90 F151 | I82-C86 PolarHBondContact O-N 3.38Å; I82-C86 PolarHBondContact O-SG 3.1Å; I82-C86 VanDerWaalsContact O-SG 3.41Å; C86-S89 WeakPolarHBondContact CA-OG 3.4Å; C86-S89 PolarHBondContact O-OG 3.37Å; C86-N90 WeakPolarHBondContact O-CB 3.46Å; C86-N90 VanDerWaalsContact O-CG 3.29Å; C86-N90 PolarHBondContact O-N 3.16Å; C86-N90 PolarHBondContact O-ND2 2.84Å; C86-F151 HydrophobicContact CB-CB 4.24Å |
| 87 | V | 75.7 | Confident | 72.5 | Confident | 77 Ų | 77 | 32.8 Ų | 32.8 | 47% | 0.467 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -77.7 | -40.5 | 172.7 | 172.6 | 0 | 0 | 0 | 0 | 111.3 | R83 S84 L85 S91 | R83-V87 WeakPolarHBondContact O-CG2 3.11Å; R83-V87 PolarHBondContact O-N 3.27Å; S84-V87 PolarHBondContact O-N 2.91Å; L85-V87 PolarHBondContact O-N 3.17Å; V87-S91 PolarHBondContact O-N 3.13Å; V87-S91 VanDerWaalsContact O-N 3.14Å; V87-S91 PolarHBondContact O-OG 3.1Å |
| 88 | L | 75.8 | Confident | 72.1 | Confident | 12 Ų | 12 | 33.5 Ų | 33.5 | 6% | 0.063 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -59 | -48.2 | 174.6 | -178.8 | 69.9 | 0 | 0 | 0 | 111.2 | I22 M26 S84 L85 S91 M92 | I22-L88 HydrophobicContact CB-CD1 4.15Å; I22-L88 HydrophobicContact CG2-CD1 3.72Å; M26-L88 HydrophobicContact CE-CD1 3.48Å; M26-L88 VanDerWaalsContact CE-CD1 3.48Å; S84-L88 PolarHBondContact O-N 3.34Å; S84-L88 VanDerWaalsContact O-N 3.07Å; L85-L88 WeakPolarHBondContact O-CB 3.29Å; L85-L88 PolarHBondContact O-N 3.09Å; L88-S91 VanDerWaalsContact O-CB 3.3Å; L88-S91 WeakPolarHBondContact O-CB 3.5Å; L88-S91 PolarHBondContact O-N 3.41Å; L88-M92 WeakPolarHBondContact O-CG 3.45Å; L88-M92 PolarHBondContact O-N 3.5Å |
| 89 | S | 69.2 | Low | 71.5 | Confident | 3 Ų | 3 | 34.9 Ų | 34.9 | 2% | 0.021 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -69.9 | -38.8 | -178.7 | 54.7 | 0 | 0 | 0 | 0 | 113.9 | L85 C86 S91 M92 V93 F151 | L85-S89 PolarHBondContact O-N 3.22Å; L85-S89 PolarHBondContact O-OG 3.13Å; L85-S89 VanDerWaalsContact O-OG 3.11Å; C86-S89 WeakPolarHBondContact CA-OG 3.4Å; C86-S89 PolarHBondContact O-OG 3.37Å; S89-S91 PolarHBondContact O-N 3.15Å; S89-M92 WeakPolarHBondContact O-CA 3.36Å; S89-M92 WeakPolarHBondContact O-CB 3.44Å; S89-M92 PolarHBondContact O-N 3.32Å; S89-V93 WeakPolarHBondContact O-CG2 3.46Å; S89-V93 PolarHBondContact O-N 2.97Å; S89-F151 WeakPolarHBondContact OG-CD2 3.38Å; S89-F151 WeakPolarHBondContact OG-CE2 3.35Å |
| 90 | N | 69.6 | Low | 70.7 | Confident | 55 Ų | 55 | 37.5 Ų | 37.5 | 29% | 0.294 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -59.5 | -32.1 | 170.9 | -79.8 | -38 | 0 | 0 | 0 | 112 | C86 Y94 N154 | C86-N90 WeakPolarHBondContact O-CB 3.46Å; C86-N90 VanDerWaalsContact O-CG 3.29Å; C86-N90 PolarHBondContact O-N 3.16Å; C86-N90 PolarHBondContact O-ND2 2.84Å; N90-Y94 PolarHBondContact O-N 2.88Å; N90-Y94 VanDerWaalsContact O-N 3.17Å; N90-N154 PolarHBondContact OD1-ND2 2.87Å |
| 91 | S | 71.8 | Confident | 69.6 | Low | 10 Ų | 10 | 39.4 Ų | 39.4 | 7% | 0.07 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -69.3 | -39.4 | 173.1 | -46.9 | 0 | 0 | 0 | 0 | 111.6 | V87 L88 S89 Y94 I95 | V87-S91 PolarHBondContact O-N 3.13Å; V87-S91 VanDerWaalsContact O-N 3.14Å; V87-S91 PolarHBondContact O-OG 3.1Å; L88-S91 VanDerWaalsContact O-CB 3.3Å; L88-S91 WeakPolarHBondContact O-CB 3.5Å; L88-S91 PolarHBondContact O-N 3.41Å; S89-S91 PolarHBondContact O-N 3.15Å; S91-Y94 PolarHBondContact O-N 3Å; S91-I95 WeakPolarHBondContact O-CG1 3.23Å; S91-I95 PolarHBondContact O-N 3.29Å |
| 92 | M | 70.9 | Confident | 68.2 | Low | 9 Ų | 9 | 41 Ų | 41 | 4% | 0.044 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -66.5 | -39.9 | 174.7 | -65.9 | -65.6 | -86 | 0 | 0 | 112.7 | M26 I47 I51 L88 S89 Y94 I95 Y96 W112 I115 | M26-M92 HydrophobicContact CE-CG 4Å; M26-M92 HydrophobicContact CE-SD 3.37Å; M26-M92 WeakPolarHBondContact CE-SD 3.23Å; M26-M92 HydrophobicContact SD-SD 3.79Å; I47-M92 HydrophobicContact CG2-CE 3.76Å; I51-M92 HydrophobicContact CD1-CE 3.83Å; L88-M92 WeakPolarHBondContact O-CG 3.45Å; L88-M92 PolarHBondContact O-N 3.5Å; S89-M92 WeakPolarHBondContact O-CA 3.36Å; S89-M92 WeakPolarHBondContact O-CB 3.44Å; S89-M92 PolarHBondContact O-N 3.32Å; M92-Y94 VanDerWaalsContact C-N 3.31Å; M92-Y94 PolarHBondContact O-N 3.35Å; M92-I95 PolarHBondContact O-N 3.33Å; M92-Y96 WeakPolarHBondContact O-CB 3.34Å; M92-Y96 PolarHBondContact O-N 3.23Å; M92-W112 HydrophobicContact CB-CZ3 4.21Å; M92-W112 HydrophobicContact CE-CE3 3.95Å; M92-W112 HydrophobicContact CE-CH2 3.78Å; M92-W112 HydrophobicContact CE-CZ3 3.25Å; M92-W112 HydrophobicContact SD-CH2 4.13Å; M92-W112 HydrophobicContact SD-CZ3 3.74Å; M92-I115 HydrophobicContact CE-CD1 4.06Å; M92-I115 HydrophobicContact CE-CG2 3.81Å |
| 93 | V | 68.3 | Low | 66.8 | Low | 18 Ų | 18 | 48.5 Ų | 48.5 | 11% | 0.109 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -60.5 | -42.2 | 174.1 | 174 | 0 | 0 | 0 | 0 | 110.8 | S89 I95 Y96 V97 L155 A158 I160 | S89-V93 WeakPolarHBondContact O-CG2 3.46Å; S89-V93 PolarHBondContact O-N 2.97Å; V93-I95 PolarHBondContact O-N 3.46Å; V93-Y96 PolarHBondContact O-N 3.32Å; V93-V97 HydrophobicContact CG1-CG2 4.29Å; V93-V97 WeakPolarHBondContact O-CB 3.23Å; V93-V97 VanDerWaalsContact O-CG2 3.28Å; V93-V97 WeakPolarHBondContact O-CG2 3.32Å; V93-V97 PolarHBondContact O-N 3.47Å; V93-L155 HydrophobicContact CG2-CD2 3.47Å; V93-L155 VanDerWaalsContact CG2-CD2 3.47Å; V93-L155 HydrophobicContact CG2-CG 4.43Å; V93-A158 HydrophobicContact CG1-CB 4.14Å; V93-I160 HydrophobicContact CG2-CD1 4.07Å |
| 94 | Y | 68.6 | Low | 65 | Low | 103 Ų | 103 | 47.7 Ų | 47.7 | 40% | 0.404 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -61.1 | -43.2 | 177.2 | -174.6 | -112.5 | 0 | 0 | 0 | 112.2 | Y27 N90 S91 M92 V97 L98 | Y27-Y94 HydrophobicContact CD2-CD1 4.37Å; Y27-Y94 AromaticContact CE2-CD1 3.96Å; Y27-Y94 HydrophobicContact CE2-CD1 3.96Å; Y27-Y94 HydrophobicContact CE2-CE1 4.2Å; N90-Y94 PolarHBondContact O-N 2.88Å; N90-Y94 VanDerWaalsContact O-N 3.17Å; S91-Y94 PolarHBondContact O-N 3Å; M92-Y94 VanDerWaalsContact C-N 3.31Å; M92-Y94 PolarHBondContact O-N 3.35Å; Y94-V97 PolarHBondContact O-N 3.39Å; Y94-L98 HydrophobicContact CD1-CD1 3.98Å; Y94-L98 HydrophobicContact CE1-CD1 3.63Å; Y94-L98 WeakPolarHBondContact O-CG 3.5Å; Y94-L98 PolarHBondContact O-N 2.95Å |
| 95 | I | 67.8 | Low | 63.6 | Low | 2 Ų | 2 | 53 Ų | 53 | 1% | 0.01 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -66 | -46 | 176.2 | -63.7 | 161.8 | 0 | 0 | 0 | 111.3 | M26 F30 S91 M92 V93 V97 L98 Q99 W112 | M26-I95 HydrophobicContact CB-CD1 4.02Å; F30-I95 HydrophobicContact CB-CG1 4.13Å; F30-I95 HydrophobicContact CD1-CG2 4.3Å; F30-I95 HydrophobicContact CD2-CD1 3.51Å; F30-I95 HydrophobicContact CD2-CG1 3.75Å; F30-I95 HydrophobicContact CD2-CG2 4.28Å; F30-I95 HydrophobicContact CE1-CG2 4.12Å; F30-I95 HydrophobicContact CE2-CD1 3.88Å; F30-I95 HydrophobicContact CE2-CG1 4.29Å; F30-I95 HydrophobicContact CE2-CG2 4.11Å; F30-I95 HydrophobicContact CG-CD1 4.19Å; F30-I95 HydrophobicContact CG-CG1 3.91Å; F30-I95 HydrophobicContact CG-CG2 4.39Å; F30-I95 HydrophobicContact CZ-CG2 4.01Å; S91-I95 WeakPolarHBondContact O-CG1 3.23Å; S91-I95 PolarHBondContact O-N 3.29Å; M92-I95 PolarHBondContact O-N 3.33Å; V93-I95 PolarHBondContact O-N 3.46Å; I95-V97 VanDerWaalsContact C-N 3.32Å; I95-V97 PolarHBondContact O-N 2.91Å; I95-L98 WeakPolarHBondContact O-CB 3.37Å; I95-L98 PolarHBondContact O-N 2.99Å; I95-L98 VanDerWaalsContact O-N 3.16Å; I95-Q99 HydrophobicContact CG2-CG 4.5Å; I95-Q99 PolarHBondContact O-N 3.09Å; I95-W112 HydrophobicContact CB-CH2 4.16Å; I95-W112 HydrophobicContact CB-CZ3 4.48Å; I95-W112 HydrophobicContact CG2-CH2 3.58Å; I95-W112 HydrophobicContact CG2-CZ2 4.06Å; I95-W112 HydrophobicContact CG2-CZ3 4.33Å |
| 96 | Y | 67 | Low | 62.4 | Low | 25 Ų | 25 | 59.7 Ų | 59.7 | 10% | 0.098 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -61.5 | -36.5 | 177.5 | 173.3 | -96.7 | 0 | 0 | 0 | 113.1 | M92 V93 N100 W112 A158 I160 | M92-Y96 WeakPolarHBondContact O-CB 3.34Å; M92-Y96 PolarHBondContact O-N 3.23Å; V93-Y96 PolarHBondContact O-N 3.32Å; Y96-N100 WeakPolarHBondContact CE1-ND2 3.25Å; Y96-N100 WeakPolarHBondContact CE2-ND2 3.43Å; Y96-N100 WeakPolarHBondContact O-CB 3.3Å; Y96-N100 PolarHBondContact O-N 3.38Å; Y96-N100 PolarHBondContact O-ND2 2.78Å; Y96-W112 HydrophobicContact CD2-CB 3.65Å; Y96-W112 HydrophobicContact CD2-CD2 4.36Å; Y96-W112 AromaticContact CD2-CG 3.95Å; Y96-W112 HydrophobicContact CD2-CG 3.95Å; Y96-W112 HydrophobicContact CE2-CB 3.96Å; Y96-A158 HydrophobicContact CD1-CB 4.48Å; Y96-A158 HydrophobicContact CE1-CB 4.4Å; Y96-A158 WeakPolarHBondContact CE1-O 3.44Å; Y96-I160 HydrophobicContact CD1-CD1 3.7Å; Y96-I160 HydrophobicContact CD1-CG1 3.99Å; Y96-I160 HydrophobicContact CE1-CD1 4.01Å; Y96-I160 HydrophobicContact CE1-CG1 3.75Å; Y96-I160 HydrophobicContact CG-CD1 4.05Å; Y96-I160 HydrophobicContact CG-CG1 4.47Å |
| 97 | V | 65.6 | Low | 61.2 | Low | 69 Ų | 69 | 67.9 Ų | 67.9 | 42% | 0.418 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -71.5 | -35.8 | 175 | 169.6 | 0 | 0 | 0 | 0 | 111.7 | V93 Y94 I95 | V93-V97 HydrophobicContact CG1-CG2 4.29Å; V93-V97 WeakPolarHBondContact O-CB 3.23Å; V93-V97 VanDerWaalsContact O-CG2 3.28Å; V93-V97 WeakPolarHBondContact O-CG2 3.32Å; V93-V97 PolarHBondContact O-N 3.47Å; Y94-V97 PolarHBondContact O-N 3.39Å; I95-V97 VanDerWaalsContact C-N 3.32Å; I95-V97 PolarHBondContact O-N 2.91Å |
| 98 | L | 64 | Low | 60.2 | Low | 39 Ų | 39 | 67.7 Ų | 67.7 | 20% | 0.204 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -65.8 | -46.4 | 172.2 | -76 | 167 | 0 | 0 | 0 | 111.7 | Y94 I95 N100 Q101 | Y94-L98 HydrophobicContact CD1-CD1 3.98Å; Y94-L98 HydrophobicContact CE1-CD1 3.63Å; Y94-L98 WeakPolarHBondContact O-CG 3.5Å; Y94-L98 PolarHBondContact O-N 2.95Å; I95-L98 WeakPolarHBondContact O-CB 3.37Å; I95-L98 PolarHBondContact O-N 2.99Å; I95-L98 VanDerWaalsContact O-N 3.16Å; L98-N100 VanDerWaalsContact C-N 3.34Å; L98-N100 PolarHBondContact O-N 2.93Å; L98-Q101 PolarHBondContact O-N 3.17Å; L98-Q101 VanDerWaalsContact O-N 3.15Å |
| 99 | Q | 60.5 | Low | 59.3 | Low | 46 Ų | 46 | 70.5 Ų | 70.5 | 22% | 0.215 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -65.3 | -34.5 | 178.8 | -72.2 | -175.3 | -48.9 | 0 | 0 | 112.8 | I95 Q101 A102 W112 | I95-Q99 HydrophobicContact CG2-CG 4.5Å; I95-Q99 PolarHBondContact O-N 3.09Å; Q99-Q101 PolarHBondContact O-N 2.94Å; Q99-Q101 VanDerWaalsContact O-N 3.13Å; Q99-A102 WeakPolarHBondContact O-CB 3.48Å; Q99-A102 PolarHBondContact O-N 3.44Å; Q99-W112 VanDerWaalsContact OE1-CE2 3.26Å |
| 100 | N | 55.6 | Low | 59.1 | Low | 68 Ų | 68 | 72.3 Ų | 72.3 | 36% | 0.364 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -13.3 | 174.6 | -93.9 | -81.5 | 0 | 0 | 0 | 114.4 | Y96 L98 A102 M109 | Y96-N100 WeakPolarHBondContact CE1-ND2 3.25Å; Y96-N100 WeakPolarHBondContact CE2-ND2 3.43Å; Y96-N100 WeakPolarHBondContact O-CB 3.3Å; Y96-N100 PolarHBondContact O-N 3.38Å; Y96-N100 PolarHBondContact O-ND2 2.78Å; L98-N100 VanDerWaalsContact C-N 3.34Å; L98-N100 PolarHBondContact O-N 2.93Å; N100-A102 VanDerWaalsContact C-N 3.32Å; N100-M109 WeakPolarHBondContact OD1-CE 3.4Å |
| 101 | Q | 52.7 | Low | 58.9 | Low | 160 Ų | 160 | 72.1 Ų | 72.1 | 75% | 0.748 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.7 | -1.5 | 173.6 | -65.4 | -174.5 | -14.1 | 0 | 0 | 113.4 | L98 Q99 | L98-Q101 PolarHBondContact O-N 3.17Å; L98-Q101 VanDerWaalsContact O-N 3.15Å; Q99-Q101 PolarHBondContact O-N 2.94Å; Q99-Q101 VanDerWaalsContact O-N 3.13Å |
| 102 | A | 47 | Very low | 58.6 | Low | 39 Ų | 39 | 73 Ų | 73 | 32% | 0.322 | 38% | 0.378 | S | S | . | . | S | Bend | trans | -109 | 1.7 | -171.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | Y37 Q99 N100 | Y37-A102 HydrophobicContact CD1-CB 3.84Å; Y37-A102 HydrophobicContact CE1-CB 4.26Å; Y37-A102 HydrophobicContact CG-CB 4.39Å; Q99-A102 WeakPolarHBondContact O-CB 3.48Å; Q99-A102 PolarHBondContact O-N 3.44Å; N100-A102 VanDerWaalsContact C-N 3.32Å |
| 103 | N | 45.5 | Very low | 58.5 | Low | 159 Ų | 159 | 75.4 Ų | 75.4 | 85% | 0.85 | 39% | 0.388 | S | S | * | . | trans | 53 | 71.2 | -179.4 | -76.1 | -14.2 | 0 | 0 | 0 | 115 | ||||
| 104 | L | 40.9 | Very low | 58.5 | Low | 82 Ų | 82 | 78.6 Ų | 78.6 | 43% | 0.429 | 40% | 0.404 | S | S | . | . | trans | -116.7 | 169.5 | 171.4 | -78.7 | 169 | 0 | 0 | 0 | 112.9 | ||||
| 105 | N | 47.8 | Very low | 58.5 | Low | 121 Ų | 121 | 73.9 Ų | 73.9 | 65% | 0.647 | 39% | 0.386 | S | S | * | . | trans | -74.5 | 153.9 | -157.9 | -73.6 | -42.9 | 0 | 0 | 0 | 115.1 | E107 E108 | N105-E107 PolarHBondContact O-N 3.14Å; N105-E107 VanDerWaalsContact O-N 3.11Å; N105-E108 PolarHBondContact O-N 3.35Å | ||
| 106 | L | 50.2 | Low | 58.6 | Low | 152 Ų | 152 | 74.1 Ų | 74.1 | 80% | 0.796 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -56.1 | -27.5 | -177.1 | -85.2 | 159.9 | 0 | 0 | 0 | 115 | ||
| 107 | E | 51.3 | Low | 58.9 | Low | 176 Ų | 176 | 76.6 Ų | 76.6 | 82% | 0.822 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -72.9 | -35.8 | -178.8 | -62.5 | -175.3 | 138.4 | 0 | 0 | 112.2 | N105 M109 G110 | N105-E107 PolarHBondContact O-N 3.14Å; N105-E107 VanDerWaalsContact O-N 3.11Å; E107-M109 VanDerWaalsContact C-N 3.33Å; E107-M109 PolarHBondContact O-N 2.99Å; E107-G110 PolarHBondContact O-N 3.49Å; E107-G110 VanDerWaalsContact O-N 3.09Å |
| 108 | E | 54.1 | Low | 59.2 | Low | 73 Ų | 73 | 75.2 Ų | 75.2 | 34% | 0.341 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -68.9 | -31.8 | 178.6 | -63.3 | -177.2 | 153.2 | 0 | 0 | 111.9 | N105 G110 Q111 | N105-E108 PolarHBondContact O-N 3.35Å; E108-G110 PolarHBondContact O-N 3.48Å; E108-Q111 PolarHBondContact O-N 3.27Å |
| 109 | M | 56.8 | Low | 59.6 | Low | 72 Ų | 72 | 73.7 Ų | 73.7 | 36% | 0.355 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -60 | -28 | 172 | -65.4 | -166.2 | -178.4 | 0 | 0 | 112.7 | N100 E107 K113 | N100-M109 WeakPolarHBondContact OD1-CE 3.4Å; E107-M109 VanDerWaalsContact C-N 3.33Å; E107-M109 PolarHBondContact O-N 2.99Å; M109-K113 PolarHBondContact O-N 3.05Å; M109-K113 VanDerWaalsContact O-N 3.13Å |
| 110 | G | 64.8 | Low | 60.3 | Low | 40 Ų | 40 | 71.6 Ų | 71.6 | 41% | 0.412 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -62.7 | -43.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | E107 E108 K113 L114 | E107-G110 PolarHBondContact O-N 3.49Å; E107-G110 VanDerWaalsContact O-N 3.09Å; E108-G110 PolarHBondContact O-N 3.48Å; G110-K113 PolarHBondContact O-N 2.71Å; G110-L114 PolarHBondContact O-N 3.13Å |
| 111 | Q | 65.4 | Low | 61.3 | Low | 52 Ų | 52 | 72.9 Ų | 72.9 | 24% | 0.243 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -65.8 | -42.9 | -179.1 | -61.6 | -167.7 | -0.4 | 0 | 0 | 111.8 | E108 K113 L114 I115 | E108-Q111 PolarHBondContact O-N 3.27Å; Q111-K113 PolarHBondContact O-N 2.73Å; Q111-L114 WeakPolarHBondContact O-CB 3.5Å; Q111-L114 PolarHBondContact O-N 2.93Å; Q111-L114 VanDerWaalsContact O-N 3.15Å; Q111-I115 WeakPolarHBondContact O-CG1 3.26Å; Q111-I115 PolarHBondContact O-N 2.78Å |
| 112 | W | 65.8 | Low | 62.3 | Low | 28 Ų | 28 | 65.4 Ų | 65.4 | 11% | 0.106 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -65 | -37.7 | 176.8 | -74.4 | 95.4 | 0 | 0 | 0 | 113.2 | M92 I95 Y96 Q99 G116 | M92-W112 HydrophobicContact CB-CZ3 4.21Å; M92-W112 HydrophobicContact CE-CE3 3.95Å; M92-W112 HydrophobicContact CE-CH2 3.78Å; M92-W112 HydrophobicContact CE-CZ3 3.25Å; M92-W112 HydrophobicContact SD-CH2 4.13Å; M92-W112 HydrophobicContact SD-CZ3 3.74Å; I95-W112 HydrophobicContact CB-CH2 4.16Å; I95-W112 HydrophobicContact CB-CZ3 4.48Å; I95-W112 HydrophobicContact CG2-CH2 3.58Å; I95-W112 HydrophobicContact CG2-CZ2 4.06Å; I95-W112 HydrophobicContact CG2-CZ3 4.33Å; Y96-W112 HydrophobicContact CD2-CB 3.65Å; Y96-W112 HydrophobicContact CD2-CD2 4.36Å; Y96-W112 AromaticContact CD2-CG 3.95Å; Y96-W112 HydrophobicContact CD2-CG 3.95Å; Y96-W112 HydrophobicContact CE2-CB 3.96Å; Q99-W112 VanDerWaalsContact OE1-CE2 3.26Å; W112-G116 PolarHBondContact O-N 3.37Å; W112-G116 VanDerWaalsContact O-N 3.12Å |
| 113 | K | 68.5 | Low | 63.6 | Low | 60 Ų | 60 | 63.6 Ų | 63.6 | 26% | 0.261 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -60 | -46.1 | 169.2 | -97.3 | -160 | 161.5 | -160 | 0 | 111.7 | M109 G110 Q111 I115 G116 Q117 K159 D162 | M109-K113 PolarHBondContact O-N 3.05Å; M109-K113 VanDerWaalsContact O-N 3.13Å; G110-K113 PolarHBondContact O-N 2.71Å; Q111-K113 PolarHBondContact O-N 2.73Å; K113-I115 PolarHBondContact O-N 2.78Å; K113-G116 PolarHBondContact O-N 3.49Å; K113-Q117 WeakPolarHBondContact O-CG 3.45Å; K113-Q117 PolarHBondContact O-N 2.96Å; K113-K159 WeakPolarHBondContact CE-O 3.38Å; K113-D162 IonicContact NZ-OD1 3.78Å; K113-D162 PolarHBondContact NZ-OD1 2.98Å; K113-D162 IonicContact NZ-OD2 3.38Å; K113-D162 PolarHBondContact NZ-OD2 2.9Å |
| 114 | L | 69.2 | Low | 65.1 | Low | 84 Ų | 84 | 58.7 Ų | 58.7 | 44% | 0.44 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -58.9 | -47.8 | 179.8 | -143.8 | 90.3 | 0 | 0 | 0 | 111.7 | T48 G110 Q111 G116 Q117 H118 | T48-L114 HydrophobicContact CG2-CD2 4.5Å; G110-L114 PolarHBondContact O-N 3.13Å; Q111-L114 WeakPolarHBondContact O-CB 3.5Å; Q111-L114 PolarHBondContact O-N 2.93Å; Q111-L114 VanDerWaalsContact O-N 3.15Å; L114-G116 PolarHBondContact O-N 2.76Å; L114-Q117 PolarHBondContact O-N 3.46Å; L114-H118 PolarHBondContact O-CD2 2.81Å; L114-H118 PolarHBondContact O-N 2.62Å |
| 115 | I | 68.7 | Low | 66.5 | Low | 5 Ų | 5 | 56.7 Ų | 56.7 | 3% | 0.026 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -56.9 | -48.9 | 176.3 | -68.2 | 163.2 | 0 | 0 | 0 | 111 | I47 T48 I51 M92 Q111 K113 Q117 H118 I119 | I47-I115 HydrophobicContact CG2-CD1 4.18Å; T48-I115 HydrophobicContact CG2-CG1 4.2Å; T48-I115 WeakPolarHBondContact OG1-CD1 3.34Å; I51-I115 HydrophobicContact CD1-CG2 3.76Å; I51-I115 HydrophobicContact CG2-CG2 4.25Å; M92-I115 HydrophobicContact CE-CD1 4.06Å; M92-I115 HydrophobicContact CE-CG2 3.81Å; Q111-I115 WeakPolarHBondContact O-CG1 3.26Å; Q111-I115 PolarHBondContact O-N 2.78Å; K113-I115 PolarHBondContact O-N 2.78Å; I115-Q117 PolarHBondContact O-N 3.43Å; I115-H118 PolarHBondContact O-N 2.83Å; I115-I119 HydrophobicContact CG2-CD1 3.8Å; I115-I119 WeakPolarHBondContact O-CG1 3.26Å; I115-I119 PolarHBondContact O-N 2.58Å |
| 116 | G | 69.1 | Low | 67.6 | Low | 6 Ų | 6 | 50.9 Ų | 50.9 | 6% | 0.062 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -63.4 | -39.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | W112 K113 L114 I119 D120 | W112-G116 PolarHBondContact O-N 3.37Å; W112-G116 VanDerWaalsContact O-N 3.12Å; K113-G116 PolarHBondContact O-N 3.49Å; L114-G116 PolarHBondContact O-N 2.76Å; G116-I119 PolarHBondContact O-N 3.08Å; G116-D120 PolarHBondContact O-N 3.4Å |
| 117 | Q | 73 | Confident | 68.7 | Low | 77 Ų | 77 | 43.8 Ų | 43.8 | 36% | 0.36 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -62.8 | -45.9 | 173.2 | -71.3 | 179.4 | 4.7 | 0 | 0 | 111.7 | K113 L114 I115 I119 D120 Q121 | K113-Q117 WeakPolarHBondContact O-CG 3.45Å; K113-Q117 PolarHBondContact O-N 2.96Å; L114-Q117 PolarHBondContact O-N 3.46Å; I115-Q117 PolarHBondContact O-N 3.43Å; Q117-I119 VanDerWaalsContact C-N 3.28Å; Q117-I119 PolarHBondContact O-N 3.12Å; Q117-D120 PolarHBondContact O-N 3.45Å; Q117-Q121 VanDerWaalsContact O-CB 3.23Å; Q117-Q121 WeakPolarHBondContact O-CB 3.03Å; Q117-Q121 PolarHBondContact O-N 3.28Å |
| 118 | H | 73 | Confident | 69.6 | Low | 41 Ų | 41 | 38.3 Ų | 38.3 | 19% | 0.19 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -60 | -36.1 | 176.2 | -78.5 | -65.3 | 0 | 0 | 0 | 112.6 | V55 L114 I115 L122 | V55-H118 HydrophobicContact CG1-CB 4.4Å; V55-H118 HydrophobicContact CG2-CB 4.22Å; L114-H118 PolarHBondContact O-CD2 2.81Å; L114-H118 PolarHBondContact O-N 2.62Å; I115-H118 PolarHBondContact O-N 2.83Å; H118-L122 WeakPolarHBondContact O-CB 3.48Å; H118-L122 PolarHBondContact O-N 3.37Å |
| 119 | I | 71.8 | Confident | 70.1 | Confident | 7 Ų | 7 | 36.1 Ų | 36.1 | 4% | 0.036 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -73.4 | -43.4 | 178.4 | -63.1 | 166.8 | 0 | 0 | 0 | 112.3 | I51 I115 G116 Q117 Q121 L122 I123 F151 | I51-I119 HydrophobicContact CG2-CD1 4.3Å; I51-I119 HydrophobicContact CG2-CG1 4.07Å; I115-I119 HydrophobicContact CG2-CD1 3.8Å; I115-I119 WeakPolarHBondContact O-CG1 3.26Å; I115-I119 PolarHBondContact O-N 2.58Å; G116-I119 PolarHBondContact O-N 3.08Å; Q117-I119 VanDerWaalsContact C-N 3.28Å; Q117-I119 PolarHBondContact O-N 3.12Å; I119-Q121 VanDerWaalsContact C-N 3.34Å; I119-L122 PolarHBondContact O-N 2.74Å; I119-I123 HydrophobicContact CG2-CD1 3.93Å; I119-I123 WeakPolarHBondContact O-CG1 3.37Å; I119-I123 PolarHBondContact O-N 3.37Å; I119-F151 HydrophobicContact CG2-CE2 4.3Å; I119-F151 HydrophobicContact CG2-CZ 4.04Å |
| 120 | D | 75.3 | Confident | 70.4 | Confident | 1 Ų | 1 | 32.8 Ų | 32.8 | 1% | 0.005 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -63.3 | -41.1 | 172.8 | -178.3 | 58.5 | 0 | 0 | 0 | 110.9 | G116 Q117 L122 I123 R124 F151 I161 Y169 | G116-D120 PolarHBondContact O-N 3.4Å; Q117-D120 PolarHBondContact O-N 3.45Å; D120-L122 VanDerWaalsContact C-N 3.32Å; D120-L122 PolarHBondContact O-N 3.49Å; D120-I123 PolarHBondContact O-N 3.47Å; D120-R124 WeakPolarHBondContact O-CB 3.34Å; D120-R124 VanDerWaalsContact O-CG 3.3Å; D120-R124 WeakPolarHBondContact O-CG 3.2Å; D120-R124 PolarHBondContact O-N 2.9Å; D120-R124 IonicContact OD1-NE 2.89Å; D120-R124 IonicContact OD1-NH2 3.87Å; D120-R124 IonicContact OD2-CZ 2.75Å; D120-R124 VanDerWaalsContact OD2-CZ 3.27Å; D120-R124 IonicContact OD2-NE 3.24Å; D120-R124 PolarHBondContact OD2-NE 3.5Å; D120-R124 IonicContact OD2-NH2 3.65Å; D120-R124 PolarHBondContact OD2-NH2 2.75Å; D120-F151 HydrophobicContact CB-CE1 4.38Å; D120-F151 HydrophobicContact CB-CZ 4.25Å; D120-I161 HydrophobicContact CB-CD1 3.84Å; D120-Y169 PolarHBondContact OD1-OH 2.98Å |
| 121 | Q | 75.6 | Confident | 70.3 | Confident | 95 Ų | 95 | 32.5 Ų | 32.5 | 44% | 0.444 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -63.8 | -36.8 | 176.7 | -159.1 | -175.7 | 67 | 0 | 0 | 111.9 | Q117 I119 T125 | Q117-Q121 VanDerWaalsContact O-CB 3.23Å; Q117-Q121 WeakPolarHBondContact O-CB 3.03Å; Q117-Q121 PolarHBondContact O-N 3.28Å; I119-Q121 VanDerWaalsContact C-N 3.34Å; Q121-T125 WeakPolarHBondContact O-CG2 3.26Å; Q121-T125 PolarHBondContact O-N 2.95Å; Q121-T125 VanDerWaalsContact O-N 3.1Å; Q121-T125 PolarHBondContact O-OG1 2.85Å |
| 122 | L | 74.7 | Confident | 70 | Confident | 3 Ų | 3 | 38.9 Ų | 38.9 | 2% | 0.016 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -66.4 | -48.2 | 171.1 | -176.4 | 139.6 | 0 | 0 | 0 | 111.3 | V55 V58 L85 H118 I119 D120 R124 T125 V126 | V55-L122 HydrophobicContact CB-CD1 4.08Å; V55-L122 HydrophobicContact CG1-CB 4.2Å; V55-L122 HydrophobicContact CG1-CD1 4.2Å; V55-L122 HydrophobicContact CG2-CB 4.16Å; V55-L122 HydrophobicContact CG2-CD1 3.84Å; V58-L122 HydrophobicContact CB-CD1 3.96Å; V58-L122 HydrophobicContact CG1-CD1 3.91Å; L85-L122 HydrophobicContact CD1-CD2 3.34Å; L85-L122 HydrophobicContact CD2-CD2 4.06Å; L85-L122 HydrophobicContact CG-CD2 4.31Å; H118-L122 WeakPolarHBondContact O-CB 3.48Å; H118-L122 PolarHBondContact O-N 3.37Å; I119-L122 PolarHBondContact O-N 2.74Å; D120-L122 VanDerWaalsContact C-N 3.32Å; D120-L122 PolarHBondContact O-N 3.49Å; L122-R124 VanDerWaalsContact C-N 3.3Å; L122-R124 PolarHBondContact O-N 2.87Å; L122-T125 WeakPolarHBondContact CA-OG1 3.36Å; L122-T125 WeakPolarHBondContact O-CA 3.25Å; L122-T125 PolarHBondContact O-N 2.79Å; L122-T125 PolarHBondContact O-OG1 3.3Å; L122-V126 HydrophobicContact CD2-CG2 3.66Å; L122-V126 HydrophobicContact CG-CG2 4.11Å; L122-V126 WeakPolarHBondContact O-CG2 3.32Å; L122-V126 PolarHBondContact O-N 3.1Å |
| 123 | I | 74.2 | Confident | 69.6 | Low | 1 Ų | 1 | 41.3 Ų | 41.3 | 1% | 0.005 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -60 | -40.2 | 179.3 | -74.4 | 167.1 | 0 | 0 | 0 | 111.1 | L85 I119 D120 T125 V126 W127 F151 Y169 | L85-I123 HydrophobicContact CB-CD1 4.19Å; L85-I123 HydrophobicContact CB-CG1 4.32Å; I119-I123 HydrophobicContact CG2-CD1 3.93Å; I119-I123 WeakPolarHBondContact O-CG1 3.37Å; I119-I123 PolarHBondContact O-N 3.37Å; D120-I123 PolarHBondContact O-N 3.47Å; I123-T125 PolarHBondContact O-N 3.2Å; I123-V126 PolarHBondContact O-N 3.09Å; I123-W127 WeakPolarHBondContact O-CB 3.45Å; I123-W127 PolarHBondContact O-N 3.26Å; I123-F151 HydrophobicContact CB-CE1 4.35Å; I123-F151 HydrophobicContact CD1-CD1 3.77Å; I123-F151 HydrophobicContact CD1-CE1 3.36Å; I123-F151 HydrophobicContact CD1-CE2 4.32Å; I123-F151 HydrophobicContact CD1-CG 4.4Å; I123-F151 HydrophobicContact CD1-CZ 3.66Å; I123-F151 HydrophobicContact CG1-CE1 4.42Å; I123-F151 HydrophobicContact CG2-CE1 4.35Å; I123-Y169 HydrophobicContact CG2-CE2 4.17Å |
| 124 | R | 76.1 | Confident | 68.9 | Low | 57 Ų | 57 | 38.5 Ų | 38.5 | 22% | 0.215 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -55.7 | -47.5 | 169.1 | -73.5 | 176.6 | -167.7 | -93.6 | -18 | 112.6 | D120 L122 S128 N165 N166 Y169 | D120-R124 WeakPolarHBondContact O-CB 3.34Å; D120-R124 VanDerWaalsContact O-CG 3.3Å; D120-R124 WeakPolarHBondContact O-CG 3.2Å; D120-R124 PolarHBondContact O-N 2.9Å; D120-R124 IonicContact OD1-NE 2.89Å; D120-R124 IonicContact OD1-NH2 3.87Å; D120-R124 IonicContact OD2-CZ 2.75Å; D120-R124 VanDerWaalsContact OD2-CZ 3.27Å; D120-R124 IonicContact OD2-NE 3.24Å; D120-R124 PolarHBondContact OD2-NE 3.5Å; D120-R124 IonicContact OD2-NH2 3.65Å; D120-R124 PolarHBondContact OD2-NH2 2.75Å; L122-R124 VanDerWaalsContact C-N 3.3Å; L122-R124 PolarHBondContact O-N 2.87Å; R124-S128 WeakPolarHBondContact O-CB 3.32Å; R124-S128 PolarHBondContact O-N 3.38Å; R124-S128 PolarHBondContact O-OG 3.39Å; R124-N165 PolarHBondContact NH2-O 2.9Å; R124-N166 PolarHBondContact NH1-O 3.46Å; R124-N166 PolarHBondContact NH2-O 3.22Å; R124-N166 VanDerWaalsContact NH2-O 3.13Å; R124-Y169 HydrophobicContact CB-CD2 4.4Å; R124-Y169 HydrophobicContact CB-CE2 4.49Å; R124-Y169 HydrophobicContact CG-CD1 3.65Å; R124-Y169 HydrophobicContact CG-CD2 3.86Å; R124-Y169 HydrophobicContact CG-CE1 3.59Å; R124-Y169 HydrophobicContact CG-CE2 3.84Å; R124-Y169 HydrophobicContact CG-CG 3.75Å; R124-Y169 VanDerWaalsContact CZ-CD1 3.44Å; R124-Y169 VanDerWaalsContact CZ-CE1 3.45Å |
| 125 | T | 71.1 | Confident | 68 | Low | 39 Ų | 39 | 37.8 Ų | 37.8 | 24% | 0.239 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -64.8 | -48.7 | 177.4 | 56 | 0 | 0 | 0 | 0 | 111.9 | Q121 L122 I123 W127 S128 V129 | Q121-T125 WeakPolarHBondContact O-CG2 3.26Å; Q121-T125 PolarHBondContact O-N 2.95Å; Q121-T125 VanDerWaalsContact O-N 3.1Å; Q121-T125 PolarHBondContact O-OG1 2.85Å; L122-T125 WeakPolarHBondContact CA-OG1 3.36Å; L122-T125 WeakPolarHBondContact O-CA 3.25Å; L122-T125 PolarHBondContact O-N 2.79Å; L122-T125 PolarHBondContact O-OG1 3.3Å; I123-T125 PolarHBondContact O-N 3.2Å; T125-W127 VanDerWaalsContact C-N 3.28Å; T125-W127 PolarHBondContact O-N 3.44Å; T125-S128 PolarHBondContact O-N 3.31Å; T125-S128 PolarHBondContact O-OG 3.26Å; T125-S128 VanDerWaalsContact O-OG 3.12Å; T125-V129 WeakPolarHBondContact O-CB 3.47Å; T125-V129 WeakPolarHBondContact O-CG2 3.34Å; T125-V129 PolarHBondContact O-N 2.92Å |
| 126 | V | 71 | Confident | 66.9 | Low | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -60.5 | -38 | 178.7 | -176.9 | 0 | 0 | 0 | 0 | 111.4 | L62 I78 I82 L122 I123 G130 | L62-V126 HydrophobicContact CD1-CG2 3.69Å; I78-V126 HydrophobicContact CG2-CG1 3.9Å; I82-V126 HydrophobicContact CD1-CG1 3.97Å; I82-V126 HydrophobicContact CG1-CB 4.38Å; I82-V126 HydrophobicContact CG1-CG1 3.52Å; L122-V126 HydrophobicContact CD2-CG2 3.66Å; L122-V126 HydrophobicContact CG-CG2 4.11Å; L122-V126 WeakPolarHBondContact O-CG2 3.32Å; L122-V126 PolarHBondContact O-N 3.1Å; I123-V126 PolarHBondContact O-N 3.09Å; V126-G130 PolarHBondContact O-N 3.1Å |
| 127 | W | 73.6 | Confident | 66.1 | Low | 2 Ų | 2 | 49.6 Ų | 49.6 | 1% | 0.008 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -69.9 | -52.1 | 180 | -166 | -85 | 0 | 0 | 0 | 112.8 | I82 I123 T125 V129 G130 F131 F141 A144 T145 Y169 C170 T174 | I82-W127 HydrophobicContact CD1-CE3 4.07Å; I82-W127 HydrophobicContact CD1-CZ3 4.31Å; I123-W127 WeakPolarHBondContact O-CB 3.45Å; I123-W127 PolarHBondContact O-N 3.26Å; T125-W127 VanDerWaalsContact C-N 3.28Å; T125-W127 PolarHBondContact O-N 3.44Å; W127-V129 VanDerWaalsContact C-N 3.25Å; W127-V129 PolarHBondContact O-N 3.36Å; W127-G130 PolarHBondContact O-N 3.37Å; W127-G130 VanDerWaalsContact O-N 3.17Å; W127-F131 PolarHBondContact O-N 3.46Å; W127-F141 AromaticContact CH2-CD1 3.87Å; W127-F141 HydrophobicContact CH2-CD1 3.87Å; W127-F141 HydrophobicContact CZ2-CD1 4.29Å; W127-F141 HydrophobicContact CZ3-CD1 4.03Å; W127-A144 HydrophobicContact CH2-CB 4.28Å; W127-A144 HydrophobicContact CZ3-CB 3.84Å; W127-T145 VanDerWaalsContact CH2-CA 3.44Å; W127-T145 HydrophobicContact CH2-CG2 4.17Å; W127-T145 VanDerWaalsContact CH2-OG1 3.31Å; W127-T145 WeakPolarHBondContact CH2-OG1 3.31Å; W127-T145 HydrophobicContact CZ2-CG2 4.09Å; W127-Y169 HydrophobicContact CB-CD2 4.29Å; W127-Y169 HydrophobicContact CB-CE2 4.49Å; W127-Y169 HydrophobicContact CG-CD2 4.36Å; W127-Y169 PolarHBondContact NE1-O 3.01Å; W127-C170 HydrophobicContact CD2-CB 4.25Å; W127-C170 HydrophobicContact CZ2-CB 4.27Å; W127-T174 HydrophobicContact CZ2-CG2 4.43Å |
| 128 | S | 69.1 | Low | 65.3 | Low | 62 Ų | 62 | 47.6 Ų | 47.6 | 43% | 0.434 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -62.5 | -34.3 | 178.3 | 55.4 | 0 | 0 | 0 | 0 | 112.5 | R124 T125 K132 | R124-S128 WeakPolarHBondContact O-CB 3.32Å; R124-S128 PolarHBondContact O-N 3.38Å; R124-S128 PolarHBondContact O-OG 3.39Å; T125-S128 PolarHBondContact O-N 3.31Å; T125-S128 PolarHBondContact O-OG 3.26Å; T125-S128 VanDerWaalsContact O-OG 3.12Å; S128-K132 WeakPolarHBondContact O-CG 3.2Å; S128-K132 PolarHBondContact O-N 3.39Å |
| 129 | V | 64.5 | Low | 64.4 | Low | 26 Ų | 26 | 51.5 Ų | 51.5 | 16% | 0.158 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61.2 | -55 | 168.9 | 154.7 | 0 | 0 | 0 | 0 | 111.9 | L62 L66 T125 W127 F131 K132 | L62-V129 HydrophobicContact CD2-CG1 4.36Å; L66-V129 HydrophobicContact CD1-CB 4.01Å; L66-V129 HydrophobicContact CD1-CG1 3.38Å; L66-V129 HydrophobicContact CD1-CG2 3.55Å; L66-V129 HydrophobicContact CD2-CG1 3.54Å; L66-V129 HydrophobicContact CG-CG1 3.95Å; T125-V129 WeakPolarHBondContact O-CB 3.47Å; T125-V129 WeakPolarHBondContact O-CG2 3.34Å; T125-V129 PolarHBondContact O-N 2.92Å; W127-V129 VanDerWaalsContact C-N 3.25Å; W127-V129 PolarHBondContact O-N 3.36Å; V129-F131 VanDerWaalsContact C-N 3.32Å; V129-F131 PolarHBondContact O-N 3.38Å; V129-K132 PolarHBondContact O-N 2.9Å |
| 130 | G | 63.4 | Low | 63.9 | Low | 3 Ų | 3 | 52.6 Ų | 52.6 | 3% | 0.031 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -60.6 | -42.4 | -175 | 0 | 0 | 0 | 0 | 0 | 112.4 | V126 W127 V133 S134 | V126-G130 PolarHBondContact O-N 3.1Å; W127-G130 PolarHBondContact O-N 3.37Å; W127-G130 VanDerWaalsContact O-N 3.17Å; G130-V133 PolarHBondContact O-N 3.47Å; G130-S134 PolarHBondContact O-N 2.8Å; G130-S134 PolarHBondContact O-OG 2.82Å |
| 131 | F | 62.4 | Low | 63.7 | Low | 34 Ų | 34 | 53 Ų | 53 | 15% | 0.149 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -66.3 | -41.8 | -179.6 | -165.8 | -90.4 | 0 | 0 | 0 | 113.2 | W127 V129 V133 S134 L138 P173 H177 | W127-F131 PolarHBondContact O-N 3.46Å; V129-F131 VanDerWaalsContact C-N 3.32Å; V129-F131 PolarHBondContact O-N 3.38Å; F131-V133 PolarHBondContact O-N 2.96Å; F131-V133 VanDerWaalsContact O-N 3.15Å; F131-S134 PolarHBondContact O-N 2.87Å; F131-S134 PolarHBondContact O-OG 3.27Å; F131-L138 HydrophobicContact CD2-CD2 3.98Å; F131-L138 HydrophobicContact CE2-CD1 4.34Å; F131-L138 HydrophobicContact CE2-CD2 3.69Å; F131-P173 HydrophobicContact CB-CB 4.5Å; F131-P173 HydrophobicContact CD1-CB 3.7Å; F131-P173 HydrophobicContact CD2-CB 3.44Å; F131-P173 VanDerWaalsContact CD2-CB 3.44Å; F131-P173 HydrophobicContact CE1-CB 3.68Å; F131-P173 HydrophobicContact CE2-CB 3.41Å; F131-P173 VanDerWaalsContact CE2-CB 3.41Å; F131-P173 VanDerWaalsContact CE2-O 3.32Å; F131-P173 WeakPolarHBondContact CE2-O 3.43Å; F131-P173 HydrophobicContact CG-CB 3.58Å; F131-P173 HydrophobicContact CG-CG 4.41Å; F131-P173 HydrophobicContact CZ-CB 3.54Å; F131-P173 WeakPolarHBondContact CZ-O 3.1Å; F131-H177 AromaticContact CE1-CD2 3.71Å; F131-H177 AromaticContact CE1-NE2 3.89Å; F131-H177 HydrophobicContact CZ-CB 4.18Å; F131-H177 AromaticContact CZ-CD2 3.44Å; F131-H177 VanDerWaalsContact CZ-CD2 3.44Å; F131-H177 WeakPolarHBondContact CZ-CD2 3.17Å; F131-H177 AromaticContact CZ-CG 3.89Å |
| 132 | K | 61 | Low | 63.3 | Low | 185 Ų | 185 | 49.5 Ų | 49.5 | 80% | 0.804 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -60.4 | -24.8 | 179.9 | -84.2 | -175.5 | 173.4 | -175.1 | 0 | 113.6 | S128 V129 | S128-K132 WeakPolarHBondContact O-CG 3.2Å; S128-K132 PolarHBondContact O-N 3.39Å; V129-K132 PolarHBondContact O-N 2.9Å |
| 133 | V | 57 | Low | 63.1 | Low | 80 Ų | 80 | 51.8 Ų | 51.8 | 49% | 0.485 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -92.7 | -27.9 | 179.3 | -179.2 | 0 | 0 | 0 | 0 | 112.4 | L66 G130 F131 G135 | L66-V133 HydrophobicContact CD2-CG2 3.66Å; G130-V133 PolarHBondContact O-N 3.47Å; F131-V133 PolarHBondContact O-N 2.96Å; F131-V133 VanDerWaalsContact O-N 3.15Å; V133-G135 VanDerWaalsContact C-N 3.31Å; V133-G135 PolarHBondContact O-N 3.48Å |
| 134 | S | 54.1 | Low | 63 | Low | 1 Ų | 1 | 51.8 Ų | 51.8 | 1% | 0.007 | 29% | 0.286 | C | S | . | . | trans | -86.5 | 18.2 | -171 | 63.1 | 0 | 0 | 0 | 0 | 115.7 | G130 F131 K136 S137 L138 | G130-S134 PolarHBondContact O-N 2.8Å; G130-S134 PolarHBondContact O-OG 2.82Å; F131-S134 PolarHBondContact O-N 2.87Å; F131-S134 PolarHBondContact O-OG 3.27Å; S134-K136 PolarHBondContact O-N 3.42Å; S134-S137 CarbonylContact O-C 3.6Å; S134-S137 PolarHBondContact O-N 3.06Å; S134-L138 WeakPolarHBondContact OG-CD2 3.48Å | ||
| 135 | G | 49.3 | Very low | 62.9 | Low | 68 Ų | 68 | 49.5 Ų | 49.5 | 70% | 0.701 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | 0.8 | -166.8 | 0 | 0 | 0 | 0 | 0 | 118.3 | V133 | V133-G135 VanDerWaalsContact C-N 3.31Å; V133-G135 PolarHBondContact O-N 3.48Å |
| 136 | K | 46.3 | Very low | 63.2 | Low | 217 Ų | 217 | 49 Ų | 49 | 94% | 0.943 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -133 | 2.8 | 170.2 | -66.8 | -170.4 | 177.5 | -176.9 | 0 | 114.6 | S134 | S134-K136 PolarHBondContact O-N 3.42Š|
| 137 | S | 52.1 | Low | 63.5 | Low | 42 Ų | 42 | 50.9 Ų | 50.9 | 29% | 0.294 | 29% | 0.285 | S | S | . | . | trans | -156.6 | 93.7 | 178.6 | 62.5 | 0 | 0 | 0 | 0 | 112.6 | S134 | S134-S137 CarbonylContact O-C 3.6Å; S134-S137 PolarHBondContact O-N 3.06Å | ||
| 138 | L | 55.2 | Low | 63.7 | Low | 36 Ų | 36 | 50.9 Ų | 50.9 | 19% | 0.188 | 29% | 0.285 | C | S | . | . | trans | -88.8 | -2.6 | -176.8 | -78.4 | 163.9 | 0 | 0 | 0 | 115.1 | F131 S134 G140 F141 V179 | F131-L138 HydrophobicContact CD2-CD2 3.98Å; F131-L138 HydrophobicContact CE2-CD1 4.34Å; F131-L138 HydrophobicContact CE2-CD2 3.69Å; S134-L138 WeakPolarHBondContact OG-CD2 3.48Å; L138-G140 PolarHBondContact O-N 3.25Å; L138-G140 VanDerWaalsContact O-N 3.15Å; L138-F141 PolarHBondContact O-N 3.18Å; L138-V179 HydrophobicContact CB-CG2 4.36Å; L138-V179 HydrophobicContact CD1-CG2 3.75Å | ||
| 139 | Q | 55.4 | Low | 64.2 | Low | 122 Ų | 122 | 48 Ų | 48 | 57% | 0.57 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | 120.3 | -179.1 | -80.3 | -169.8 | -10.4 | 0 | 0 | 111.6 | Y72 | Y72-Q139 PolarHBondContact OH-OE1 3.33Š|
| 140 | G | 61.4 | Low | 64.9 | Low | 31 Ų | 31 | 48.5 Ų | 48.5 | 32% | 0.32 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 107.3 | -25.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | L138 E142 | L138-G140 PolarHBondContact O-N 3.25Å; L138-G140 VanDerWaalsContact O-N 3.15Å; G140-E142 VanDerWaalsContact C-N 3.33Å |
| 141 | F | 70 | Confident | 65.6 | Low | 8 Ų | 8 | 48.3 Ų | 48.3 | 4% | 0.035 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -70.3 | -30.9 | 174.3 | -94.4 | -77 | 0 | 0 | 0 | 112.6 | I75 I78 V79 I82 W127 L138 V143 A144 T145 | I75-F141 HydrophobicContact CG2-CD2 4.08Å; I75-F141 HydrophobicContact CG2-CE2 3.81Å; I78-F141 HydrophobicContact CG2-CZ 4.15Å; V79-F141 HydrophobicContact CG2-CD1 4.27Å; V79-F141 HydrophobicContact CG2-CD2 4.34Å; V79-F141 HydrophobicContact CG2-CE1 4.35Å; V79-F141 HydrophobicContact CG2-CE2 4.43Å; V79-F141 HydrophobicContact CG2-CG 4.25Å; V79-F141 HydrophobicContact CG2-CZ 4.41Å; I82-F141 HydrophobicContact CD1-CD1 4.46Å; I82-F141 HydrophobicContact CD1-CE1 3.73Å; W127-F141 AromaticContact CH2-CD1 3.87Å; W127-F141 HydrophobicContact CH2-CD1 3.87Å; W127-F141 HydrophobicContact CZ2-CD1 4.29Å; W127-F141 HydrophobicContact CZ3-CD1 4.03Å; L138-F141 PolarHBondContact O-N 3.18Å; F141-V143 VanDerWaalsContact C-N 3.28Å; F141-V143 PolarHBondContact O-N 3.46Å; F141-V143 VanDerWaalsContact O-N 3.13Å; F141-A144 CarbonylContact O-C 3.55Å; F141-A144 WeakPolarHBondContact O-CA 3.45Å; F141-A144 WeakPolarHBondContact O-CB 3.31Å; F141-A144 PolarHBondContact O-N 2.99Å; F141-T145 PolarHBondContact O-N 3.36Å; F141-T145 PolarHBondContact O-OG1 2.9Å |
| 142 | E | 67.1 | Low | 66.6 | Low | 23 Ų | 23 | 46.8 Ų | 46.8 | 11% | 0.107 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -47.1 | -44.5 | -176.3 | -53.8 | 154.3 | -161.5 | 0 | 0 | 114.1 | G140 T145 I181 A182 Q185 | G140-E142 VanDerWaalsContact C-N 3.33Å; E142-T145 WeakPolarHBondContact O-CB 3.3Å; E142-T145 PolarHBondContact O-N 3.36Å; E142-T145 PolarHBondContact O-OG1 3.12Å; E142-I181 WeakPolarHBondContact OE2-CG2 3.36Å; E142-A182 HydrophobicContact CG-CB 4.15Å; E142-Q185 HydrophobicContact CB-CG 4Å |
| 143 | V | 70.2 | Confident | 67.5 | Low | 51 Ų | 51 | 38.2 Ų | 38.2 | 31% | 0.309 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -79.5 | -31.3 | -179 | -169.9 | 0 | 0 | 0 | 0 | 111.1 | F141 T145 V146 D147 | F141-V143 VanDerWaalsContact C-N 3.28Å; F141-V143 PolarHBondContact O-N 3.46Å; F141-V143 VanDerWaalsContact O-N 3.13Å; V143-T145 VanDerWaalsContact C-N 3.27Å; V143-T145 PolarHBondContact O-N 2.96Å; V143-V146 PolarHBondContact O-N 3.01Å; V143-D147 PolarHBondContact O-N 3.14Å; V143-D147 VanDerWaalsContact O-N 3.15Å |
| 144 | A | 73.3 | Confident | 68.5 | Low | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -66.3 | -30.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | V79 I82 R83 W127 F141 V146 D147 C148 | V79-A144 HydrophobicContact CG1-CB 4.4Å; I82-A144 HydrophobicContact CG2-CB 4.15Å; R83-A144 HydrophobicContact CG-CB 4.42Å; W127-A144 HydrophobicContact CH2-CB 4.28Å; W127-A144 HydrophobicContact CZ3-CB 3.84Å; F141-A144 CarbonylContact O-C 3.55Å; F141-A144 WeakPolarHBondContact O-CA 3.45Å; F141-A144 WeakPolarHBondContact O-CB 3.31Å; F141-A144 PolarHBondContact O-N 2.99Å; A144-V146 VanDerWaalsContact C-N 3.33Å; A144-V146 PolarHBondContact O-N 3.26Å; A144-D147 PolarHBondContact O-N 3.08Å; A144-C148 WeakPolarHBondContact O-CB 3.3Å; A144-C148 PolarHBondContact O-N 3.02Å; A144-C148 PolarHBondContact O-SG 3.43Å |
| 145 | T | 73.7 | Confident | 69.6 | Low | 9 Ų | 9 | 37 Ų | 37 | 6% | 0.055 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -59.9 | -45.3 | 174.4 | -36.9 | 0 | 0 | 0 | 0 | 110.8 | W127 F141 E142 V143 C148 L149 C170 T174 | W127-T145 VanDerWaalsContact CH2-CA 3.44Å; W127-T145 HydrophobicContact CH2-CG2 4.17Å; W127-T145 VanDerWaalsContact CH2-OG1 3.31Å; W127-T145 WeakPolarHBondContact CH2-OG1 3.31Å; W127-T145 HydrophobicContact CZ2-CG2 4.09Å; F141-T145 PolarHBondContact O-N 3.36Å; F141-T145 PolarHBondContact O-OG1 2.9Å; E142-T145 WeakPolarHBondContact O-CB 3.3Å; E142-T145 PolarHBondContact O-N 3.36Å; E142-T145 PolarHBondContact O-OG1 3.12Å; V143-T145 VanDerWaalsContact C-N 3.27Å; V143-T145 PolarHBondContact O-N 2.96Å; T145-C148 PolarHBondContact O-N 2.99Å; T145-L149 HydrophobicContact CG2-CD1 4.37Å; T145-L149 WeakPolarHBondContact O-CB 3.23Å; T145-L149 WeakPolarHBondContact O-CG 3.3Å; T145-L149 PolarHBondContact O-N 3.41Å; T145-C170 HydrophobicContact CG2-CB 4.41Å; T145-T174 HydrophobicContact CG2-CG2 4.06Å |
| 146 | V | 76.4 | Confident | 70.8 | Confident | 28 Ų | 28 | 35 Ų | 35 | 17% | 0.17 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -67.1 | -40.1 | 179.2 | 179.7 | 0 | 0 | 0 | 0 | 111.2 | V143 A144 L149 N150 Q185 F189 | V143-V146 PolarHBondContact O-N 3.01Å; A144-V146 VanDerWaalsContact C-N 3.33Å; A144-V146 PolarHBondContact O-N 3.26Å; V146-L149 PolarHBondContact O-N 3.29Å; V146-N150 PolarHBondContact O-N 2.94Å; V146-N150 PolarHBondContact O-ND2 3.17Å; V146-Q185 HydrophobicContact CG2-CB 4.18Å; V146-F189 HydrophobicContact CG1-CB 4.21Å; V146-F189 HydrophobicContact CG1-CD2 3.86Å; V146-F189 HydrophobicContact CG1-CG 4.19Å; V146-F189 HydrophobicContact CG2-CB 4.21Å |
| 147 | D | 77.5 | Confident | 72.2 | Confident | 41 Ų | 41 | 26.1 Ų | 26.1 | 22% | 0.219 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -65 | -41.1 | 175.3 | -74.1 | 3.4 | 0 | 0 | 0 | 111.8 | R83 V143 A144 F151 | R83-D147 WeakPolarHBondContact CG-OD2 3.46Å; R83-D147 IonicContact CZ-OD2 3.24Å; R83-D147 IonicContact NE-OD2 2.69Å; R83-D147 PolarHBondContact NE-OD2 3.13Å; R83-D147 IonicContact NH2-OD1 2.76Å; R83-D147 PolarHBondContact NH2-OD1 2.95Å; R83-D147 IonicContact NH2-OD2 3.83Å; R83-D147 PolarHBondContact NH2-OD2 3.2Å; V143-D147 PolarHBondContact O-N 3.14Å; V143-D147 VanDerWaalsContact O-N 3.15Å; A144-D147 PolarHBondContact O-N 3.08Å; D147-F151 WeakPolarHBondContact O-CB 3.32Å; D147-F151 PolarHBondContact O-N 3.03Å |
| 148 | C | 78.7 | Confident | 73.2 | Confident | 1 Ų | 1 | 24.9 Ų | 24.9 | 1% | 0.007 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -63 | -41.1 | 173.4 | -72 | 0 | 0 | 0 | 0 | 112.7 | I82 A144 T145 F151 W152 | I82-C148 WeakPolarHBondContact CG2-SG 3.26Å; A144-C148 WeakPolarHBondContact O-CB 3.3Å; A144-C148 PolarHBondContact O-N 3.02Å; A144-C148 PolarHBondContact O-SG 3.43Å; T145-C148 PolarHBondContact O-N 2.99Å; C148-F151 WeakPolarHBondContact O-CB 3.41Å; C148-F151 PolarHBondContact O-N 3.39Å; C148-W152 WeakPolarHBondContact O-CB 3.33Å; C148-W152 PolarHBondContact O-N 2.79Å |
| 149 | L | 78.4 | Confident | 73.9 | Confident | 2 Ų | 2 | 30.6 Ų | 30.6 | 1% | 0.01 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -69.2 | -39 | 178.8 | -74.2 | 172.8 | 0 | 0 | 0 | 112.7 | T145 V146 F151 M153 P167 C170 L171 F189 F213 | T145-L149 HydrophobicContact CG2-CD1 4.37Å; T145-L149 WeakPolarHBondContact O-CB 3.23Å; T145-L149 WeakPolarHBondContact O-CG 3.3Å; T145-L149 PolarHBondContact O-N 3.41Å; V146-L149 PolarHBondContact O-N 3.29Å; L149-F151 VanDerWaalsContact C-N 3.33Å; L149-M153 WeakPolarHBondContact O-CB 3.25Å; L149-M153 VanDerWaalsContact O-CG 3.25Å; L149-M153 WeakPolarHBondContact O-CG 3.46Å; L149-M153 PolarHBondContact O-N 3.24Å; L149-P167 HydrophobicContact CD2-CB 4.16Å; L149-C170 VanDerWaalsContact CD2-SG 3.54Å; L149-L171 HydrophobicContact CD1-CD2 4.11Å; L149-L171 HydrophobicContact CD2-CD2 4.26Å; L149-L171 HydrophobicContact CD2-CG 4.44Å; L149-F189 HydrophobicContact CB-CD1 4.35Å; L149-F189 HydrophobicContact CB-CE1 3.65Å; L149-F189 HydrophobicContact CB-CZ 3.83Å; L149-F189 HydrophobicContact CD1-CD1 3.92Å; L149-F189 HydrophobicContact CD1-CE1 3.86Å; L149-F189 HydrophobicContact CG-CE1 4.33Å; L149-F213 HydrophobicContact CD1-CE2 3.92Å; L149-F213 HydrophobicContact CD1-CZ 4.29Å; L149-F213 HydrophobicContact CD2-CD2 4.02Å; L149-F213 HydrophobicContact CD2-CE2 3.61Å; L149-F213 HydrophobicContact CG-CE2 4.34Å |
| 150 | N | 79.3 | Confident | 74.7 | Confident | 36 Ų | 36 | 25 Ų | 25 | 19% | 0.193 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -64.3 | -39.4 | 171.1 | -77.6 | -87.8 | 0 | 0 | 0 | 111.3 | V146 N154 F189 K196 | V146-N150 PolarHBondContact O-N 2.94Å; V146-N150 PolarHBondContact O-ND2 3.17Å; N150-N154 WeakPolarHBondContact O-CB 3.49Å; N150-N154 PolarHBondContact O-N 3.33Å; N150-N154 VanDerWaalsContact O-N 3.08Å; N150-N154 PolarHBondContact O-ND2 3.12Å; N150-N154 PolarHBondContact O-OD1 2.94Å; N150-F189 VanDerWaalsContact ND2-CE2 3.31Å; N150-F189 WeakPolarHBondContact ND2-CE2 3.48Å; N150-K196 PolarHBondContact OD1-NZ 3.35Å |
| 151 | F | 79.6 | Confident | 75.1 | Confident | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -62.6 | -49.4 | 175.8 | 155.6 | -108.8 | 0 | 0 | 0 | 112.7 | C86 S89 I119 D120 I123 D147 C148 L149 M153 N154 L155 | C86-F151 HydrophobicContact CB-CB 4.24Å; S89-F151 WeakPolarHBondContact OG-CD2 3.38Å; S89-F151 WeakPolarHBondContact OG-CE2 3.35Å; I119-F151 HydrophobicContact CG2-CE2 4.3Å; I119-F151 HydrophobicContact CG2-CZ 4.04Å; D120-F151 HydrophobicContact CB-CE1 4.38Å; D120-F151 HydrophobicContact CB-CZ 4.25Å; I123-F151 HydrophobicContact CB-CE1 4.35Å; I123-F151 HydrophobicContact CD1-CD1 3.77Å; I123-F151 HydrophobicContact CD1-CE1 3.36Å; I123-F151 HydrophobicContact CD1-CE2 4.32Å; I123-F151 HydrophobicContact CD1-CG 4.4Å; I123-F151 HydrophobicContact CD1-CZ 3.66Å; I123-F151 HydrophobicContact CG1-CE1 4.42Å; I123-F151 HydrophobicContact CG2-CE1 4.35Å; D147-F151 WeakPolarHBondContact O-CB 3.32Å; D147-F151 PolarHBondContact O-N 3.03Å; C148-F151 WeakPolarHBondContact O-CB 3.41Å; C148-F151 PolarHBondContact O-N 3.39Å; L149-F151 VanDerWaalsContact C-N 3.33Å; F151-M153 PolarHBondContact O-N 3.17Å; F151-N154 PolarHBondContact O-N 3.27Å; F151-L155 HydrophobicContact CD2-CD1 4.16Å; F151-L155 HydrophobicContact CD2-CG 4.1Å; F151-L155 HydrophobicContact CE1-CD1 4.31Å; F151-L155 HydrophobicContact CE2-CD1 3.19Å; F151-L155 HydrophobicContact CE2-CD2 4.39Å; F151-L155 HydrophobicContact CE2-CG 3.57Å; F151-L155 HydrophobicContact CZ-CD1 3.3Å; F151-L155 HydrophobicContact CZ-CG 4.13Å; F151-L155 PolarHBondContact O-N 2.95Å |
| 152 | W | 83.3 | Confident | 75 | Confident | 2 Ų | 2 | 27.3 Ų | 27.3 | 1% | 0.008 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -60.5 | -44.7 | 178.1 | 175.1 | 88 | 0 | 0 | 0 | 111.5 | C148 N154 L155 Y156 N165 P167 A209 Q212 F213 | C148-W152 WeakPolarHBondContact O-CB 3.33Å; C148-W152 PolarHBondContact O-N 2.79Å; W152-N154 VanDerWaalsContact C-N 3.34Å; W152-N154 PolarHBondContact O-N 3.48Å; W152-L155 PolarHBondContact O-N 2.92Å; W152-Y156 HydrophobicContact CH2-CD2 4.3Å; W152-Y156 HydrophobicContact CH2-CG 4.4Å; W152-Y156 AromaticContact CZ2-CD2 3.75Å; W152-Y156 HydrophobicContact CZ2-CD2 3.75Å; W152-Y156 HydrophobicContact CZ2-CE2 4.17Å; W152-Y156 HydrophobicContact CZ2-CG 4.23Å; W152-Y156 WeakPolarHBondContact O-CB 3.11Å; W152-Y156 PolarHBondContact O-N 3.23Å; W152-N165 PolarHBondContact NE1-O 3.02Å; W152-P167 HydrophobicContact CD2-CB 3.97Å; W152-P167 HydrophobicContact CD2-CG 4.36Å; W152-P167 HydrophobicContact CE3-CB 4.28Å; W152-P167 HydrophobicContact CE3-CG 4.41Å; W152-P167 HydrophobicContact CG-CB 4.32Å; W152-P167 HydrophobicContact CH2-CG 4.2Å; W152-P167 HydrophobicContact CZ2-CG 4.11Å; W152-P167 HydrophobicContact CZ3-CG 4.34Å; W152-A209 HydrophobicContact CZ3-CB 4.31Å; W152-Q212 HydrophobicContact CH2-CB 4.17Å; W152-Q212 HydrophobicContact CH2-CG 4.3Å; W152-Q212 HydrophobicContact CZ2-CG 4.44Å; W152-F213 HydrophobicContact CH2-CB 4.5Å; W152-F213 HydrophobicContact CZ3-CB 4.03Å |
| 153 | M | 79.2 | Confident | 74.8 | Confident | 5 Ų | 5 | 32.8 Ų | 32.8 | 3% | 0.025 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -52.8 | -49.2 | 173 | -83.1 | -82.8 | -62.7 | 0 | 0 | 112 | L149 F151 Y156 S157 L193 W202 N206 A209 I210 | L149-M153 WeakPolarHBondContact O-CB 3.25Å; L149-M153 VanDerWaalsContact O-CG 3.25Å; L149-M153 WeakPolarHBondContact O-CG 3.46Å; L149-M153 PolarHBondContact O-N 3.24Å; F151-M153 PolarHBondContact O-N 3.17Å; M153-Y156 PolarHBondContact O-N 3.08Å; M153-S157 PolarHBondContact O-N 3.05Å; M153-S157 PolarHBondContact O-OG 2.98Å; M153-L193 HydrophobicContact CE-CD2 4.07Å; M153-W202 HydrophobicContact CE-CH2 3.81Å; M153-W202 HydrophobicContact CE-CZ2 3.98Å; M153-N206 HydrophobicContact CE-CB 3.98Å; M153-A209 HydrophobicContact CE-CB 4.38Å; M153-A209 HydrophobicContact SD-CB 3.58Å; M153-A209 VanDerWaalsContact SD-CB 3.58Å; M153-I210 HydrophobicContact CE-CD1 4.48Å; M153-I210 HydrophobicContact CE-CG1 3.67Å; M153-I210 HydrophobicContact SD-CG1 4.15Å |
| 154 | N | 78.2 | Confident | 74.4 | Confident | 50 Ų | 50 | 39 Ų | 39 | 27% | 0.267 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -68 | -38.5 | -177.6 | -69.7 | -10.7 | 0 | 0 | 0 | 112.9 | N90 N150 F151 W152 S157 A158 | N90-N154 PolarHBondContact OD1-ND2 2.87Å; N150-N154 WeakPolarHBondContact O-CB 3.49Å; N150-N154 PolarHBondContact O-N 3.33Å; N150-N154 VanDerWaalsContact O-N 3.08Å; N150-N154 PolarHBondContact O-ND2 3.12Å; N150-N154 PolarHBondContact O-OD1 2.94Å; F151-N154 PolarHBondContact O-N 3.27Å; W152-N154 VanDerWaalsContact C-N 3.34Å; W152-N154 PolarHBondContact O-N 3.48Å; N154-S157 PolarHBondContact O-OG 3.01Å; N154-A158 VanDerWaalsContact O-CB 3.23Å; N154-A158 WeakPolarHBondContact O-CB 3.4Å; N154-A158 PolarHBondContact O-N 2.83Å; N154-A158 VanDerWaalsContact O-N 3.1Å |
| 155 | L | 77.3 | Confident | 74.1 | Confident | 5 Ų | 5 | 41.6 Ų | 41.6 | 3% | 0.026 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -70.8 | -35.5 | 175.6 | -77.9 | -168.1 | 0 | 0 | 0 | 112.9 | V93 F151 W152 K159 I160 I161 | V93-L155 HydrophobicContact CG2-CD2 3.47Å; V93-L155 VanDerWaalsContact CG2-CD2 3.47Å; V93-L155 HydrophobicContact CG2-CG 4.43Å; F151-L155 HydrophobicContact CD2-CD1 4.16Å; F151-L155 HydrophobicContact CD2-CG 4.1Å; F151-L155 HydrophobicContact CE1-CD1 4.31Å; F151-L155 HydrophobicContact CE2-CD1 3.19Å; F151-L155 HydrophobicContact CE2-CD2 4.39Å; F151-L155 HydrophobicContact CE2-CG 3.57Å; F151-L155 HydrophobicContact CZ-CD1 3.3Å; F151-L155 HydrophobicContact CZ-CG 4.13Å; F151-L155 PolarHBondContact O-N 2.95Å; W152-L155 PolarHBondContact O-N 2.92Å; L155-K159 PolarHBondContact O-N 2.87Å; L155-I160 HydrophobicContact CD2-CB 3.97Å; L155-I160 HydrophobicContact CD2-CD1 3.7Å; L155-I160 HydrophobicContact CD2-CG1 4.44Å; L155-I160 HydrophobicContact CD2-CG2 3.89Å; L155-I160 PolarHBondContact O-N 3.11Å; L155-I161 HydrophobicContact CB-CD1 3.57Å; L155-I161 HydrophobicContact CB-CG1 3.9Å; L155-I161 HydrophobicContact CD1-CD1 3.54Å; L155-I161 HydrophobicContact CD1-CG1 3.94Å; L155-I161 HydrophobicContact CG-CD1 4.22Å |
| 156 | Y | 74.6 | Confident | 73.9 | Confident | 25 Ų | 25 | 42.8 Ų | 42.8 | 10% | 0.098 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -70.7 | -43.6 | 178.3 | -167.2 | -82.2 | 0 | 0 | 0 | 111.4 | W152 M153 A158 K159 C208 A209 | W152-Y156 HydrophobicContact CH2-CD2 4.3Å; W152-Y156 HydrophobicContact CH2-CG 4.4Å; W152-Y156 AromaticContact CZ2-CD2 3.75Å; W152-Y156 HydrophobicContact CZ2-CD2 3.75Å; W152-Y156 HydrophobicContact CZ2-CE2 4.17Å; W152-Y156 HydrophobicContact CZ2-CG 4.23Å; W152-Y156 WeakPolarHBondContact O-CB 3.11Å; W152-Y156 PolarHBondContact O-N 3.23Å; M153-Y156 PolarHBondContact O-N 3.08Å; Y156-A158 VanDerWaalsContact C-N 3.34Å; Y156-A158 PolarHBondContact O-N 3.4Å; Y156-K159 PolarHBondContact O-N 3.03Å; Y156-C208 HydrophobicContact CE1-CB 4.06Å; Y156-A209 HydrophobicContact CD1-CB 3.61Å; Y156-A209 HydrophobicContact CE1-CB 4.31Å; Y156-A209 HydrophobicContact CG-CB 4.21Å |
| 157 | S | 75.5 | Confident | 73.9 | Confident | 31 Ų | 31 | 41.4 Ų | 41.4 | 22% | 0.217 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -69.5 | -29.2 | 176.1 | 59.4 | 0 | 0 | 0 | 0 | 113.3 | M153 N154 K159 I205 N206 | M153-S157 PolarHBondContact O-N 3.05Å; M153-S157 PolarHBondContact O-OG 2.98Å; N154-S157 PolarHBondContact O-OG 3.01Å; S157-K159 PolarHBondContact O-N 2.94Å; S157-I205 WeakPolarHBondContact CB-O 3.37Å; S157-N206 VanDerWaalsContact CB-OD1 3.23Å; S157-N206 WeakPolarHBondContact CB-OD1 3.27Å; S157-N206 PolarHBondContact OG-OD1 3.21Å |
| 158 | A | 72.6 | Confident | 73.7 | Confident | 16 Ų | 16 | 43.3 Ų | 43.3 | 13% | 0.132 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | -2 | 168.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | V93 Y96 N154 Y156 I160 | V93-A158 HydrophobicContact CG1-CB 4.14Å; Y96-A158 HydrophobicContact CD1-CB 4.48Å; Y96-A158 HydrophobicContact CE1-CB 4.4Å; Y96-A158 WeakPolarHBondContact CE1-O 3.44Å; N154-A158 VanDerWaalsContact O-CB 3.23Å; N154-A158 WeakPolarHBondContact O-CB 3.4Å; N154-A158 PolarHBondContact O-N 2.83Å; N154-A158 VanDerWaalsContact O-N 3.1Å; Y156-A158 VanDerWaalsContact C-N 3.34Å; Y156-A158 PolarHBondContact O-N 3.4Å; A158-I160 HydrophobicContact CB-CD1 3.72Å; A158-I160 HydrophobicContact CB-CG1 3.92Å; A158-I160 PolarHBondContact O-N 2.78Å |
| 159 | K | 71 | Confident | 73.4 | Confident | 156 Ų | 156 | 45 Ų | 45 | 68% | 0.678 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.4 | 22.2 | -174.3 | -54.5 | 178.8 | -178.1 | 173.5 | 0 | 114.7 | K113 L155 Y156 S157 | K113-K159 WeakPolarHBondContact CE-O 3.38Å; L155-K159 PolarHBondContact O-N 2.87Å; Y156-K159 PolarHBondContact O-N 3.03Å; S157-K159 PolarHBondContact O-N 2.94Å |
| 160 | I | 71.3 | Confident | 73.1 | Confident | 6 Ų | 6 | 45 Ų | 45 | 3% | 0.031 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -77.1 | -29.6 | 178.4 | -65.3 | 167.7 | 0 | 0 | 0 | 110.4 | V93 Y96 L155 A158 | V93-I160 HydrophobicContact CG2-CD1 4.07Å; Y96-I160 HydrophobicContact CD1-CD1 3.7Å; Y96-I160 HydrophobicContact CD1-CG1 3.99Å; Y96-I160 HydrophobicContact CE1-CD1 4.01Å; Y96-I160 HydrophobicContact CE1-CG1 3.75Å; Y96-I160 HydrophobicContact CG-CD1 4.05Å; Y96-I160 HydrophobicContact CG-CG1 4.47Å; L155-I160 HydrophobicContact CD2-CB 3.97Å; L155-I160 HydrophobicContact CD2-CD1 3.7Å; L155-I160 HydrophobicContact CD2-CG1 4.44Å; L155-I160 HydrophobicContact CD2-CG2 3.89Å; L155-I160 PolarHBondContact O-N 3.11Å; A158-I160 HydrophobicContact CB-CD1 3.72Å; A158-I160 HydrophobicContact CB-CG1 3.92Å; A158-I160 PolarHBondContact O-N 2.78Å |
| 161 | I | 68.9 | Low | 72.9 | Confident | 4 Ų | 4 | 43.2 Ų | 43.2 | 2% | 0.021 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -113.4 | 141.2 | 170.5 | -49 | 165 | 0 | 0 | 0 | 110.1 | D120 L155 N165 | D120-I161 HydrophobicContact CB-CD1 3.84Å; L155-I161 HydrophobicContact CB-CD1 3.57Å; L155-I161 HydrophobicContact CB-CG1 3.9Å; L155-I161 HydrophobicContact CD1-CD1 3.54Å; L155-I161 HydrophobicContact CD1-CG1 3.94Å; L155-I161 HydrophobicContact CG-CD1 4.22Å; I161-N165 HydrophobicContact CG2-CB 3.35Å; I161-N165 VanDerWaalsContact CG2-ND2 3.28Å; I161-N165 WeakPolarHBondContact CG2-ND2 3.33Å |
| 162 | D | 68.1 | Low | 72.5 | Confident | 83 Ų | 83 | 45.3 Ų | 45.3 | 44% | 0.444 | 22% | 0.222 | S | C | . | . | trans | -92.3 | 167.4 | 179.6 | -59.1 | -64.8 | 0 | 0 | 0 | 113.8 | K113 Q164 N165 | K113-D162 IonicContact NZ-OD1 3.78Å; K113-D162 PolarHBondContact NZ-OD1 2.98Å; K113-D162 IonicContact NZ-OD2 3.38Å; K113-D162 PolarHBondContact NZ-OD2 2.9Å; D162-Q164 PolarHBondContact O-N 2.87Å; D162-N165 PolarHBondContact O-N 3.21Å | ||
| 163 | K | 63.2 | Low | 71.4 | Confident | 137 Ų | 137 | 46.1 Ų | 46.1 | 60% | 0.596 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -52.7 | -18.4 | -168.9 | -74.2 | -173.6 | 174.4 | -178.8 | 0 | 117.4 | ||
| 164 | Q | 62.9 | Low | 70.7 | Confident | 183 Ų | 183 | 47.3 Ų | 47.3 | 86% | 0.855 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.2 | -21.5 | -177.6 | -69 | 180 | -14.9 | 0 | 0 | 113.6 | D162 N166 | D162-Q164 PolarHBondContact O-N 2.87Å; Q164-N166 PolarHBondContact O-N 3.02Å; Q164-N166 VanDerWaalsContact O-N 3.12Å |
| 165 | N | 66.4 | Low | 70.1 | Confident | 53 Ų | 53 | 45.9 Ų | 45.9 | 28% | 0.283 | 23% | 0.228 | S | C | . | . | trans | -91.8 | 71 | -170.8 | -84.6 | -1.6 | 0 | 0 | 0 | 112.5 | R124 W152 I161 D162 | R124-N165 PolarHBondContact NH2-O 2.9Å; W152-N165 PolarHBondContact NE1-O 3.02Å; I161-N165 HydrophobicContact CG2-CB 3.35Å; I161-N165 VanDerWaalsContact CG2-ND2 3.28Å; I161-N165 WeakPolarHBondContact CG2-ND2 3.33Å; D162-N165 PolarHBondContact O-N 3.21Å | ||
| 166 | N | 69.1 | Low | 69.3 | Low | 34 Ų | 34 | 51 Ų | 51 | 18% | 0.182 | 25% | 0.252 | C | S | . | . | trans | -56 | 155.9 | 174.5 | -76.8 | -15.1 | 0 | 0 | 0 | 113.7 | R124 Q164 E168 Q212 | R124-N166 PolarHBondContact NH1-O 3.46Å; R124-N166 PolarHBondContact NH2-O 3.22Å; R124-N166 VanDerWaalsContact NH2-O 3.13Å; Q164-N166 PolarHBondContact O-N 3.02Å; Q164-N166 VanDerWaalsContact O-N 3.12Å; N166-E168 HydrophobicContact CB-CB 4.46Å; N166-E168 HydrophobicContact CB-CG 4Å; N166-E168 WeakPolarHBondContact CB-OE2 3.44Å; N166-E168 PolarHBondContact ND2-OE2 3.03Å; N166-E168 VanDerWaalsContact ND2-OE2 3.1Å; N166-E168 PolarHBondContact O-N 2.64Å; N166-Q212 PolarHBondContact OD1-NE2 3.22Å | ||
| 167 | P | 75.8 | Confident | 68.6 | Low | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | 7.3 | 174 | 33.4 | -33.2 | 0 | 0 | 0 | 113.9 | L149 W152 Y169 C170 L171 F213 T216 | L149-P167 HydrophobicContact CD2-CB 4.16Å; W152-P167 HydrophobicContact CD2-CB 3.97Å; W152-P167 HydrophobicContact CD2-CG 4.36Å; W152-P167 HydrophobicContact CE3-CB 4.28Å; W152-P167 HydrophobicContact CE3-CG 4.41Å; W152-P167 HydrophobicContact CG-CB 4.32Å; W152-P167 HydrophobicContact CH2-CG 4.2Å; W152-P167 HydrophobicContact CZ2-CG 4.11Å; W152-P167 HydrophobicContact CZ3-CG 4.34Å; P167-Y169 PolarHBondContact O-N 3.24Å; P167-C170 PolarHBondContact O-N 2.88Å; P167-C170 VanDerWaalsContact O-N 3.11Å; P167-C170 PolarHBondContact O-SG 3.19Å; P167-L171 HydrophobicContact CB-CD1 4.25Å; P167-L171 HydrophobicContact CG-CD1 4.02Å; P167-L171 PolarHBondContact O-N 2.83Å; P167-F213 HydrophobicContact CG-CD2 4.32Å; P167-T216 HydrophobicContact CG-CG2 4.08Å |
| 168 | E | 74.7 | Confident | 67.4 | Low | 80 Ų | 80 | 59.4 Ų | 59.4 | 37% | 0.374 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -49.4 | -36 | -179.4 | -72.9 | 171.4 | 126.7 | 0 | 0 | 113.3 | N166 C170 L171 V172 T216 | N166-E168 HydrophobicContact CB-CB 4.46Å; N166-E168 HydrophobicContact CB-CG 4Å; N166-E168 WeakPolarHBondContact CB-OE2 3.44Å; N166-E168 PolarHBondContact ND2-OE2 3.03Å; N166-E168 VanDerWaalsContact ND2-OE2 3.1Å; N166-E168 PolarHBondContact O-N 2.64Å; E168-C170 PolarHBondContact O-N 2.89Å; E168-C170 VanDerWaalsContact O-N 3.08Å; E168-L171 PolarHBondContact O-N 2.86Å; E168-V172 HydrophobicContact CB-CG2 3.92Å; E168-V172 WeakPolarHBondContact O-CB 3.43Å; E168-V172 VanDerWaalsContact O-CG2 3.24Å; E168-V172 WeakPolarHBondContact O-CG2 3.31Å; E168-V172 PolarHBondContact O-N 2.85Å; E168-T216 HydrophobicContact CB-CG2 4.43Å; E168-T216 HydrophobicContact CG-CG2 3.34Å |
| 169 | Y | 71.2 | Confident | 66.6 | Low | 36 Ų | 36 | 60.8 Ų | 60.8 | 14% | 0.141 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -59.1 | -24.5 | -177.4 | 72.9 | -96.2 | 0 | 0 | 0 | 114.6 | D120 I123 R124 W127 P167 P173 | D120-Y169 PolarHBondContact OD1-OH 2.98Å; I123-Y169 HydrophobicContact CG2-CE2 4.17Å; R124-Y169 HydrophobicContact CB-CD2 4.4Å; R124-Y169 HydrophobicContact CB-CE2 4.49Å; R124-Y169 HydrophobicContact CG-CD1 3.65Å; R124-Y169 HydrophobicContact CG-CD2 3.86Å; R124-Y169 HydrophobicContact CG-CE1 3.59Å; R124-Y169 HydrophobicContact CG-CE2 3.84Å; R124-Y169 HydrophobicContact CG-CG 3.75Å; R124-Y169 VanDerWaalsContact CZ-CD1 3.44Å; R124-Y169 VanDerWaalsContact CZ-CE1 3.45Å; W127-Y169 HydrophobicContact CB-CD2 4.29Å; W127-Y169 HydrophobicContact CB-CE2 4.49Å; W127-Y169 HydrophobicContact CG-CD2 4.36Å; W127-Y169 PolarHBondContact NE1-O 3.01Å; P167-Y169 PolarHBondContact O-N 3.24Å; Y169-P173 WeakPolarHBondContact O-CG 3.37Å |
| 170 | C | 72.5 | Confident | 66 | Low | 2 Ų | 2 | 57.6 Ų | 57.6 | 1% | 0.014 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -104.9 | -19.1 | 173.4 | 68.5 | 0 | 0 | 0 | 0 | 113.8 | W127 T145 L149 P167 E168 T174 | W127-C170 HydrophobicContact CD2-CB 4.25Å; W127-C170 HydrophobicContact CZ2-CB 4.27Å; T145-C170 HydrophobicContact CG2-CB 4.41Å; L149-C170 VanDerWaalsContact CD2-SG 3.54Å; P167-C170 PolarHBondContact O-N 2.88Å; P167-C170 VanDerWaalsContact O-N 3.11Å; P167-C170 PolarHBondContact O-SG 3.19Å; E168-C170 PolarHBondContact O-N 2.89Å; E168-C170 VanDerWaalsContact O-N 3.08Å; C170-T174 WeakPolarHBondContact O-CG2 3.19Å; C170-T174 PolarHBondContact O-OG1 3.23Å |
| 171 | L | 74.9 | Confident | 65.4 | Low | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -87.9 | -45.6 | 179.9 | -65.2 | 178.2 | 0 | 0 | 0 | 113.5 | L149 P167 E168 P173 T174 V175 L186 F213 T216 L217 L220 | L149-L171 HydrophobicContact CD1-CD2 4.11Å; L149-L171 HydrophobicContact CD2-CD2 4.26Å; L149-L171 HydrophobicContact CD2-CG 4.44Å; P167-L171 HydrophobicContact CB-CD1 4.25Å; P167-L171 HydrophobicContact CG-CD1 4.02Å; P167-L171 PolarHBondContact O-N 2.83Å; E168-L171 PolarHBondContact O-N 2.86Å; L171-P173 VanDerWaalsContact C-CD 3.49Å; L171-T174 PolarHBondContact O-N 3.32Å; L171-T174 PolarHBondContact O-OG1 3.18Å; L171-V175 WeakPolarHBondContact O-CB 3.29Å; L171-V175 WeakPolarHBondContact O-CG2 3.44Å; L171-V175 PolarHBondContact O-N 3.08Å; L171-L186 HydrophobicContact CD2-CD1 3.8Å; L171-F213 HydrophobicContact CD1-CD2 4.09Å; L171-F213 HydrophobicContact CD1-CE2 3.89Å; L171-F213 HydrophobicContact CD2-CE2 4.09Å; L171-T216 HydrophobicContact CD1-CG2 4.02Å; L171-L217 HydrophobicContact CD1-CD1 4.19Å; L171-L217 HydrophobicContact CD2-CD1 4.02Å; L171-L220 HydrophobicContact CB-CD1 3.49Å; L171-L220 VanDerWaalsContact CB-CD1 3.49Å |
| 172 | V | 71.2 | Confident | 65 | Low | 44 Ų | 44 | 61.6 Ų | 61.6 | 27% | 0.267 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -52 | -50.2 | 178.1 | 179.9 | 0 | 0 | 0 | 0 | 111.3 | E168 T174 V175 Q176 L220 | E168-V172 HydrophobicContact CB-CG2 3.92Å; E168-V172 WeakPolarHBondContact O-CB 3.43Å; E168-V172 VanDerWaalsContact O-CG2 3.24Å; E168-V172 WeakPolarHBondContact O-CG2 3.31Å; E168-V172 PolarHBondContact O-N 2.85Å; V172-T174 VanDerWaalsContact C-N 3.33Å; V172-T174 PolarHBondContact O-N 2.88Å; V172-V175 PolarHBondContact O-N 2.99Å; V172-Q176 HydrophobicContact CG1-CG 4.27Å; V172-Q176 WeakPolarHBondContact O-CB 3.32Å; V172-Q176 WeakPolarHBondContact O-CG 3.49Å; V172-Q176 PolarHBondContact O-N 3.44Å; V172-L220 HydrophobicContact CB-CD2 4.23Å; V172-L220 HydrophobicContact CG1-CD2 4.41Å; V172-L220 HydrophobicContact CG2-CD1 3.93Å; V172-L220 HydrophobicContact CG2-CD2 3.94Å; V172-L220 HydrophobicContact CG2-CG 4.27Å |
| 173 | P | 61.5 | Low | 64.8 | Low | 19 Ų | 19 | 58.5 Ų | 58.5 | 12% | 0.123 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -72.2 | -27.6 | -174.9 | -14.7 | 31.5 | 0 | 0 | 0 | 113.1 | F131 Y169 L171 | F131-P173 HydrophobicContact CB-CB 4.5Å; F131-P173 HydrophobicContact CD1-CB 3.7Å; F131-P173 HydrophobicContact CD2-CB 3.44Å; F131-P173 VanDerWaalsContact CD2-CB 3.44Å; F131-P173 HydrophobicContact CE1-CB 3.68Å; F131-P173 HydrophobicContact CE2-CB 3.41Å; F131-P173 VanDerWaalsContact CE2-CB 3.41Å; F131-P173 VanDerWaalsContact CE2-O 3.32Å; F131-P173 WeakPolarHBondContact CE2-O 3.43Å; F131-P173 HydrophobicContact CG-CB 3.58Å; F131-P173 HydrophobicContact CG-CG 4.41Å; F131-P173 HydrophobicContact CZ-CB 3.54Å; F131-P173 WeakPolarHBondContact CZ-O 3.1Å; Y169-P173 WeakPolarHBondContact O-CG 3.37Å; L171-P173 VanDerWaalsContact C-CD 3.49Å |
| 174 | T | 64.3 | Low | 65 | Low | 29 Ų | 29 | 53.8 Ų | 53.8 | 18% | 0.178 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -86.1 | -25.5 | -178.6 | 53 | 0 | 0 | 0 | 0 | 113.1 | W127 T145 C170 L171 V172 | W127-T174 HydrophobicContact CZ2-CG2 4.43Å; T145-T174 HydrophobicContact CG2-CG2 4.06Å; C170-T174 WeakPolarHBondContact O-CG2 3.19Å; C170-T174 PolarHBondContact O-OG1 3.23Å; L171-T174 PolarHBondContact O-N 3.32Å; L171-T174 PolarHBondContact O-OG1 3.18Å; V172-T174 VanDerWaalsContact C-N 3.33Å; V172-T174 PolarHBondContact O-N 2.88Å |
| 175 | V | 64.1 | Low | 65.5 | Low | 21 Ų | 21 | 47.4 Ų | 47.4 | 13% | 0.127 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -82.7 | -40.7 | 173 | 174.9 | 0 | 0 | 0 | 0 | 111.7 | L171 V172 H177 I178 L217 L220 L221 T224 | L171-V175 WeakPolarHBondContact O-CB 3.29Å; L171-V175 WeakPolarHBondContact O-CG2 3.44Å; L171-V175 PolarHBondContact O-N 3.08Å; V172-V175 PolarHBondContact O-N 2.99Å; V175-H177 PolarHBondContact O-N 2.91Å; V175-I178 WeakPolarHBondContact O-CG1 3.2Å; V175-L217 HydrophobicContact CG2-CD1 4.4Å; V175-L220 HydrophobicContact CB-CD2 4.44Å; V175-L220 HydrophobicContact CG1-CD2 4.49Å; V175-L221 HydrophobicContact CG1-CD2 4.13Å; V175-T224 HydrophobicContact CG1-CG2 4.49Å |
| 176 | Q | 62.5 | Low | 65.9 | Low | 112 Ų | 112 | 45.7 Ų | 45.7 | 52% | 0.523 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -71.1 | -26.8 | -175.5 | -74.6 | -178.6 | -25.2 | 0 | 0 | 114.8 | V172 | V172-Q176 HydrophobicContact CG1-CG 4.27Å; V172-Q176 WeakPolarHBondContact O-CB 3.32Å; V172-Q176 WeakPolarHBondContact O-CG 3.49Å; V172-Q176 PolarHBondContact O-N 3.44Å |
| 177 | H | 58.9 | Low | 66.1 | Low | 111 Ų | 111 | 44.3 Ų | 44.3 | 51% | 0.514 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -111.8 | 28.6 | -173.9 | -69.7 | -90.4 | 0 | 0 | 0 | 113.9 | F131 V175 V179 | F131-H177 AromaticContact CE1-CD2 3.71Å; F131-H177 AromaticContact CE1-NE2 3.89Å; F131-H177 HydrophobicContact CZ-CB 4.18Å; F131-H177 AromaticContact CZ-CD2 3.44Å; F131-H177 VanDerWaalsContact CZ-CD2 3.44Å; F131-H177 WeakPolarHBondContact CZ-CD2 3.17Å; F131-H177 AromaticContact CZ-CG 3.89Å; V175-H177 PolarHBondContact O-N 2.91Å; H177-V179 PolarHBondContact O-N 3.43Å |
| 178 | I | 51.5 | Low | 66.2 | Low | 121 Ų | 121 | 49.6 Ų | 49.6 | 62% | 0.621 | 26% | 0.263 | S | S | * | . | trans | -12.6 | 90.8 | -176.5 | -49.9 | -179.4 | 0 | 0 | 0 | 115.2 | V175 | V175-I178 WeakPolarHBondContact O-CG1 3.2Š| ||
| 179 | V | 54.1 | Low | 66.6 | Low | 46 Ų | 46 | 46 Ų | 46 | 28% | 0.279 | 25% | 0.246 | S | C | . | . | trans | -95.8 | 123.7 | 160.8 | 175.3 | 0 | 0 | 0 | 0 | 107.5 | L138 H177 I181 A182 A183 | L138-V179 HydrophobicContact CB-CG2 4.36Å; L138-V179 HydrophobicContact CD1-CG2 3.75Å; H177-V179 PolarHBondContact O-N 3.43Å; V179-I181 HydrophobicContact CG1-CB 4.39Å; V179-I181 HydrophobicContact CG1-CG1 4.28Å; V179-I181 PolarHBondContact O-N 3.41Å; V179-A182 WeakPolarHBondContact O-CB 3.42Å; V179-A182 PolarHBondContact O-N 2.96Å; V179-A183 PolarHBondContact O-N 2.89Å | ||
| 180 | P | 58.3 | Low | 67 | Low | 88 Ų | 88 | 44.2 Ų | 44.2 | 57% | 0.571 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -54.2 | -31.3 | -174 | -30.1 | 35.6 | 0 | 0 | 0 | 114.8 | A183 S184 | P180-A183 PolarHBondContact O-N 2.97Å; P180-S184 PolarHBondContact O-N 2.9Å |
| 181 | I | 58.7 | Low | 67.4 | Low | 76 Ų | 76 | 48.9 Ų | 48.9 | 39% | 0.39 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -69.8 | -39.2 | 179.9 | -39.1 | 179.2 | 0 | 0 | 0 | 111.4 | E142 V179 S184 Q185 | E142-I181 WeakPolarHBondContact OE2-CG2 3.36Å; V179-I181 HydrophobicContact CG1-CB 4.39Å; V179-I181 HydrophobicContact CG1-CG1 4.28Å; V179-I181 PolarHBondContact O-N 3.41Å; I181-S184 WeakPolarHBondContact O-CB 3.3Å; I181-S184 PolarHBondContact O-N 3.11Å; I181-Q185 WeakPolarHBondContact O-CG 3.46Å; I181-Q185 PolarHBondContact O-N 3.21Å |
| 182 | A | 61.2 | Low | 67.8 | Low | 18 Ų | 18 | 51 Ų | 51 | 15% | 0.149 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -65.1 | -42.7 | 175 | 0 | 0 | 0 | 0 | 0 | 111.5 | E142 V179 S184 Q185 L186 | E142-A182 HydrophobicContact CG-CB 4.15Å; V179-A182 WeakPolarHBondContact O-CB 3.42Å; V179-A182 PolarHBondContact O-N 2.96Å; A182-S184 VanDerWaalsContact C-N 3.31Å; A182-S184 PolarHBondContact O-N 2.73Å; A182-Q185 PolarHBondContact O-N 3.06Å; A182-L186 PolarHBondContact O-N 3.2Å |
| 183 | A | 63.6 | Low | 68.3 | Low | 19 Ų | 19 | 49 Ų | 49 | 16% | 0.157 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -61.7 | -38.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | V179 P180 L186 A187 F246 | V179-A183 PolarHBondContact O-N 2.89Å; P180-A183 PolarHBondContact O-N 2.97Å; A183-L186 PolarHBondContact O-N 2.8Å; A183-A187 WeakPolarHBondContact O-CB 3.32Å; A183-A187 PolarHBondContact O-N 3.35Å; A183-F246 HydrophobicContact CB-CD1 3.65Å; A183-F246 HydrophobicContact CB-CE1 3.86Å; A183-F246 HydrophobicContact CB-CG 4.39Å |
| 184 | S | 68 | Low | 69.2 | Low | 37 Ų | 37 | 48.9 Ų | 48.9 | 26% | 0.259 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -62.1 | -42.2 | 173.6 | -171.6 | 0 | 0 | 0 | 0 | 112.8 | P180 I181 A182 K188 | P180-S184 PolarHBondContact O-N 2.9Å; I181-S184 WeakPolarHBondContact O-CB 3.3Å; I181-S184 PolarHBondContact O-N 3.11Å; A182-S184 VanDerWaalsContact C-N 3.31Å; A182-S184 PolarHBondContact O-N 2.73Å; S184-K188 VanDerWaalsContact O-CG 3.3Å; S184-K188 WeakPolarHBondContact O-CG 3.16Å; S184-K188 PolarHBondContact O-N 2.82Å |
| 185 | Q | 72.7 | Confident | 69.9 | Low | 50 Ų | 50 | 52.7 Ų | 52.7 | 23% | 0.234 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -69.5 | -38.2 | 177.1 | -61.3 | -63.5 | 6 | 0 | 0 | 112.3 | E142 V146 I181 A182 K188 F189 | E142-Q185 HydrophobicContact CB-CG 4Å; V146-Q185 HydrophobicContact CG2-CB 4.18Å; I181-Q185 WeakPolarHBondContact O-CG 3.46Å; I181-Q185 PolarHBondContact O-N 3.21Å; A182-Q185 PolarHBondContact O-N 3.06Å; Q185-K188 PolarHBondContact O-N 3.44Å; Q185-F189 PolarHBondContact O-N 3.05Å |
| 186 | L | 74.5 | Confident | 70.5 | Confident | 17 Ų | 17 | 55.3 Ų | 55.3 | 9% | 0.089 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -67.7 | -37.7 | 176.6 | -170.1 | 145 | 0 | 0 | 0 | 111.8 | L171 A182 A183 F189 L190 L217 I250 | L171-L186 HydrophobicContact CD2-CD1 3.8Å; A182-L186 PolarHBondContact O-N 3.2Å; A183-L186 PolarHBondContact O-N 2.8Å; L186-F189 PolarHBondContact O-N 3.01Å; L186-L190 HydrophobicContact CD2-CD1 3.85Å; L186-L190 HydrophobicContact CD2-CG 4.44Å; L186-L190 PolarHBondContact O-N 2.83Å; L186-L217 HydrophobicContact CD1-CD1 4.33Å; L186-L217 HydrophobicContact CD2-CD1 4.4Å; L186-L217 HydrophobicContact CD2-CD2 4.15Å; L186-I250 HydrophobicContact CD2-CD1 4.4Å |
| 187 | A | 74.5 | Confident | 71 | Confident | 4 Ų | 4 | 50 Ų | 50 | 3% | 0.033 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -62.9 | -43.6 | 171 | 0 | 0 | 0 | 0 | 0 | 112.4 | A183 F189 L190 Q191 Y249 L253 | A183-A187 WeakPolarHBondContact O-CB 3.32Å; A183-A187 PolarHBondContact O-N 3.35Å; A187-F189 VanDerWaalsContact C-N 3.33Å; A187-F189 PolarHBondContact O-N 3.03Å; A187-L190 PolarHBondContact O-N 3.14Å; A187-Q191 WeakPolarHBondContact O-CB 3.16Å; A187-Q191 PolarHBondContact O-N 2.86Å; A187-Y249 HydrophobicContact CB-CD1 4.31Å; A187-Y249 HydrophobicContact CB-CE1 3.97Å; A187-L253 HydrophobicContact CB-CD1 3.78Å |
| 188 | K | 78.1 | Confident | 71.7 | Confident | 111 Ų | 111 | 51.6 Ų | 51.6 | 48% | 0.483 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -62.4 | -38 | 173.4 | -72.4 | 167.6 | -172.1 | 170.4 | 0 | 112.3 | S184 Q185 Q191 S192 | S184-K188 VanDerWaalsContact O-CG 3.3Å; S184-K188 WeakPolarHBondContact O-CG 3.16Å; S184-K188 PolarHBondContact O-N 2.82Å; Q185-K188 PolarHBondContact O-N 3.44Å; K188-Q191 PolarHBondContact O-N 2.82Å; K188-S192 PolarHBondContact O-N 2.7Å |
| 189 | F | 82.4 | Confident | 72.8 | Confident | 4 Ų | 4 | 50.2 Ų | 50.2 | 2% | 0.018 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -64.8 | -49.2 | 175.4 | 176.4 | -119.5 | 0 | 0 | 0 | 111.4 | V146 L149 N150 Q185 L186 A187 Q191 S192 L193 F213 | V146-F189 HydrophobicContact CG1-CB 4.21Å; V146-F189 HydrophobicContact CG1-CD2 3.86Å; V146-F189 HydrophobicContact CG1-CG 4.19Å; V146-F189 HydrophobicContact CG2-CB 4.21Å; L149-F189 HydrophobicContact CB-CD1 4.35Å; L149-F189 HydrophobicContact CB-CE1 3.65Å; L149-F189 HydrophobicContact CB-CZ 3.83Å; L149-F189 HydrophobicContact CD1-CD1 3.92Å; L149-F189 HydrophobicContact CD1-CE1 3.86Å; L149-F189 HydrophobicContact CG-CE1 4.33Å; N150-F189 VanDerWaalsContact ND2-CE2 3.31Å; N150-F189 WeakPolarHBondContact ND2-CE2 3.48Å; Q185-F189 PolarHBondContact O-N 3.05Å; L186-F189 PolarHBondContact O-N 3.01Å; A187-F189 VanDerWaalsContact C-N 3.33Å; A187-F189 PolarHBondContact O-N 3.03Å; F189-Q191 VanDerWaalsContact C-N 3.3Å; F189-Q191 PolarHBondContact O-N 2.95Å; F189-S192 CarbonylContact O-C 3.59Å; F189-S192 WeakPolarHBondContact O-CA 3.35Å; F189-S192 WeakPolarHBondContact O-CB 3.4Å; F189-S192 PolarHBondContact O-N 2.7Å; F189-S192 PolarHBondContact O-OG 2.99Å; F189-L193 HydrophobicContact CD1-CD1 4.15Å; F189-L193 HydrophobicContact CD2-CG 4.46Å; F189-L193 HydrophobicContact CE1-CD1 3.65Å; F189-L193 HydrophobicContact CE1-CG 4.29Å; F189-L193 HydrophobicContact CE2-CD1 4.31Å; F189-L193 HydrophobicContact CE2-CD2 4.07Å; F189-L193 HydrophobicContact CE2-CG 4.07Å; F189-L193 HydrophobicContact CZ-CD1 3.75Å; F189-L193 HydrophobicContact CZ-CD2 3.99Å; F189-L193 HydrophobicContact CZ-CG 3.99Å; F189-L193 PolarHBondContact O-N 3.12Å; F189-F213 HydrophobicContact CD1-CZ 4.13Å; F189-F213 HydrophobicContact CE1-CE1 4.24Å; F189-F213 HydrophobicContact CE1-CE2 4.3Å; F189-F213 AromaticContact CE1-CZ 3.86Å; F189-F213 HydrophobicContact CE1-CZ 3.86Å |
| 190 | L | 80.2 | Confident | 73.6 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -53.5 | -46.5 | 171.4 | -80.8 | 167.8 | 0 | 0 | 0 | 111.7 | L186 A187 S192 L193 I194 F213 L217 I250 L253 I254 L257 | L186-L190 HydrophobicContact CD2-CD1 3.85Å; L186-L190 HydrophobicContact CD2-CG 4.44Å; L186-L190 PolarHBondContact O-N 2.83Å; A187-L190 PolarHBondContact O-N 3.14Å; L190-S192 VanDerWaalsContact C-N 3.3Å; L190-S192 PolarHBondContact O-N 3.24Å; L190-L193 WeakPolarHBondContact O-CA 3.45Å; L190-L193 WeakPolarHBondContact O-CB 3.48Å; L190-L193 PolarHBondContact O-N 3.19Å; L190-I194 WeakPolarHBondContact O-CG1 3.33Å; L190-I194 PolarHBondContact O-N 2.87Å; L190-F213 HydrophobicContact CD2-CE1 3.84Å; L190-L217 HydrophobicContact CD1-CD2 4.18Å; L190-I250 HydrophobicContact CD1-CG2 4.12Å; L190-L253 HydrophobicContact CB-CB 4.27Å; L190-L253 HydrophobicContact CB-CD1 4.42Å; L190-L253 HydrophobicContact CD1-CB 4.2Å; L190-I254 HydrophobicContact CD1-CG1 4.33Å; L190-I254 HydrophobicContact CD2-CG1 4.45Å; L190-L257 HydrophobicContact CD2-CD2 4.31Å |
| 191 | Q | 80.8 | Confident | 74.2 | Confident | 100 Ų | 100 | 50.8 Ų | 50.8 | 47% | 0.467 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -62.6 | -36 | 177.6 | -162.8 | 174.2 | 15 | 0 | 0 | 112.3 | A187 K188 F189 I194 V195 | A187-Q191 WeakPolarHBondContact O-CB 3.16Å; A187-Q191 PolarHBondContact O-N 2.86Å; K188-Q191 PolarHBondContact O-N 2.82Å; F189-Q191 VanDerWaalsContact C-N 3.3Å; F189-Q191 PolarHBondContact O-N 2.95Å; Q191-I194 PolarHBondContact O-N 3.34Å; Q191-V195 WeakPolarHBondContact O-CG2 3.36Å; Q191-V195 PolarHBondContact O-N 3.33Å; Q191-V195 VanDerWaalsContact O-N 3.17Å |
| 192 | S | 83.1 | Confident | 75.2 | Confident | 44 Ų | 44 | 49.9 Ų | 49.9 | 31% | 0.308 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -69.1 | -32.7 | 172 | 83.7 | 0 | 0 | 0 | 0 | 113.2 | K188 F189 L190 V195 K196 | K188-S192 PolarHBondContact O-N 2.7Å; F189-S192 CarbonylContact O-C 3.59Å; F189-S192 WeakPolarHBondContact O-CA 3.35Å; F189-S192 WeakPolarHBondContact O-CB 3.4Å; F189-S192 PolarHBondContact O-N 2.7Å; F189-S192 PolarHBondContact O-OG 2.99Å; L190-S192 VanDerWaalsContact C-N 3.3Å; L190-S192 PolarHBondContact O-N 3.24Å; S192-V195 PolarHBondContact O-N 3.12Å; S192-K196 VanDerWaalsContact O-CG 3.31Å; S192-K196 WeakPolarHBondContact O-CG 3.1Å; S192-K196 PolarHBondContact O-N 3.27Å |
| 193 | L | 81.1 | Confident | 75.7 | Confident | 1 Ų | 1 | 49.2 Ų | 49.2 | 1% | 0.005 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -67.8 | -41.5 | 173.5 | -69.1 | 175.1 | 0 | 0 | 0 | 110.8 | M153 F189 L190 V195 K196 S197 W202 F213 L257 | M153-L193 HydrophobicContact CE-CD2 4.07Å; F189-L193 HydrophobicContact CD1-CD1 4.15Å; F189-L193 HydrophobicContact CD2-CG 4.46Å; F189-L193 HydrophobicContact CE1-CD1 3.65Å; F189-L193 HydrophobicContact CE1-CG 4.29Å; F189-L193 HydrophobicContact CE2-CD1 4.31Å; F189-L193 HydrophobicContact CE2-CD2 4.07Å; F189-L193 HydrophobicContact CE2-CG 4.07Å; F189-L193 HydrophobicContact CZ-CD1 3.75Å; F189-L193 HydrophobicContact CZ-CD2 3.99Å; F189-L193 HydrophobicContact CZ-CG 3.99Å; F189-L193 PolarHBondContact O-N 3.12Å; L190-L193 WeakPolarHBondContact O-CA 3.45Å; L190-L193 WeakPolarHBondContact O-CB 3.48Å; L190-L193 PolarHBondContact O-N 3.19Å; L193-V195 VanDerWaalsContact C-N 3.34Å; L193-V195 PolarHBondContact O-N 3.02Å; L193-K196 CarbonylContact O-C 3.56Å; L193-K196 PolarHBondContact O-N 2.95Å; L193-S197 WeakPolarHBondContact O-CB 3.08Å; L193-S197 PolarHBondContact O-N 2.87Å; L193-S197 PolarHBondContact O-OG 2.83Å; L193-S197 VanDerWaalsContact O-OG 3.1Å; L193-W202 HydrophobicContact CD2-CH2 3.83Å; L193-W202 HydrophobicContact CD2-CZ2 4.5Å; L193-F213 HydrophobicContact CD1-CD1 4.25Å; L193-F213 HydrophobicContact CD1-CE1 4Å; L193-L257 HydrophobicContact CB-CD1 3.89Å; L193-L257 HydrophobicContact CB-CD2 4.43Å |
| 194 | I | 79.9 | Confident | 75.9 | Confident | 18 Ų | 18 | 53.9 Ų | 53.9 | 9% | 0.092 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -57.1 | -47.9 | 174.1 | -63.8 | 167.7 | 0 | 0 | 0 | 110.3 | L190 Q191 K196 S197 Y198 L253 K256 L257 | L190-I194 WeakPolarHBondContact O-CG1 3.33Å; L190-I194 PolarHBondContact O-N 2.87Å; Q191-I194 PolarHBondContact O-N 3.34Å; I194-K196 VanDerWaalsContact C-N 3.33Å; I194-K196 PolarHBondContact O-N 2.92Å; I194-S197 WeakPolarHBondContact CA-OG 3.36Å; I194-S197 PolarHBondContact O-N 2.94Å; I194-S197 PolarHBondContact O-OG 2.89Å; I194-Y198 HydrophobicContact CG2-CE2 3.91Å; I194-Y198 WeakPolarHBondContact O-CD2 3.3Å; I194-L253 HydrophobicContact CD1-CD2 3.97Å; I194-K256 HydrophobicContact CD1-CB 3.87Å; I194-L257 HydrophobicContact CB-CD1 4.19Å; I194-L257 HydrophobicContact CG1-CB 4.02Å; I194-L257 HydrophobicContact CG1-CD1 3.57Å; I194-L257 HydrophobicContact CG1-CG 4.41Å |
| 195 | V | 80.3 | Confident | 76 | Confident | 108 Ų | 108 | 57.4 Ų | 57.4 | 66% | 0.655 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -63 | -38.4 | 178 | 173.5 | 0 | 0 | 0 | 0 | 111.9 | Q191 S192 L193 | Q191-V195 WeakPolarHBondContact O-CG2 3.36Å; Q191-V195 PolarHBondContact O-N 3.33Å; Q191-V195 VanDerWaalsContact O-N 3.17Å; S192-V195 PolarHBondContact O-N 3.12Å; L193-V195 VanDerWaalsContact C-N 3.34Å; L193-V195 PolarHBondContact O-N 3.02Å |
| 196 | K | 76.7 | Confident | 76.2 | Confident | 76 Ų | 76 | 55.3 Ų | 55.3 | 33% | 0.33 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -72.3 | -36.1 | 176.1 | -71.8 | 174.6 | -178.4 | 176.8 | 0 | 113.2 | N150 S192 L193 I194 Y198 N199 W202 | N150-K196 PolarHBondContact OD1-NZ 3.35Å; S192-K196 VanDerWaalsContact O-CG 3.31Å; S192-K196 WeakPolarHBondContact O-CG 3.1Å; S192-K196 PolarHBondContact O-N 3.27Å; L193-K196 CarbonylContact O-C 3.56Å; L193-K196 PolarHBondContact O-N 2.95Å; I194-K196 VanDerWaalsContact C-N 3.33Å; I194-K196 PolarHBondContact O-N 2.92Å; K196-Y198 VanDerWaalsContact C-N 3.27Å; K196-Y198 PolarHBondContact O-N 2.83Å; K196-N199 WeakPolarHBondContact O-CB 3.39Å; K196-N199 PolarHBondContact O-N 3Å; K196-W202 HydrophobicContact CB-CD2 3.92Å; K196-W202 HydrophobicContact CB-CE3 3.58Å; K196-W202 HydrophobicContact CB-CH2 3.85Å; K196-W202 HydrophobicContact CB-CZ2 4.17Å; K196-W202 HydrophobicContact CB-CZ3 3.53Å; K196-W202 HydrophobicContact CD-CH2 4.05Å; K196-W202 HydrophobicContact CD-CZ2 3.76Å |
| 197 | S | 72.3 | Confident | 76.3 | Confident | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -69.8 | -19.6 | -173.7 | 54.6 | 0 | 0 | 0 | 0 | 114.1 | L193 I194 N199 C203 V260 H264 | L193-S197 WeakPolarHBondContact O-CB 3.08Å; L193-S197 PolarHBondContact O-N 2.87Å; L193-S197 PolarHBondContact O-OG 2.83Å; L193-S197 VanDerWaalsContact O-OG 3.1Å; I194-S197 WeakPolarHBondContact CA-OG 3.36Å; I194-S197 PolarHBondContact O-N 2.94Å; I194-S197 PolarHBondContact O-OG 2.89Å; S197-N199 PolarHBondContact O-N 2.98Å; S197-C203 WeakPolarHBondContact O-CB 3.4Å; S197-C203 PolarHBondContact O-SG 2.88Å; S197-V260 WeakPolarHBondContact OG-CG1 3.38Å; S197-H264 PolarHBondContact O-CD2 3.25Å; S197-H264 PolarHBondContact O-NE2 3.36Å |
| 198 | Y | 74.5 | Confident | 76.2 | Confident | 146 Ų | 146 | 58.2 Ų | 58.2 | 57% | 0.573 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | -18.7 | 168.5 | -72.8 | -67.4 | 0 | 0 | 0 | 113.7 | I194 K196 F200 V260 | I194-Y198 HydrophobicContact CG2-CE2 3.91Å; I194-Y198 WeakPolarHBondContact O-CD2 3.3Å; K196-Y198 VanDerWaalsContact C-N 3.27Å; K196-Y198 PolarHBondContact O-N 2.83Å; Y198-F200 PolarHBondContact O-N 2.91Å; Y198-V260 HydrophobicContact CD1-CG1 3.79Å; Y198-V260 HydrophobicContact CD1-CG2 4.28Å; Y198-V260 HydrophobicContact CE1-CB 4.42Å; Y198-V260 HydrophobicContact CE1-CG1 3.93Å; Y198-V260 HydrophobicContact CE1-CG2 3.58Å; Y198-V260 HydrophobicContact CE2-CG2 4.12Å; Y198-V260 HydrophobicContact CG-CG1 4.14Å; Y198-V260 VanDerWaalsContact CZ-CG2 3.48Å |
| 199 | N | 74.1 | Confident | 76.1 | Confident | 91 Ų | 91 | 53 Ų | 53 | 49% | 0.487 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -84.9 | 101.5 | 174.3 | -176.7 | -4.7 | 0 | 0 | 0 | 109.7 | K196 S197 S201 W202 C203 | K196-N199 WeakPolarHBondContact O-CB 3.39Å; K196-N199 PolarHBondContact O-N 3Å; S197-N199 PolarHBondContact O-N 2.98Å; N199-S201 VanDerWaalsContact C-N 3.3Å; N199-S201 PolarHBondContact O-N 3.26Å; N199-S201 VanDerWaalsContact O-N 3.16Å; N199-S201 PolarHBondContact OD1-OG 3.48Å; N199-S201 VanDerWaalsContact OD1-OG 3.13Å; N199-W202 HydrophobicContact CB-CB 4.24Å; N199-W202 PolarHBondContact O-N 3.45Å; N199-C203 WeakPolarHBondContact O-CB 3.26Å; N199-C203 PolarHBondContact O-N 3.21Å |
| 200 | F | 70.8 | Confident | 76 | Confident | 76 Ų | 76 | 52.8 Ų | 52.8 | 33% | 0.333 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -49.2 | -43 | -173.8 | -174.2 | -102.7 | 0 | 0 | 0 | 114.2 | Y198 C203 Q204 H264 T267 | Y198-F200 PolarHBondContact O-N 2.91Å; F200-C203 PolarHBondContact O-N 3.07Å; F200-Q204 WeakPolarHBondContact O-CB 3.4Å; F200-Q204 PolarHBondContact O-N 3.04Å; F200-H264 HydrophobicContact CD2-CB 4.39Å; F200-H264 AromaticContact CD2-ND1 3.85Å; F200-T267 VanDerWaalsContact CE2-OG1 3.3Å; F200-T267 WeakPolarHBondContact CE2-OG1 3.28Å |
| 201 | S | 70.6 | Confident | 75.8 | Confident | 70 Ų | 70 | 52.9 Ų | 52.9 | 49% | 0.49 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -69.5 | -37.8 | -178.7 | 61.3 | 0 | 0 | 0 | 0 | 112.9 | N199 I205 | N199-S201 VanDerWaalsContact C-N 3.3Å; N199-S201 PolarHBondContact O-N 3.26Å; N199-S201 VanDerWaalsContact O-N 3.16Å; N199-S201 PolarHBondContact OD1-OG 3.48Å; N199-S201 VanDerWaalsContact OD1-OG 3.13Å; S201-I205 WeakPolarHBondContact O-CG1 3.48Å |
| 202 | W | 80.3 | Confident | 75.7 | Confident | 58 Ų | 58 | 50.1 Ų | 50.1 | 22% | 0.22 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -69.9 | -38.4 | 172.8 | -175.4 | 85.9 | 0 | 0 | 0 | 111.3 | M153 L193 K196 N199 N206 I210 | M153-W202 HydrophobicContact CE-CH2 3.81Å; M153-W202 HydrophobicContact CE-CZ2 3.98Å; L193-W202 HydrophobicContact CD2-CH2 3.83Å; L193-W202 HydrophobicContact CD2-CZ2 4.5Å; K196-W202 HydrophobicContact CB-CD2 3.92Å; K196-W202 HydrophobicContact CB-CE3 3.58Å; K196-W202 HydrophobicContact CB-CH2 3.85Å; K196-W202 HydrophobicContact CB-CZ2 4.17Å; K196-W202 HydrophobicContact CB-CZ3 3.53Å; K196-W202 HydrophobicContact CD-CH2 4.05Å; K196-W202 HydrophobicContact CD-CZ2 3.76Å; N199-W202 HydrophobicContact CB-CB 4.24Å; N199-W202 PolarHBondContact O-N 3.45Å; W202-N206 HydrophobicContact CH2-CB 4.22Å; W202-N206 HydrophobicContact CZ2-CB 4.2Å; W202-N206 HydrophobicContact CZ3-CB 4.44Å; W202-N206 PolarHBondContact NE1-ND2 2.74Å; W202-N206 PolarHBondContact O-N 2.84Å; W202-N206 VanDerWaalsContact O-N 3.17Å; W202-N206 PolarHBondContact O-ND2 3.24Å; W202-I210 HydrophobicContact CH2-CD1 4.03Å; W202-I210 HydrophobicContact CZ3-CD1 3.73Å |
| 203 | C | 71.2 | Confident | 75.6 | Confident | 3 Ų | 3 | 48 Ų | 48 | 2% | 0.02 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -64.7 | -47.4 | 178.9 | -157.3 | 0 | 0 | 0 | 0 | 111.4 | S197 N199 F200 I205 N206 H207 | S197-C203 WeakPolarHBondContact O-CB 3.4Å; S197-C203 PolarHBondContact O-SG 2.88Å; N199-C203 WeakPolarHBondContact O-CB 3.26Å; N199-C203 PolarHBondContact O-N 3.21Å; F200-C203 PolarHBondContact O-N 3.07Å; C203-I205 VanDerWaalsContact C-N 3.29Å; C203-I205 PolarHBondContact O-N 2.8Å; C203-N206 CarbonylContact O-C 3.6Å; C203-N206 PolarHBondContact O-N 3.1Å; C203-N206 VanDerWaalsContact O-N 3.11Å; C203-H207 WeakPolarHBondContact O-CA 3.47Å; C203-H207 WeakPolarHBondContact O-CB 3.27Å; C203-H207 PolarHBondContact O-N 2.74Å |
| 204 | Q | 67.7 | Low | 75.5 | Confident | 117 Ų | 117 | 48 Ų | 48 | 55% | 0.547 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -57.1 | -39.4 | 178.9 | -170.2 | 179.6 | 12.2 | 0 | 0 | 112.8 | F200 | F200-Q204 WeakPolarHBondContact O-CB 3.4Å; F200-Q204 PolarHBondContact O-N 3.04Å |
| 205 | I | 70.4 | Confident | 75.4 | Confident | 112 Ų | 112 | 49.9 Ų | 49.9 | 57% | 0.574 | 25% | 0.25 | S | C | * | . | H | α-helix | trans | -72 | -37.9 | 177.8 | -66.8 | 169.4 | 0 | 0 | 0 | 111.7 | S157 S201 C203 | S157-I205 WeakPolarHBondContact CB-O 3.37Å; S201-I205 WeakPolarHBondContact O-CG1 3.48Å; C203-I205 VanDerWaalsContact C-N 3.29Å; C203-I205 PolarHBondContact O-N 2.8Å |
| 206 | N | 76.3 | Confident | 75.2 | Confident | 6 Ų | 6 | 44.8 Ų | 44.8 | 3% | 0.032 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -101.3 | -4.9 | -171.3 | -65.3 | -82.1 | 0 | 0 | 0 | 114.7 | M153 S157 W202 C203 C208 A209 I210 | M153-N206 HydrophobicContact CE-CB 3.98Å; S157-N206 VanDerWaalsContact CB-OD1 3.23Å; S157-N206 WeakPolarHBondContact CB-OD1 3.27Å; S157-N206 PolarHBondContact OG-OD1 3.21Å; W202-N206 HydrophobicContact CH2-CB 4.22Å; W202-N206 HydrophobicContact CZ2-CB 4.2Å; W202-N206 HydrophobicContact CZ3-CB 4.44Å; W202-N206 PolarHBondContact NE1-ND2 2.74Å; W202-N206 PolarHBondContact O-N 2.84Å; W202-N206 VanDerWaalsContact O-N 3.17Å; W202-N206 PolarHBondContact O-ND2 3.24Å; C203-N206 CarbonylContact O-C 3.6Å; C203-N206 PolarHBondContact O-N 3.1Å; C203-N206 VanDerWaalsContact O-N 3.11Å; N206-C208 VanDerWaalsContact C-N 3.31Å; N206-C208 PolarHBondContact O-N 3.36Å; N206-C208 VanDerWaalsContact O-N 3.14Å; N206-A209 WeakPolarHBondContact O-CA 3.43Å; N206-A209 WeakPolarHBondContact O-CB 3.45Å; N206-A209 PolarHBondContact O-N 3.11Å; N206-I210 HydrophobicContact CB-CD1 4.11Å; N206-I210 HydrophobicContact CB-CG1 4.34Å; N206-I210 WeakPolarHBondContact O-CG1 3.49Å; N206-I210 PolarHBondContact O-N 2.65Å |
| 207 | H | 76.2 | Confident | 75.2 | Confident | 25 Ų | 25 | 41.2 Ų | 41.2 | 12% | 0.116 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -46.6 | -48.7 | -172.4 | -170.2 | -104.7 | 0 | 0 | 0 | 113.8 | C203 A209 I210 L211 | C203-H207 WeakPolarHBondContact O-CA 3.47Å; C203-H207 WeakPolarHBondContact O-CB 3.27Å; C203-H207 PolarHBondContact O-N 2.74Å; H207-A209 PolarHBondContact O-N 2.96Å; H207-I210 PolarHBondContact O-N 2.88Å; H207-L211 VanDerWaalsContact CE1-CD1 3.41Å; H207-L211 WeakPolarHBondContact CE1-CD1 3.3Å; H207-L211 PolarHBondContact O-N 3.44Å; H207-L211 VanDerWaalsContact O-N 3.14Å |
| 208 | C | 73.2 | Confident | 75.3 | Confident | 57 Ų | 57 | 42 Ų | 42 | 39% | 0.385 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -70.5 | -28 | -179.4 | -64.5 | 0 | 0 | 0 | 0 | 113.6 | Y156 N206 Q212 | Y156-C208 HydrophobicContact CE1-CB 4.06Å; N206-C208 VanDerWaalsContact C-N 3.31Å; N206-C208 PolarHBondContact O-N 3.36Å; N206-C208 VanDerWaalsContact O-N 3.14Å; C208-Q212 WeakPolarHBondContact O-CB 3.42Å; C208-Q212 PolarHBondContact O-N 3.15Å |
| 209 | A | 75.5 | Confident | 75.1 | Confident | 1 Ų | 1 | 40.1 Ų | 40.1 | 1% | 0.008 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -73.7 | -42.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | W152 M153 Y156 N206 H207 Q212 F213 | W152-A209 HydrophobicContact CZ3-CB 4.31Å; M153-A209 HydrophobicContact CE-CB 4.38Å; M153-A209 HydrophobicContact SD-CB 3.58Å; M153-A209 VanDerWaalsContact SD-CB 3.58Å; Y156-A209 HydrophobicContact CD1-CB 3.61Å; Y156-A209 HydrophobicContact CE1-CB 4.31Å; Y156-A209 HydrophobicContact CG-CB 4.21Å; N206-A209 WeakPolarHBondContact O-CA 3.43Å; N206-A209 WeakPolarHBondContact O-CB 3.45Å; N206-A209 PolarHBondContact O-N 3.11Å; H207-A209 PolarHBondContact O-N 2.96Å; A209-Q212 PolarHBondContact O-N 2.95Å; A209-F213 WeakPolarHBondContact O-CB 3.48Å; A209-F213 PolarHBondContact O-N 3Å |
| 210 | I | 79.8 | Confident | 74.9 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -64.8 | -45.1 | -179.3 | -55.9 | 163.7 | 0 | 0 | 0 | 110.8 | M153 W202 N206 H207 F213 C214 L257 L261 | M153-I210 HydrophobicContact CE-CD1 4.48Å; M153-I210 HydrophobicContact CE-CG1 3.67Å; M153-I210 HydrophobicContact SD-CG1 4.15Å; W202-I210 HydrophobicContact CH2-CD1 4.03Å; W202-I210 HydrophobicContact CZ3-CD1 3.73Å; N206-I210 HydrophobicContact CB-CD1 4.11Å; N206-I210 HydrophobicContact CB-CG1 4.34Å; N206-I210 WeakPolarHBondContact O-CG1 3.49Å; N206-I210 PolarHBondContact O-N 2.65Å; H207-I210 PolarHBondContact O-N 2.88Å; I210-F213 PolarHBondContact O-N 3.11Å; I210-C214 PolarHBondContact O-N 3.24Å; I210-L257 HydrophobicContact CG2-CD2 3.48Å; I210-L257 VanDerWaalsContact CG2-CD2 3.48Å; I210-L257 HydrophobicContact CG2-CG 4.11Å; I210-L261 HydrophobicContact CB-CD1 4.46Å; I210-L261 HydrophobicContact CD1-CD2 4.24Å; I210-L261 HydrophobicContact CG2-CD1 3.81Å |
| 211 | L | 76.9 | Confident | 74.7 | Confident | 2 Ų | 2 | 33.1 Ų | 33.1 | 1% | 0.01 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -64.7 | -42.3 | 178.9 | -75.9 | 167.2 | 0 | 0 | 0 | 112.2 | H207 F213 C214 Q215 L258 L261 L278 L282 | H207-L211 VanDerWaalsContact CE1-CD1 3.41Å; H207-L211 WeakPolarHBondContact CE1-CD1 3.3Å; H207-L211 PolarHBondContact O-N 3.44Å; H207-L211 VanDerWaalsContact O-N 3.14Å; L211-F213 VanDerWaalsContact C-N 3.35Å; L211-F213 PolarHBondContact O-N 3.22Å; L211-C214 PolarHBondContact O-N 2.97Å; L211-Q215 WeakPolarHBondContact O-CB 3.24Å; L211-Q215 PolarHBondContact O-N 3.3Å; L211-L258 HydrophobicContact CD2-CD2 3.75Å; L211-L261 HydrophobicContact CD2-CD1 4.1Å; L211-L261 HydrophobicContact CG-CD1 4.32Å; L211-L278 HydrophobicContact CB-CD2 4.13Å; L211-L278 HydrophobicContact CD1-CD2 3.75Å; L211-L282 HydrophobicContact CD1-CD1 4.28Å; L211-L282 HydrophobicContact CD2-CD1 3.97Å; L211-L282 HydrophobicContact CD2-CG 4.01Å |
| 212 | Q | 78.4 | Confident | 74.3 | Confident | 41 Ų | 41 | 34 Ų | 34 | 19% | 0.192 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -63.7 | -40 | 175.4 | -168.8 | 70.4 | 16.9 | 0 | 0 | 111.6 | W152 N166 C208 A209 T216 | W152-Q212 HydrophobicContact CH2-CB 4.17Å; W152-Q212 HydrophobicContact CH2-CG 4.3Å; W152-Q212 HydrophobicContact CZ2-CG 4.44Å; N166-Q212 PolarHBondContact OD1-NE2 3.22Å; C208-Q212 WeakPolarHBondContact O-CB 3.42Å; C208-Q212 PolarHBondContact O-N 3.15Å; A209-Q212 PolarHBondContact O-N 2.95Å; Q212-T216 WeakPolarHBondContact O-CB 3.5Å; Q212-T216 PolarHBondContact O-N 2.97Å; Q212-T216 PolarHBondContact O-OG1 2.73Å |
| 213 | F | 82.3 | Confident | 73.2 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -61.5 | -47.5 | 174 | 172.7 | -105 | 0 | 0 | 0 | 112.2 | L149 W152 P167 L171 F189 L190 L193 A209 I210 L211 T216 L217 | L149-F213 HydrophobicContact CD1-CE2 3.92Å; L149-F213 HydrophobicContact CD1-CZ 4.29Å; L149-F213 HydrophobicContact CD2-CD2 4.02Å; L149-F213 HydrophobicContact CD2-CE2 3.61Å; L149-F213 HydrophobicContact CG-CE2 4.34Å; W152-F213 HydrophobicContact CH2-CB 4.5Å; W152-F213 HydrophobicContact CZ3-CB 4.03Å; P167-F213 HydrophobicContact CG-CD2 4.32Å; L171-F213 HydrophobicContact CD1-CD2 4.09Å; L171-F213 HydrophobicContact CD1-CE2 3.89Å; L171-F213 HydrophobicContact CD2-CE2 4.09Å; F189-F213 HydrophobicContact CD1-CZ 4.13Å; F189-F213 HydrophobicContact CE1-CE1 4.24Å; F189-F213 HydrophobicContact CE1-CE2 4.3Å; F189-F213 AromaticContact CE1-CZ 3.86Å; F189-F213 HydrophobicContact CE1-CZ 3.86Å; L190-F213 HydrophobicContact CD2-CE1 3.84Å; L193-F213 HydrophobicContact CD1-CD1 4.25Å; L193-F213 HydrophobicContact CD1-CE1 4Å; A209-F213 WeakPolarHBondContact O-CB 3.48Å; A209-F213 PolarHBondContact O-N 3Å; I210-F213 PolarHBondContact O-N 3.11Å; L211-F213 VanDerWaalsContact C-N 3.35Å; L211-F213 PolarHBondContact O-N 3.22Å; F213-T216 PolarHBondContact O-N 2.72Å; F213-L217 HydrophobicContact CZ-CD2 4.49Å; F213-L217 WeakPolarHBondContact O-CB 3.18Å; F213-L217 PolarHBondContact O-N 3.33Å |
| 214 | C | 77.9 | Confident | 72.3 | Confident | 1 Ų | 1 | 37.3 Ų | 37.3 | 1% | 0.007 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -62.4 | -47.2 | 176.8 | -75.6 | 0 | 0 | 0 | 0 | 112.5 | I210 L211 T216 L217 L218 I254 L258 | I210-C214 PolarHBondContact O-N 3.24Å; L211-C214 PolarHBondContact O-N 2.97Å; C214-T216 VanDerWaalsContact C-N 3.31Å; C214-T216 PolarHBondContact O-N 2.81Å; C214-L217 PolarHBondContact O-N 2.92Å; C214-L218 WeakPolarHBondContact O-CB 3.48Å; C214-L218 WeakPolarHBondContact O-CG 3.4Å; C214-L218 PolarHBondContact O-N 3.48Å; C214-I254 HydrophobicContact CB-CG2 4.28Å; C214-L258 HydrophobicContact CB-CD2 4.49Å |
| 215 | Q | 77.2 | Confident | 71.1 | Confident | 58 Ų | 58 | 40.7 Ų | 40.7 | 27% | 0.271 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -58.4 | -45.1 | 177.4 | -177.7 | 177.2 | -17.9 | 0 | 0 | 111.1 | L211 L217 L218 Q219 L285 | L211-Q215 WeakPolarHBondContact O-CB 3.24Å; L211-Q215 PolarHBondContact O-N 3.3Å; Q215-L217 PolarHBondContact O-N 3.46Å; Q215-L218 PolarHBondContact O-N 2.67Å; Q215-Q219 WeakPolarHBondContact O-CG 3.32Å; Q215-Q219 PolarHBondContact O-N 3.38Å; Q215-L285 HydrophobicContact CB-CD1 4.37Å |
| 216 | T | 76.6 | Confident | 70 | Confident | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.006 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -59.1 | -46.7 | 176.1 | -55.3 | 0 | 0 | 0 | 0 | 111.8 | P167 E168 L171 Q212 F213 C214 L218 L220 | P167-T216 HydrophobicContact CG-CG2 4.08Å; E168-T216 HydrophobicContact CB-CG2 4.43Å; E168-T216 HydrophobicContact CG-CG2 3.34Å; L171-T216 HydrophobicContact CD1-CG2 4.02Å; Q212-T216 WeakPolarHBondContact O-CB 3.5Å; Q212-T216 PolarHBondContact O-N 2.97Å; Q212-T216 PolarHBondContact O-OG1 2.73Å; F213-T216 PolarHBondContact O-N 2.72Å; C214-T216 VanDerWaalsContact C-N 3.31Å; C214-T216 PolarHBondContact O-N 2.81Å; T216-L218 VanDerWaalsContact C-N 3.35Å; T216-L218 PolarHBondContact O-N 3.32Å; T216-L220 PolarHBondContact O-N 3.34Å; T216-L220 VanDerWaalsContact O-N 3.13Å |
| 217 | L | 77.5 | Confident | 68.4 | Low | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.005 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -66.3 | -37 | -178.9 | -165.9 | 70.6 | 0 | 0 | 0 | 111.9 | L171 V175 L186 L190 F213 C214 Q215 L220 L221 I250 I254 | L171-L217 HydrophobicContact CD1-CD1 4.19Å; L171-L217 HydrophobicContact CD2-CD1 4.02Å; V175-L217 HydrophobicContact CG2-CD1 4.4Å; L186-L217 HydrophobicContact CD1-CD1 4.33Å; L186-L217 HydrophobicContact CD2-CD1 4.4Å; L186-L217 HydrophobicContact CD2-CD2 4.15Å; L190-L217 HydrophobicContact CD1-CD2 4.18Å; F213-L217 HydrophobicContact CZ-CD2 4.49Å; F213-L217 WeakPolarHBondContact O-CB 3.18Å; F213-L217 PolarHBondContact O-N 3.33Å; C214-L217 PolarHBondContact O-N 2.92Å; Q215-L217 PolarHBondContact O-N 3.46Å; L217-L220 WeakPolarHBondContact O-CB 3.4Å; L217-L220 PolarHBondContact O-N 2.72Å; L217-L221 HydrophobicContact CG-CD1 4.15Å; L217-L221 VanDerWaalsContact O-CG 3.23Å; L217-L221 WeakPolarHBondContact O-CG 3.4Å; L217-L221 PolarHBondContact O-N 2.75Å; L217-I250 HydrophobicContact CD2-CG2 4.3Å; L217-I254 HydrophobicContact CD2-CD1 3.78Å; L217-I254 HydrophobicContact CD2-CG1 4.17Å; L217-I254 HydrophobicContact CG-CD1 4.34Å |
| 218 | L | 73.4 | Confident | 66.7 | Low | 17 Ų | 17 | 47.9 Ų | 47.9 | 9% | 0.089 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -70.5 | -43.8 | 178 | -68.8 | 166.6 | 0 | 0 | 0 | 112.3 | C214 Q215 T216 L220 L221 S222 Y251 I254 L285 L289 | C214-L218 WeakPolarHBondContact O-CB 3.48Å; C214-L218 WeakPolarHBondContact O-CG 3.4Å; C214-L218 PolarHBondContact O-N 3.48Å; Q215-L218 PolarHBondContact O-N 2.67Å; T216-L218 VanDerWaalsContact C-N 3.35Å; T216-L218 PolarHBondContact O-N 3.32Å; L218-L220 PolarHBondContact O-N 3.02Å; L218-L221 PolarHBondContact O-N 2.82Å; L218-S222 WeakPolarHBondContact O-CB 3.29Å; L218-S222 PolarHBondContact O-N 3.04Å; L218-S222 PolarHBondContact O-OG 2.84Å; L218-Y251 HydrophobicContact CD2-CD1 3.79Å; L218-Y251 HydrophobicContact CD2-CE1 3.75Å; L218-I254 HydrophobicContact CD1-CG2 4.08Å; L218-I254 HydrophobicContact CD2-CD1 3.68Å; L218-I254 HydrophobicContact CD2-CG2 4.17Å; L218-I254 HydrophobicContact CG-CD1 4.21Å; L218-I254 HydrophobicContact CG-CG2 4.27Å; L218-L285 HydrophobicContact CD1-CB 4.36Å; L218-L285 HydrophobicContact CD1-CD1 3.97Å; L218-L285 HydrophobicContact CD1-CD2 4.02Å; L218-L285 HydrophobicContact CD1-CG 4.35Å; L218-L289 HydrophobicContact CD1-CD1 3.88Å; L218-L289 HydrophobicContact CD2-CD1 4Å; L218-L289 HydrophobicContact CD2-CD2 3.84Å; L218-L289 HydrophobicContact CD2-CG 3.99Å |
| 219 | Q | 71.8 | Confident | 65 | Low | 105 Ų | 105 | 50.3 Ų | 50.3 | 49% | 0.491 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -58.3 | -39.5 | 173.5 | -72.5 | -177.1 | -96.3 | 0 | 0 | 111.5 | Q215 S222 S223 | Q215-Q219 WeakPolarHBondContact O-CG 3.32Å; Q215-Q219 PolarHBondContact O-N 3.38Å; Q219-S222 WeakPolarHBondContact CA-OG 3.32Å; Q219-S222 PolarHBondContact O-OG 2.84Å; Q219-S223 PolarHBondContact O-N 2.87Å; Q219-S223 VanDerWaalsContact O-N 3.12Å |
| 220 | L | 69.7 | Low | 63.3 | Low | 10 Ų | 10 | 54.5 Ų | 54.5 | 5% | 0.052 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -62.2 | -53.5 | 174.1 | -103 | 163.8 | 0 | 0 | 0 | 112.4 | L171 V172 V175 T216 L217 L218 S222 S223 T224 | L171-L220 HydrophobicContact CB-CD1 3.49Å; L171-L220 VanDerWaalsContact CB-CD1 3.49Å; V172-L220 HydrophobicContact CB-CD2 4.23Å; V172-L220 HydrophobicContact CG1-CD2 4.41Å; V172-L220 HydrophobicContact CG2-CD1 3.93Å; V172-L220 HydrophobicContact CG2-CD2 3.94Å; V172-L220 HydrophobicContact CG2-CG 4.27Å; V175-L220 HydrophobicContact CB-CD2 4.44Å; V175-L220 HydrophobicContact CG1-CD2 4.49Å; T216-L220 PolarHBondContact O-N 3.34Å; T216-L220 VanDerWaalsContact O-N 3.13Å; L217-L220 WeakPolarHBondContact O-CB 3.4Å; L217-L220 PolarHBondContact O-N 2.72Å; L218-L220 PolarHBondContact O-N 3.02Å; L220-S222 VanDerWaalsContact C-N 3.26Å; L220-S222 PolarHBondContact O-N 3.32Å; L220-S223 PolarHBondContact O-N 3.11Å; L220-S223 VanDerWaalsContact O-N 3.07Å; L220-S223 PolarHBondContact O-OG 3.08Å; L220-T224 PolarHBondContact O-N 3.41Å |
| 221 | L | 66 | Low | 61 | Low | 11 Ų | 11 | 60.5 Ų | 60.5 | 6% | 0.058 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -65.1 | -27.6 | -179 | -66.3 | 165.7 | 0 | 0 | 0 | 112.8 | V175 L217 L218 T224 T247 I250 Y251 I254 | V175-L221 HydrophobicContact CG1-CD2 4.13Å; L217-L221 HydrophobicContact CG-CD1 4.15Å; L217-L221 VanDerWaalsContact O-CG 3.23Å; L217-L221 WeakPolarHBondContact O-CG 3.4Å; L217-L221 PolarHBondContact O-N 2.75Å; L218-L221 PolarHBondContact O-N 2.82Å; L221-T224 PolarHBondContact O-OG1 2.99Å; L221-T247 HydrophobicContact CD2-CG2 3.97Å; L221-I250 HydrophobicContact CD1-CG2 3.8Å; L221-Y251 HydrophobicContact CB-CE1 3.88Å; L221-Y251 VanDerWaalsContact CB-OH 3.31Å; L221-Y251 WeakPolarHBondContact CB-OH 3.14Å; L221-Y251 HydrophobicContact CD1-CD1 4.22Å; L221-Y251 HydrophobicContact CD1-CE1 3.95Å; L221-Y251 PolarHBondContact O-OH 3.23Å; L221-I254 HydrophobicContact CD1-CD1 4Å |
| 222 | S | 61.8 | Low | 58.6 | Low | 87 Ų | 87 | 67.1 Ų | 67.1 | 61% | 0.608 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -78 | -22.9 | 173.3 | 66.1 | 0 | 0 | 0 | 0 | 113.8 | L218 Q219 L220 | L218-S222 WeakPolarHBondContact O-CB 3.29Å; L218-S222 PolarHBondContact O-N 3.04Å; L218-S222 PolarHBondContact O-OG 2.84Å; Q219-S222 WeakPolarHBondContact CA-OG 3.32Å; Q219-S222 PolarHBondContact O-OG 2.84Å; L220-S222 VanDerWaalsContact C-N 3.26Å; L220-S222 PolarHBondContact O-N 3.32Å |
| 223 | S | 57 | Low | 56.1 | Low | 82 Ų | 82 | 71.4 Ų | 71.4 | 57% | 0.573 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -76.1 | -24.6 | 176.2 | 75.4 | 0 | 0 | 0 | 0 | 113.1 | Q219 L220 | Q219-S223 PolarHBondContact O-N 2.87Å; Q219-S223 VanDerWaalsContact O-N 3.12Å; L220-S223 PolarHBondContact O-N 3.11Å; L220-S223 VanDerWaalsContact O-N 3.07Å; L220-S223 PolarHBondContact O-OG 3.08Å |
| 224 | T | 52 | Low | 53.5 | Low | 49 Ų | 49 | 80.4 Ų | 80.4 | 30% | 0.301 | 42% | 0.42 | S | S | . | . | S | Bend | trans | -87.9 | 116.2 | 176.5 | 49 | 0 | 0 | 0 | 0 | 110.9 | V175 L220 L221 F226 | V175-T224 HydrophobicContact CG1-CG2 4.49Å; L220-T224 PolarHBondContact O-N 3.41Å; L221-T224 PolarHBondContact O-OG1 2.99Å; T224-F226 PolarHBondContact O-N 2.68Å |
| 225 | K | 44.3 | Very low | 51 | Low | 189 Ų | 189 | 86.7 Ų | 86.7 | 82% | 0.822 | 46% | 0.458 | S | S | * | . | trans | -53.9 | 130.4 | 176 | -70.2 | -173.6 | 177 | -175.7 | 0 | 111 | N227 | K225-N227 PolarHBondContact O-N 3.34Š| ||
| 226 | F | 46 | Very low | 48.6 | Very low | 75 Ų | 75 | 91.1 Ų | 91.1 | 33% | 0.329 | 48% | 0.484 | S | S | . | . | trans | -60.4 | 105.4 | 172.4 | -91.8 | -92.2 | 0 | 0 | 0 | 110.3 | T224 F228 V248 Y251 V292 | T224-F226 PolarHBondContact O-N 2.68Å; F226-F228 HydrophobicContact CB-CE2 4.24Å; F226-F228 PolarHBondContact O-N 2.74Å; F226-V248 HydrophobicContact CE1-CG2 4.44Å; F226-Y251 HydrophobicContact CE1-CE2 4.33Å; F226-Y251 HydrophobicContact CE2-CE2 4.1Å; F226-Y251 HydrophobicContact CZ-CD2 4.24Å; F226-Y251 AromaticContact CZ-CE2 3.51Å; F226-Y251 HydrophobicContact CZ-CE2 3.51Å; F226-V292 HydrophobicContact CZ-CG1 3.9Å | ||
| 227 | N | 42.7 | Very low | 46.2 | Very low | 112 Ų | 112 | 97 Ų | 97 | 60% | 0.599 | 52% | 0.52 | S | S | * | . | trans | -93.8 | 98.8 | -179.7 | -166.1 | -4.4 | 0 | 0 | 0 | 110.4 | K225 I229 | K225-N227 PolarHBondContact O-N 3.34Å; N227-I229 PolarHBondContact O-N 3.19Å; N227-I229 WeakPolarHBondContact OD1-CB 3.33Å; N227-I229 WeakPolarHBondContact OD1-CG1 3.47Å; N227-I229 PolarHBondContact OD1-N 3.23Å | ||
| 228 | F | 40.3 | Very low | 43.8 | Very low | 107 Ų | 107 | 103.2 Ų | 103.2 | 47% | 0.469 | 56% | 0.558 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -69.9 | -9 | -177.9 | -83.2 | -93.2 | 0 | 0 | 0 | 114.4 | F226 S230 | F226-F228 HydrophobicContact CB-CE2 4.24Å; F226-F228 PolarHBondContact O-N 2.74Å; F228-S230 VanDerWaalsContact C-N 3.35Å; F228-S230 PolarHBondContact O-N 2.94Å |
| 229 | I | 38.7 | Very low | 41.7 | Very low | 107 Ų | 107 | 113.6 Ų | 113.6 | 55% | 0.549 | 60% | 0.598 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -73.7 | -21 | -166.3 | -62.2 | 172.5 | 0 | 0 | 0 | 113.2 | N227 L231 N325 | N227-I229 PolarHBondContact O-N 3.19Å; N227-I229 WeakPolarHBondContact OD1-CB 3.33Å; N227-I229 WeakPolarHBondContact OD1-CG1 3.47Å; N227-I229 PolarHBondContact OD1-N 3.23Å; I229-L231 PolarHBondContact O-N 2.86Å; I229-N325 WeakPolarHBondContact CD1-OD1 3.39Å |
| 230 | S | 38.9 | Very low | 39.6 | Very low | 90 Ų | 90 | 113.7 Ų | 113.7 | 63% | 0.629 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.9 | 39.5 | -177.9 | 69.1 | 0 | 0 | 0 | 0 | 114.8 | F228 | F228-S230 VanDerWaalsContact C-N 3.35Å; F228-S230 PolarHBondContact O-N 2.94Å |
| 231 | L | 31.3 | Very low | 37.7 | Very low | 125 Ų | 125 | 118.1 Ų | 118.1 | 65% | 0.654 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.3 | -0.5 | 179.6 | -89.6 | 165.4 | 0 | 0 | 0 | 114 | I229 | I229-L231 PolarHBondContact O-N 2.86Š|
| 232 | K | 27.1 | Very low | 36.2 | Very low | 142 Ų | 142 | 122.1 Ų | 122.1 | 62% | 0.617 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -137.4 | 58.7 | -178.9 | -77.6 | -173.3 | 174 | 177.1 | 0 | 114.3 | ||
| 233 | T | 26.4 | Very low | 34.9 | Very low | 130 Ų | 130 | 123.8 Ų | 123.8 | 80% | 0.798 | 68% | 0.676 | S | S | * | * | trans | -154.7 | 154.1 | 162.3 | 29.9 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 234 | E | 26.8 | Very low | 34.3 | Very low | 189 Ų | 189 | 123.6 Ų | 123.6 | 88% | 0.883 | 67% | 0.674 | S | S | * | * | trans | 65.6 | 69.5 | 166.8 | -63.5 | -170.5 | 172.9 | 0 | 0 | 118.5 | N236 | E234-N236 PolarHBondContact O-N 3.48Š| ||
| 235 | T | 26.1 | Very low | 34.4 | Very low | 133 Ų | 133 | 123.8 Ų | 123.8 | 82% | 0.816 | 67% | 0.673 | S | S | * | * | trans | -70.6 | 101 | 147.2 | 49.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 236 | N | 26.7 | Very low | 35.2 | Very low | 152 Ų | 152 | 117.5 Ų | 117.5 | 81% | 0.813 | 65% | 0.646 | S | S | * | * | trans | 176.5 | 157.6 | 138.2 | -92.7 | -36.8 | 0 | 0 | 0 | 113.7 | E234 | E234-N236 PolarHBondContact O-N 3.48Š| ||
| 237 | T | 26.1 | Very low | 36 | Very low | 125 Ų | 125 | 115.8 Ų | 115.8 | 77% | 0.767 | 64% | 0.642 | S | S | * | * | S | Bend | trans | 67.7 | 75.3 | 171 | 59.7 | 0 | 0 | 0 | 0 | 119.5 | ||
| 238 | T | 27.7 | Very low | 37 | Very low | 131 Ų | 131 | 111.4 Ų | 111.4 | 80% | 0.804 | 62% | 0.619 | S | S | * | * | 50.3 | 80.7 | 129.3 | 59.5 | 0 | 0 | 0 | 0 | 120.8 | |||||
| 239 | Y | 27.8 | Very low | 38.4 | Very low | 235 Ų | 235 | 110.2 Ų | 110.2 | 92% | 0.922 | 61% | 0.612 | S | S | * | * | trans | -148.8 | 147.4 | 133 | -95.4 | -76.1 | 0 | 0 | 0 | 108.9 | ||||
| 240 | P | 28.7 | Very low | 40 | Very low | 106 Ų | 106 | 105.9 Ų | 105.9 | 69% | 0.688 | 59% | 0.59 | S | S | * | * | trans | -89 | 132.8 | -163.3 | 32.8 | -33.6 | 0 | 0 | 0 | 115.4 | ||||
| 241 | S | 29.4 | Very low | 41.5 | Very low | 104 Ų | 104 | 102.3 Ų | 102.3 | 73% | 0.727 | 56% | 0.563 | S | S | * | * | trans | 51.8 | 65.9 | 143.6 | 67.8 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 242 | V | 34.2 | Very low | 43.5 | Very low | 95 Ų | 95 | 98 Ų | 98 | 58% | 0.576 | 54% | 0.543 | S | S | * | . | trans | -135.2 | 61.9 | 146 | -168.4 | 0 | 0 | 0 | 0 | 109.3 | S244 F246 | V242-S244 PolarHBondContact O-N 3Å; V242-F246 HydrophobicContact CG1-CE2 4.25Å; V242-F246 HydrophobicContact CG1-CZ 4.49Å | ||
| 243 | S | 33.7 | Very low | 46 | Very low | 122 Ų | 122 | 91.6 Ų | 91.6 | 85% | 0.853 | 52% | 0.515 | S | S | * | . | trans | -99.6 | 64 | -177.5 | 57.3 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 244 | S | 45.5 | Very low | 48.4 | Very low | 77 Ų | 77 | 85.4 Ų | 85.4 | 54% | 0.538 | 48% | 0.477 | S | S | . | . | S | Bend | trans | -142.2 | 151.1 | 167.1 | 61.7 | 0 | 0 | 0 | 0 | 109.3 | V242 F246 | V242-S244 PolarHBondContact O-N 3Å; S244-F246 PolarHBondContact O-N 3.5Å |
| 245 | N | 54.2 | Low | 50.7 | Low | 53 Ų | 53 | 77.6 Ų | 77.6 | 28% | 0.283 | 44% | 0.442 | S | S | . | . | trans | -50.4 | 113.1 | -169.2 | -101.9 | -31.5 | 0 | 0 | 0 | 112 | T247 V248 Y249 | N245-T247 PolarHBondContact O-N 2.94Å; N245-T247 VanDerWaalsContact O-N 3.14Å; N245-V248 HydrophobicContact CB-CB 4.02Å; N245-V248 HydrophobicContact CB-CG2 3.72Å; N245-V248 WeakPolarHBondContact O-CA 3.41Å; N245-V248 WeakPolarHBondContact O-CB 3.18Å; N245-V248 PolarHBondContact O-N 3.35Å; N245-Y249 PolarHBondContact O-N 2.69Å | ||
| 246 | F | 60.1 | Low | 53.1 | Low | 57 Ų | 57 | 77.2 Ų | 77.2 | 25% | 0.25 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -58.1 | -33.9 | -174.3 | -114.7 | -85.7 | 0 | 0 | 0 | 112.2 | A183 V242 S244 Y249 I250 | A183-F246 HydrophobicContact CB-CD1 3.65Å; A183-F246 HydrophobicContact CB-CE1 3.86Å; A183-F246 HydrophobicContact CB-CG 4.39Å; V242-F246 HydrophobicContact CG1-CE2 4.25Å; V242-F246 HydrophobicContact CG1-CZ 4.49Å; S244-F246 PolarHBondContact O-N 3.5Å; F246-Y249 PolarHBondContact O-N 3.12Å; F246-I250 WeakPolarHBondContact O-CB 3.48Å; F246-I250 WeakPolarHBondContact O-CG1 3.33Å; F246-I250 PolarHBondContact O-N 3.38Å |
| 247 | T | 64 | Low | 55.5 | Low | 39 Ų | 39 | 70 Ų | 70 | 24% | 0.239 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -59.6 | -46.5 | 172.2 | -27.3 | 0 | 0 | 0 | 0 | 111.8 | L221 N245 I250 Y251 | L221-T247 HydrophobicContact CD2-CG2 3.97Å; N245-T247 PolarHBondContact O-N 2.94Å; N245-T247 VanDerWaalsContact O-N 3.14Å; T247-I250 PolarHBondContact O-N 2.93Å; T247-Y251 HydrophobicContact CG2-CD2 4.19Å; T247-Y251 HydrophobicContact CG2-CE2 3.72Å; T247-Y251 WeakPolarHBondContact O-CD2 3.49Å; T247-Y251 PolarHBondContact O-N 3.42Å |
| 248 | V | 64.1 | Low | 57.7 | Low | 21 Ų | 21 | 64 Ų | 64 | 13% | 0.127 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -68.4 | -37 | 178.1 | -180 | 0 | 0 | 0 | 0 | 110.9 | F226 N245 Y251 S252 C296 | F226-V248 HydrophobicContact CE1-CG2 4.44Å; N245-V248 HydrophobicContact CB-CB 4.02Å; N245-V248 HydrophobicContact CB-CG2 3.72Å; N245-V248 WeakPolarHBondContact O-CA 3.41Å; N245-V248 WeakPolarHBondContact O-CB 3.18Å; N245-V248 PolarHBondContact O-N 3.35Å; V248-Y251 PolarHBondContact O-N 3.13Å; V248-S252 WeakPolarHBondContact O-CB 3.21Å; V248-S252 PolarHBondContact O-N 3.36Å; V248-C296 HydrophobicContact CB-CB 4.49Å; V248-C296 HydrophobicContact CG1-CB 3.91Å; V248-C296 HydrophobicContact CG2-CB 3.67Å |
| 249 | Y | 69.5 | Low | 59.9 | Low | 82 Ų | 82 | 60 Ų | 60 | 32% | 0.322 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -63.1 | -44.9 | 173.1 | -175 | -116.7 | 0 | 0 | 0 | 111.7 | A187 N245 F246 S252 L253 | A187-Y249 HydrophobicContact CB-CD1 4.31Å; A187-Y249 HydrophobicContact CB-CE1 3.97Å; N245-Y249 PolarHBondContact O-N 2.69Å; F246-Y249 PolarHBondContact O-N 3.12Å; Y249-S252 PolarHBondContact O-N 3.42Å; Y249-S252 PolarHBondContact O-OG 3.16Å; Y249-L253 HydrophobicContact CD1-CD1 4.11Å; Y249-L253 HydrophobicContact CE1-CD1 3.75Å; Y249-L253 PolarHBondContact O-N 3.17Å |
| 250 | I | 71.2 | Confident | 62.1 | Low | 15 Ų | 15 | 48.9 Ų | 48.9 | 8% | 0.077 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -62.3 | -47.4 | 174.5 | -71.9 | 167.8 | 0 | 0 | 0 | 110.9 | L186 L190 L217 L221 F246 T247 S252 L253 I254 | L186-I250 HydrophobicContact CD2-CD1 4.4Å; L190-I250 HydrophobicContact CD1-CG2 4.12Å; L217-I250 HydrophobicContact CD2-CG2 4.3Å; L221-I250 HydrophobicContact CD1-CG2 3.8Å; F246-I250 WeakPolarHBondContact O-CB 3.48Å; F246-I250 WeakPolarHBondContact O-CG1 3.33Å; F246-I250 PolarHBondContact O-N 3.38Å; T247-I250 PolarHBondContact O-N 2.93Å; I250-S252 VanDerWaalsContact C-N 3.27Å; I250-S252 PolarHBondContact O-N 3.06Å; I250-L253 WeakPolarHBondContact O-CB 3.09Å; I250-L253 PolarHBondContact O-N 3.27Å; I250-I254 HydrophobicContact CG2-CD1 3.94Å; I250-I254 HydrophobicContact CG2-CG1 4.42Å; I250-I254 WeakPolarHBondContact O-CG1 3.49Å; I250-I254 PolarHBondContact O-N 2.85Å |
| 251 | Y | 71.1 | Confident | 64 | Low | 15 Ų | 15 | 43.9 Ų | 43.9 | 6% | 0.059 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -55.7 | -41 | 173.3 | -74.2 | -56.4 | 0 | 0 | 0 | 111.9 | L218 L221 F226 T247 V248 L253 I254 L255 L289 V292 | L218-Y251 HydrophobicContact CD2-CD1 3.79Å; L218-Y251 HydrophobicContact CD2-CE1 3.75Å; L221-Y251 HydrophobicContact CB-CE1 3.88Å; L221-Y251 VanDerWaalsContact CB-OH 3.31Å; L221-Y251 WeakPolarHBondContact CB-OH 3.14Å; L221-Y251 HydrophobicContact CD1-CD1 4.22Å; L221-Y251 HydrophobicContact CD1-CE1 3.95Å; L221-Y251 PolarHBondContact O-OH 3.23Å; F226-Y251 HydrophobicContact CE1-CE2 4.33Å; F226-Y251 HydrophobicContact CE2-CE2 4.1Å; F226-Y251 HydrophobicContact CZ-CD2 4.24Å; F226-Y251 AromaticContact CZ-CE2 3.51Å; F226-Y251 HydrophobicContact CZ-CE2 3.51Å; T247-Y251 HydrophobicContact CG2-CD2 4.19Å; T247-Y251 HydrophobicContact CG2-CE2 3.72Å; T247-Y251 WeakPolarHBondContact O-CD2 3.49Å; T247-Y251 PolarHBondContact O-N 3.42Å; V248-Y251 PolarHBondContact O-N 3.13Å; Y251-L253 VanDerWaalsContact C-N 3.32Å; Y251-L253 PolarHBondContact O-N 3.49Å; Y251-I254 HydrophobicContact CD1-CD1 4.47Å; Y251-I254 PolarHBondContact O-N 2.93Å; Y251-L255 PolarHBondContact O-N 2.81Å; Y251-L289 HydrophobicContact CD1-CD2 3.55Å; Y251-L289 HydrophobicContact CE1-CD2 4.49Å; Y251-L289 HydrophobicContact CG-CD2 4.11Å; Y251-L289 WeakPolarHBondContact O-CD2 3.38Å; Y251-V292 HydrophobicContact CD2-CG1 4.27Å; Y251-V292 HydrophobicContact CE2-CG1 4.35Å |
| 252 | S | 73.7 | Confident | 65.9 | Low | 34 Ų | 34 | 41 Ų | 41 | 24% | 0.238 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -65.8 | -30.4 | 176.3 | 84.4 | 0 | 0 | 0 | 0 | 113.9 | V248 Y249 I250 K256 | V248-S252 WeakPolarHBondContact O-CB 3.21Å; V248-S252 PolarHBondContact O-N 3.36Å; Y249-S252 PolarHBondContact O-N 3.42Å; Y249-S252 PolarHBondContact O-OG 3.16Å; I250-S252 VanDerWaalsContact C-N 3.27Å; I250-S252 PolarHBondContact O-N 3.06Å; S252-K256 WeakPolarHBondContact O-CB 3.45Å; S252-K256 WeakPolarHBondContact O-CG 3.2Å; S252-K256 PolarHBondContact O-N 3.4Å; S252-K256 VanDerWaalsContact O-N 3.16Å |
| 253 | L | 78.8 | Confident | 67.4 | Low | 8 Ų | 8 | 41.3 Ų | 41.3 | 4% | 0.042 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -75.6 | -37.3 | 174 | -71.8 | 170.8 | 0 | 0 | 0 | 111.6 | A187 L190 I194 Y249 I250 Y251 K256 L257 | A187-L253 HydrophobicContact CB-CD1 3.78Å; L190-L253 HydrophobicContact CB-CB 4.27Å; L190-L253 HydrophobicContact CB-CD1 4.42Å; L190-L253 HydrophobicContact CD1-CB 4.2Å; I194-L253 HydrophobicContact CD1-CD2 3.97Å; Y249-L253 HydrophobicContact CD1-CD1 4.11Å; Y249-L253 HydrophobicContact CE1-CD1 3.75Å; Y249-L253 PolarHBondContact O-N 3.17Å; I250-L253 WeakPolarHBondContact O-CB 3.09Å; I250-L253 PolarHBondContact O-N 3.27Å; Y251-L253 VanDerWaalsContact C-N 3.32Å; Y251-L253 PolarHBondContact O-N 3.49Å; L253-K256 PolarHBondContact O-N 2.84Å; L253-L257 PolarHBondContact O-N 3.21Å |
| 254 | I | 76 | Confident | 68.8 | Low | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -65 | -45.2 | 174.1 | -58.8 | 163.5 | 0 | 0 | 0 | 110.1 | L190 C214 L217 L218 L221 I250 Y251 K256 L257 L258 L289 | L190-I254 HydrophobicContact CD1-CG1 4.33Å; L190-I254 HydrophobicContact CD2-CG1 4.45Å; C214-I254 HydrophobicContact CB-CG2 4.28Å; L217-I254 HydrophobicContact CD2-CD1 3.78Å; L217-I254 HydrophobicContact CD2-CG1 4.17Å; L217-I254 HydrophobicContact CG-CD1 4.34Å; L218-I254 HydrophobicContact CD1-CG2 4.08Å; L218-I254 HydrophobicContact CD2-CD1 3.68Å; L218-I254 HydrophobicContact CD2-CG2 4.17Å; L218-I254 HydrophobicContact CG-CD1 4.21Å; L218-I254 HydrophobicContact CG-CG2 4.27Å; L221-I254 HydrophobicContact CD1-CD1 4Å; I250-I254 HydrophobicContact CG2-CD1 3.94Å; I250-I254 HydrophobicContact CG2-CG1 4.42Å; I250-I254 WeakPolarHBondContact O-CG1 3.49Å; I250-I254 PolarHBondContact O-N 2.85Å; Y251-I254 HydrophobicContact CD1-CD1 4.47Å; Y251-I254 PolarHBondContact O-N 2.93Å; I254-K256 VanDerWaalsContact C-N 3.3Å; I254-K256 PolarHBondContact O-N 2.84Å; I254-L257 WeakPolarHBondContact O-CB 3.42Å; I254-L257 PolarHBondContact O-N 3.31Å; I254-L258 HydrophobicContact CG2-CD1 4.06Å; I254-L258 HydrophobicContact CG2-CG 4.32Å; I254-L258 WeakPolarHBondContact O-CG 3.48Å; I254-L258 PolarHBondContact O-N 3.43Å; I254-L289 HydrophobicContact CB-CD1 4.36Å; I254-L289 HydrophobicContact CB-CD2 4.42Å; I254-L289 HydrophobicContact CG2-CD1 3.74Å |
| 255 | L | 76.6 | Confident | 69.1 | Low | 26 Ų | 26 | 35.7 Ų | 35.7 | 14% | 0.136 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -57.7 | -42.7 | 175.4 | -176.5 | 62.8 | 0 | 0 | 0 | 111.5 | Y251 L257 L258 T259 Y286 L289 E290 | Y251-L255 PolarHBondContact O-N 2.81Å; L255-L257 VanDerWaalsContact C-N 3.3Å; L255-L257 PolarHBondContact O-N 2.9Å; L255-L258 PolarHBondContact O-N 2.95Å; L255-T259 PolarHBondContact O-N 3.03Å; L255-T259 PolarHBondContact O-OG1 3.27Å; L255-Y286 HydrophobicContact CD1-CD2 3.86Å; L255-Y286 HydrophobicContact CD1-CE2 3.57Å; L255-L289 HydrophobicContact CD1-CB 4.12Å; L255-E290 HydrophobicContact CD1-CB 4.35Å; L255-E290 HydrophobicContact CD2-CB 4.41Å |
| 256 | K | 75.6 | Confident | 68.8 | Low | 124 Ų | 124 | 36.6 Ų | 36.6 | 54% | 0.539 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -67.9 | -22.1 | 174.1 | -76.6 | 176.8 | 178 | 178.8 | 0 | 114.8 | I194 S252 L253 I254 T259 V260 | I194-K256 HydrophobicContact CD1-CB 3.87Å; S252-K256 WeakPolarHBondContact O-CB 3.45Å; S252-K256 WeakPolarHBondContact O-CG 3.2Å; S252-K256 PolarHBondContact O-N 3.4Å; S252-K256 VanDerWaalsContact O-N 3.16Å; L253-K256 PolarHBondContact O-N 2.84Å; I254-K256 VanDerWaalsContact C-N 3.3Å; I254-K256 PolarHBondContact O-N 2.84Å; K256-T259 WeakPolarHBondContact CA-OG1 3.27Å; K256-T259 PolarHBondContact O-OG1 2.9Å; K256-T259 VanDerWaalsContact O-OG1 3.12Å; K256-V260 WeakPolarHBondContact O-CG2 3.29Å |
| 257 | L | 78.4 | Confident | 68.2 | Low | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -81.6 | -40.8 | 172.9 | -166.3 | 72.6 | 0 | 0 | 0 | 110.7 | L190 L193 I194 I210 L253 I254 L255 V260 L261 | L190-L257 HydrophobicContact CD2-CD2 4.31Å; L193-L257 HydrophobicContact CB-CD1 3.89Å; L193-L257 HydrophobicContact CB-CD2 4.43Å; I194-L257 HydrophobicContact CB-CD1 4.19Å; I194-L257 HydrophobicContact CG1-CB 4.02Å; I194-L257 HydrophobicContact CG1-CD1 3.57Å; I194-L257 HydrophobicContact CG1-CG 4.41Å; I210-L257 HydrophobicContact CG2-CD2 3.48Å; I210-L257 VanDerWaalsContact CG2-CD2 3.48Å; I210-L257 HydrophobicContact CG2-CG 4.11Å; L253-L257 PolarHBondContact O-N 3.21Å; I254-L257 WeakPolarHBondContact O-CB 3.42Å; I254-L257 PolarHBondContact O-N 3.31Å; L255-L257 VanDerWaalsContact C-N 3.3Å; L255-L257 PolarHBondContact O-N 2.9Å; L257-V260 PolarHBondContact O-N 2.88Å; L257-L261 HydrophobicContact CG-CD1 4.4Å; L257-L261 WeakPolarHBondContact O-CG 3.39Å; L257-L261 PolarHBondContact O-N 3.38Å |
| 258 | L | 72.3 | Confident | 67.1 | Low | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -68.9 | -34.4 | 178.8 | -67.9 | 175.9 | 0 | 0 | 0 | 112.9 | L211 C214 I254 L255 L261 S262 L285 L289 | L211-L258 HydrophobicContact CD2-CD2 3.75Å; C214-L258 HydrophobicContact CB-CD2 4.49Å; I254-L258 HydrophobicContact CG2-CD1 4.06Å; I254-L258 HydrophobicContact CG2-CG 4.32Å; I254-L258 WeakPolarHBondContact O-CG 3.48Å; I254-L258 PolarHBondContact O-N 3.43Å; L255-L258 PolarHBondContact O-N 2.95Å; L258-L261 HydrophobicContact CD2-CD1 4.13Å; L258-L261 PolarHBondContact O-N 3.31Å; L258-S262 PolarHBondContact O-N 3.39Å; L258-S262 PolarHBondContact O-OG 2.89Å; L258-L285 HydrophobicContact CD1-CB 4.39Å; L258-L289 HydrophobicContact CD1-CD1 3.46Å; L258-L289 VanDerWaalsContact CD1-CD1 3.46Å |
| 259 | T | 73.5 | Confident | 65.9 | Low | 46 Ų | 46 | 45.8 Ų | 45.8 | 28% | 0.282 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -61.2 | -42.9 | 169.9 | 46.3 | 0 | 0 | 0 | 0 | 112.3 | L255 K256 L261 S262 T263 Y286 | L255-T259 PolarHBondContact O-N 3.03Å; L255-T259 PolarHBondContact O-OG1 3.27Å; K256-T259 WeakPolarHBondContact CA-OG1 3.27Å; K256-T259 PolarHBondContact O-OG1 2.9Å; K256-T259 VanDerWaalsContact O-OG1 3.12Å; T259-L261 VanDerWaalsContact C-N 3.34Å; T259-L261 PolarHBondContact O-N 2.87Å; T259-S262 PolarHBondContact O-N 2.86Å; T259-S262 PolarHBondContact O-OG 3.21Å; T259-T263 WeakPolarHBondContact O-CG2 3.43Å; T259-T263 PolarHBondContact O-N 2.79Å; T259-T263 PolarHBondContact O-OG1 3.38Å; T259-Y286 HydrophobicContact CG2-CE2 3.64Å |
| 260 | V | 73 | Confident | 64.2 | Low | 3 Ų | 3 | 50.7 Ų | 50.7 | 2% | 0.018 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -66.6 | -39.2 | 179.3 | 177.3 | 0 | 0 | 0 | 0 | 110.8 | S197 Y198 K256 L257 T263 H264 | S197-V260 WeakPolarHBondContact OG-CG1 3.38Å; Y198-V260 HydrophobicContact CD1-CG1 3.79Å; Y198-V260 HydrophobicContact CD1-CG2 4.28Å; Y198-V260 HydrophobicContact CE1-CB 4.42Å; Y198-V260 HydrophobicContact CE1-CG1 3.93Å; Y198-V260 HydrophobicContact CE1-CG2 3.58Å; Y198-V260 HydrophobicContact CE2-CG2 4.12Å; Y198-V260 HydrophobicContact CG-CG1 4.14Å; Y198-V260 VanDerWaalsContact CZ-CG2 3.48Å; K256-V260 WeakPolarHBondContact O-CG2 3.29Å; L257-V260 PolarHBondContact O-N 2.88Å; V260-T263 PolarHBondContact O-N 3.05Å; V260-T263 PolarHBondContact O-OG1 3.24Å; V260-H264 PolarHBondContact O-CD2 3.03Å; V260-H264 VanDerWaalsContact O-CD2 3.26Å; V260-H264 PolarHBondContact O-N 3.3Å |
| 261 | L | 69.7 | Low | 62.7 | Low | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -63.8 | -44.7 | 173.6 | -68.2 | 163.1 | 0 | 0 | 0 | 112.3 | I210 L211 L257 L258 T259 T263 H264 S265 L282 | I210-L261 HydrophobicContact CB-CD1 4.46Å; I210-L261 HydrophobicContact CD1-CD2 4.24Å; I210-L261 HydrophobicContact CG2-CD1 3.81Å; L211-L261 HydrophobicContact CD2-CD1 4.1Å; L211-L261 HydrophobicContact CG-CD1 4.32Å; L257-L261 HydrophobicContact CG-CD1 4.4Å; L257-L261 WeakPolarHBondContact O-CG 3.39Å; L257-L261 PolarHBondContact O-N 3.38Å; L258-L261 HydrophobicContact CD2-CD1 4.13Å; L258-L261 PolarHBondContact O-N 3.31Å; T259-L261 VanDerWaalsContact C-N 3.34Å; T259-L261 PolarHBondContact O-N 2.87Å; L261-T263 PolarHBondContact O-N 2.87Å; L261-H264 PolarHBondContact O-N 3.15Å; L261-H264 VanDerWaalsContact O-N 3.16Å; L261-S265 PolarHBondContact O-N 2.83Å; L261-L282 HydrophobicContact CB-CD1 4.37Å |
| 262 | S | 67.9 | Low | 61 | Low | 45 Ų | 45 | 65.4 Ų | 65.4 | 32% | 0.315 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -64.5 | -38.4 | 178.9 | 66.3 | 0 | 0 | 0 | 0 | 112.2 | L258 T259 H264 S265 | L258-S262 PolarHBondContact O-N 3.39Å; L258-S262 PolarHBondContact O-OG 2.89Å; T259-S262 PolarHBondContact O-N 2.86Å; T259-S262 PolarHBondContact O-OG 3.21Å; S262-H264 PolarHBondContact O-N 3.4Å; S262-S265 PolarHBondContact O-N 2.91Å; S262-S265 PolarHBondContact O-OG 3.39Å |
| 263 | T | 66.7 | Low | 59 | Low | 101 Ų | 101 | 68.6 Ų | 68.6 | 62% | 0.62 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -62.4 | -23.5 | 174.6 | 56.5 | 0 | 0 | 0 | 0 | 114.6 | T259 V260 L261 | T259-T263 WeakPolarHBondContact O-CG2 3.43Å; T259-T263 PolarHBondContact O-N 2.79Å; T259-T263 PolarHBondContact O-OG1 3.38Å; V260-T263 PolarHBondContact O-N 3.05Å; V260-T263 PolarHBondContact O-OG1 3.24Å; L261-T263 PolarHBondContact O-N 2.87Å |
| 264 | H | 62 | Low | 56.8 | Low | 37 Ų | 37 | 74.4 Ų | 74.4 | 17% | 0.171 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -94.2 | -14.4 | 177.5 | -71.1 | -48.1 | 0 | 0 | 0 | 114.4 | S197 F200 V260 L261 S262 G266 | S197-H264 PolarHBondContact O-CD2 3.25Å; S197-H264 PolarHBondContact O-NE2 3.36Å; F200-H264 HydrophobicContact CD2-CB 4.39Å; F200-H264 AromaticContact CD2-ND1 3.85Å; V260-H264 PolarHBondContact O-CD2 3.03Å; V260-H264 VanDerWaalsContact O-CD2 3.26Å; V260-H264 PolarHBondContact O-N 3.3Å; L261-H264 PolarHBondContact O-N 3.15Å; L261-H264 VanDerWaalsContact O-N 3.16Å; S262-H264 PolarHBondContact O-N 3.4Å; H264-G266 PolarHBondContact O-N 2.84Å |
| 265 | S | 51.9 | Low | 54.7 | Low | 44 Ų | 44 | 76.9 Ų | 76.9 | 31% | 0.308 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -67.3 | -18.9 | 178.7 | 66.2 | 0 | 0 | 0 | 0 | 114.5 | L261 S262 T267 | L261-S265 PolarHBondContact O-N 2.83Å; S262-S265 PolarHBondContact O-N 2.91Å; S262-S265 PolarHBondContact O-OG 3.39Å; S265-T267 VanDerWaalsContact C-N 3.33Å; S265-T267 PolarHBondContact O-N 3.32Å |
| 266 | G | 48.9 | Very low | 53.2 | Low | 72 Ų | 72 | 81 Ų | 81 | 74% | 0.742 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.9 | -1.7 | -176.6 | 0 | 0 | 0 | 0 | 0 | 116.8 | H264 | H264-G266 PolarHBondContact O-N 2.84Š|
| 267 | T | 46.8 | Very low | 51.9 | Low | 97 Ų | 97 | 78 Ų | 78 | 60% | 0.595 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -126 | 12.5 | -176 | 56.2 | 0 | 0 | 0 | 0 | 114.3 | F200 S265 | F200-T267 VanDerWaalsContact CE2-OG1 3.3Å; F200-T267 WeakPolarHBondContact CE2-OG1 3.28Å; S265-T267 VanDerWaalsContact C-N 3.33Å; S265-T267 PolarHBondContact O-N 3.32Å |
| 268 | I | 42.2 | Very low | 50.2 | Low | 66 Ų | 66 | 79.9 Ų | 79.9 | 34% | 0.338 | 48% | 0.478 | S | S | . | . | S | Bend | trans | -96.9 | 106.7 | 179.1 | -57.3 | 176.6 | 0 | 0 | 0 | 108.9 | E270 | I268-E270 PolarHBondContact O-N 3.43Š|
| 269 | N | 38.2 | Very low | 49.2 | Very low | 147 Ų | 147 | 84.4 Ų | 84.4 | 79% | 0.786 | 50% | 0.502 | S | S | * | . | trans | -54.1 | 134.1 | -180 | -78.8 | -18 | 0 | 0 | 0 | 112.2 | N271 | N269-N271 PolarHBondContact O-N 3.35Š| ||
| 270 | E | 34.4 | Very low | 48.2 | Very low | 185 Ų | 185 | 89.2 Ų | 89.2 | 86% | 0.864 | 52% | 0.519 | S | S | * | . | G | 310 helix | trans | -66.1 | -14.1 | -162.3 | -59.2 | -179.3 | 116.3 | 0 | 0 | 115.3 | I268 Q272 | I268-E270 PolarHBondContact O-N 3.43Å; E270-Q272 PolarHBondContact O-N 2.94Å |
| 271 | N | 39.5 | Very low | 47.3 | Very low | 158 Ų | 158 | 90.5 Ų | 90.5 | 85% | 0.845 | 53% | 0.527 | S | S | * | . | G | 310 helix | trans | -87.1 | 9.4 | -166.1 | -71.8 | -22.9 | 0 | 0 | 0 | 116.5 | N269 | N269-N271 PolarHBondContact O-N 3.35Š|
| 272 | Q | 35.7 | Very low | 46.6 | Very low | 180 Ų | 180 | 91.1 Ų | 91.1 | 84% | 0.841 | 53% | 0.53 | S | S | * | . | G | 310 helix | trans | -135.6 | 15.8 | -177.3 | -70.2 | -165.9 | -13.2 | 0 | 0 | 116.8 | E270 | E270-Q272 PolarHBondContact O-N 2.94Š|
| 273 | C | 31.8 | Very low | 46.2 | Very low | 102 Ų | 102 | 97.3 Ų | 97.3 | 69% | 0.689 | 55% | 0.552 | S | S | * | * | trans | -125.8 | 100.1 | 177.9 | -90.5 | 0 | 0 | 0 | 0 | 113.9 | S275 | C273-S275 PolarHBondContact O-N 3.07Š| ||
| 274 | P | 30.9 | Very low | 45.8 | Very low | 130 Ų | 130 | 98.5 Ų | 98.5 | 84% | 0.844 | 55% | 0.552 | S | S | * | * | trans | -81.7 | 77.7 | 178.2 | 33.2 | -34.8 | 0 | 0 | 0 | 112.2 | ||||
| 275 | S | 33.7 | Very low | 45.6 | Very low | 52 Ų | 52 | 98 Ų | 98 | 36% | 0.364 | 55% | 0.55 | S | S | . | * | trans | 179.2 | 121.6 | 146.6 | 29.6 | 0 | 0 | 0 | 0 | 113.2 | C273 S277 | C273-S275 PolarHBondContact O-N 3.07Å; S275-S277 PolarHBondContact O-N 3.16Å | ||
| 276 | S | 44.2 | Very low | 46.2 | Very low | 113 Ų | 113 | 99.1 Ų | 99.1 | 79% | 0.79 | 55% | 0.548 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.9 | 8.8 | 175.3 | 52.5 | 0 | 0 | 0 | 0 | 114.9 | ||
| 277 | S | 48.3 | Very low | 46.7 | Very low | 59 Ų | 59 | 96.8 Ų | 96.8 | 41% | 0.413 | 52% | 0.52 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | -32 | -178.5 | 60.3 | 0 | 0 | 0 | 0 | 113.8 | S275 K280 V281 | S275-S277 PolarHBondContact O-N 3.16Å; S277-K280 PolarHBondContact O-N 3.32Å; S277-V281 PolarHBondContact O-N 3.11Å; S277-V281 VanDerWaalsContact O-N 3.08Å |
| 278 | L | 42.2 | Very low | 47.3 | Very low | 40 Ų | 40 | 95.5 Ų | 95.5 | 21% | 0.209 | 51% | 0.507 | C | S | . | . | H | α-helix | trans | -68.8 | -44.4 | -170.2 | -92.7 | 155.8 | 0 | 0 | 0 | 113.1 | L211 K280 V281 L282 | L211-L278 HydrophobicContact CB-CD2 4.13Å; L211-L278 HydrophobicContact CD1-CD2 3.75Å; L278-K280 VanDerWaalsContact C-N 3.28Å; L278-K280 PolarHBondContact O-N 3.03Å; L278-V281 PolarHBondContact O-N 3.23Å; L278-L282 PolarHBondContact O-N 2.96Å; L278-L282 VanDerWaalsContact O-N 3.15Å |
| 279 | N | 52.6 | Low | 48.3 | Very low | 96 Ų | 96 | 92.6 Ų | 92.6 | 51% | 0.513 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -67.2 | -28.7 | 175.5 | -72.9 | 5.4 | 0 | 0 | 0 | 112.2 | L282 F283 | N279-L282 PolarHBondContact O-N 2.91Å; N279-F283 WeakPolarHBondContact O-CB 3.3Å; N279-F283 PolarHBondContact O-N 2.97Å |
| 280 | K | 52.7 | Low | 49.5 | Very low | 146 Ų | 146 | 89.3 Ų | 89.3 | 64% | 0.635 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -67 | -41.8 | 172.7 | -72.9 | -171.3 | 174.5 | -171.8 | 0 | 112.2 | S277 L278 L282 F283 M284 | S277-K280 PolarHBondContact O-N 3.32Å; L278-K280 VanDerWaalsContact C-N 3.28Å; L278-K280 PolarHBondContact O-N 3.03Å; K280-L282 VanDerWaalsContact C-N 3.31Å; K280-L282 PolarHBondContact O-N 3.29Å; K280-F283 PolarHBondContact O-N 2.91Å; K280-M284 WeakPolarHBondContact O-CG 3.32Å; K280-M284 PolarHBondContact O-N 2.87Å |
| 281 | V | 52.3 | Low | 50.9 | Low | 31 Ų | 31 | 80.9 Ų | 80.9 | 19% | 0.188 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -60.9 | -41.8 | 174.9 | 170.5 | 0 | 0 | 0 | 0 | 110.9 | S277 L278 M284 L285 | S277-V281 PolarHBondContact O-N 3.11Å; S277-V281 VanDerWaalsContact O-N 3.08Å; L278-V281 PolarHBondContact O-N 3.23Å; V281-M284 PolarHBondContact O-N 3.36Å; V281-L285 HydrophobicContact CG1-CD1 3.56Å; V281-L285 HydrophobicContact CG1-CG 4.23Å; V281-L285 WeakPolarHBondContact O-CB 3.47Å; V281-L285 WeakPolarHBondContact O-CG 3.46Å; V281-L285 PolarHBondContact O-N 2.87Å |
| 282 | L | 54.9 | Low | 51.8 | Low | 13 Ų | 13 | 74.2 Ų | 74.2 | 7% | 0.068 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -64.8 | -41.3 | 176.6 | -140.4 | 165.3 | 0 | 0 | 0 | 111.6 | L211 L261 L278 N279 K280 Y286 | L211-L282 HydrophobicContact CD1-CD1 4.28Å; L211-L282 HydrophobicContact CD2-CD1 3.97Å; L211-L282 HydrophobicContact CD2-CG 4.01Å; L261-L282 HydrophobicContact CB-CD1 4.37Å; L278-L282 PolarHBondContact O-N 2.96Å; L278-L282 VanDerWaalsContact O-N 3.15Å; N279-L282 PolarHBondContact O-N 2.91Å; K280-L282 VanDerWaalsContact C-N 3.31Å; K280-L282 PolarHBondContact O-N 3.29Å; L282-Y286 WeakPolarHBondContact O-CB 3.33Å; L282-Y286 PolarHBondContact O-N 2.65Å |
| 283 | F | 59.5 | Low | 53.1 | Low | 174 Ų | 174 | 66.2 Ų | 66.2 | 76% | 0.763 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -66.9 | -31.9 | 175.8 | -113.1 | -84.9 | 0 | 0 | 0 | 114.5 | N279 K280 P287 | N279-F283 WeakPolarHBondContact O-CB 3.3Å; N279-F283 PolarHBondContact O-N 2.97Å; K280-F283 PolarHBondContact O-N 2.91Å; F283-P287 WeakPolarHBondContact O-CD 3.35Å |
| 284 | M | 58.4 | Low | 54.5 | Low | 126 Ų | 126 | 63.5 Ų | 63.5 | 62% | 0.621 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -81.3 | -48 | 178 | -67.2 | -163.7 | -47.9 | 0 | 0 | 112.3 | K280 V281 Y286 P287 E288 | K280-M284 WeakPolarHBondContact O-CG 3.32Å; K280-M284 PolarHBondContact O-N 2.87Å; V281-M284 PolarHBondContact O-N 3.36Å; M284-Y286 VanDerWaalsContact C-N 3.27Å; M284-Y286 PolarHBondContact O-N 3.28Å; M284-P287 VanDerWaalsContact O-CD 3.26Å; M284-P287 WeakPolarHBondContact O-CD 3.49Å; M284-P287 WeakPolarHBondContact O-CG 3.47Å; M284-E288 WeakPolarHBondContact O-CG 3.4Å |
| 285 | L | 58.3 | Low | 55.8 | Low | 26 Ų | 26 | 58.3 Ų | 58.3 | 14% | 0.136 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -67.4 | -26.7 | -174.2 | -66.7 | 173.3 | 0 | 0 | 0 | 113.4 | Q215 L218 L258 V281 L289 | Q215-L285 HydrophobicContact CB-CD1 4.37Å; L218-L285 HydrophobicContact CD1-CB 4.36Å; L218-L285 HydrophobicContact CD1-CD1 3.97Å; L218-L285 HydrophobicContact CD1-CD2 4.02Å; L218-L285 HydrophobicContact CD1-CG 4.35Å; L258-L285 HydrophobicContact CD1-CB 4.39Å; V281-L285 HydrophobicContact CG1-CD1 3.56Å; V281-L285 HydrophobicContact CG1-CG 4.23Å; V281-L285 WeakPolarHBondContact O-CB 3.47Å; V281-L285 WeakPolarHBondContact O-CG 3.46Å; V281-L285 PolarHBondContact O-N 2.87Å; L285-L289 WeakPolarHBondContact O-CB 3.42Å; L285-L289 PolarHBondContact O-N 3.39Å |
| 286 | Y | 64.8 | Low | 56.8 | Low | 68 Ų | 68 | 57.1 Ų | 57.1 | 27% | 0.267 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -61.7 | -58.9 | -178.2 | -174.4 | -85.7 | 0 | 0 | 0 | 113.6 | L255 T259 L282 M284 E288 L289 E290 | L255-Y286 HydrophobicContact CD1-CD2 3.86Å; L255-Y286 HydrophobicContact CD1-CE2 3.57Å; T259-Y286 HydrophobicContact CG2-CE2 3.64Å; L282-Y286 WeakPolarHBondContact O-CB 3.33Å; L282-Y286 PolarHBondContact O-N 2.65Å; M284-Y286 VanDerWaalsContact C-N 3.27Å; M284-Y286 PolarHBondContact O-N 3.28Å; Y286-E288 VanDerWaalsContact C-N 3.32Å; Y286-E288 PolarHBondContact O-N 2.92Å; Y286-L289 PolarHBondContact O-N 3.33Å; Y286-E290 VanDerWaalsContact CE1-OE2 3.28Å; Y286-E290 WeakPolarHBondContact CE1-OE2 3.43Å; Y286-E290 WeakPolarHBondContact O-CB 3.35Å; Y286-E290 PolarHBondContact O-N 2.74Å; Y286-E290 PolarHBondContact OH-OE1 2.9Å |
| 287 | P | 59.7 | Low | 57.3 | Low | 23 Ų | 23 | 54.9 Ų | 54.9 | 15% | 0.149 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -66 | -27.9 | 179.6 | 25.9 | -36.3 | 0 | 0 | 0 | 114 | F283 M284 C291 | F283-P287 WeakPolarHBondContact O-CD 3.35Å; M284-P287 VanDerWaalsContact O-CD 3.26Å; M284-P287 WeakPolarHBondContact O-CD 3.49Å; M284-P287 WeakPolarHBondContact O-CG 3.47Å; P287-C291 WeakPolarHBondContact O-CB 3.47Å; P287-C291 PolarHBondContact O-N 2.91Å |
| 288 | E | 58.9 | Low | 57.6 | Low | 70 Ų | 70 | 54.1 Ų | 54.1 | 33% | 0.327 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -64.5 | -49.4 | 173.8 | -58.5 | -169.5 | 121.4 | 0 | 0 | 110.9 | M284 Y286 C291 V292 P365 | M284-E288 WeakPolarHBondContact O-CG 3.4Å; Y286-E288 VanDerWaalsContact C-N 3.32Å; Y286-E288 PolarHBondContact O-N 2.92Å; E288-C291 PolarHBondContact O-N 2.75Å; E288-V292 WeakPolarHBondContact O-CG2 3.47Å; E288-V292 PolarHBondContact O-N 3.32Å; E288-P365 HydrophobicContact CB-CB 4.16Å; E288-P365 HydrophobicContact CG-CB 4.02Å |
| 289 | L | 62.6 | Low | 57.9 | Low | 6 Ų | 6 | 55.7 Ų | 55.7 | 3% | 0.031 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -62.3 | -44.9 | 176.8 | -95.7 | 163.5 | 0 | 0 | 0 | 113.2 | L218 Y251 I254 L255 L258 L285 Y286 V292 T293 | L218-L289 HydrophobicContact CD1-CD1 3.88Å; L218-L289 HydrophobicContact CD2-CD1 4Å; L218-L289 HydrophobicContact CD2-CD2 3.84Å; L218-L289 HydrophobicContact CD2-CG 3.99Å; Y251-L289 HydrophobicContact CD1-CD2 3.55Å; Y251-L289 HydrophobicContact CE1-CD2 4.49Å; Y251-L289 HydrophobicContact CG-CD2 4.11Å; Y251-L289 WeakPolarHBondContact O-CD2 3.38Å; I254-L289 HydrophobicContact CB-CD1 4.36Å; I254-L289 HydrophobicContact CB-CD2 4.42Å; I254-L289 HydrophobicContact CG2-CD1 3.74Å; L255-L289 HydrophobicContact CD1-CB 4.12Å; L258-L289 HydrophobicContact CD1-CD1 3.46Å; L258-L289 VanDerWaalsContact CD1-CD1 3.46Å; L285-L289 WeakPolarHBondContact O-CB 3.42Å; L285-L289 PolarHBondContact O-N 3.39Å; Y286-L289 PolarHBondContact O-N 3.33Å; L289-V292 PolarHBondContact O-N 3.29Å; L289-T293 WeakPolarHBondContact O-CB 3.36Å; L289-T293 WeakPolarHBondContact O-CG2 3.25Å; L289-T293 PolarHBondContact O-N 3.36Å; L289-T293 PolarHBondContact O-OG1 3.31Å |
| 290 | E | 64.9 | Low | 57.6 | Low | 77 Ų | 77 | 54.6 Ų | 54.6 | 36% | 0.36 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -63.9 | -45.5 | 178.7 | -170.7 | 167 | -127.5 | 0 | 0 | 110.3 | L255 Y286 V292 T293 V294 | L255-E290 HydrophobicContact CD1-CB 4.35Å; L255-E290 HydrophobicContact CD2-CB 4.41Å; Y286-E290 VanDerWaalsContact CE1-OE2 3.28Å; Y286-E290 WeakPolarHBondContact CE1-OE2 3.43Å; Y286-E290 WeakPolarHBondContact O-CB 3.35Å; Y286-E290 PolarHBondContact O-N 2.74Å; Y286-E290 PolarHBondContact OH-OE1 2.9Å; E290-V292 PolarHBondContact O-N 3.46Å; E290-T293 PolarHBondContact O-N 2.74Å; E290-T293 PolarHBondContact O-OG1 2.85Å; E290-V294 HydrophobicContact CG-CG2 4.27Å; E290-V294 WeakPolarHBondContact O-CB 3.36Å; E290-V294 WeakPolarHBondContact O-CG2 3.45Å; E290-V294 PolarHBondContact O-N 3.46Å |
| 291 | C | 62.5 | Low | 57.4 | Low | 9 Ų | 9 | 52.1 Ų | 52.1 | 6% | 0.061 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -57.5 | -51.9 | 174.2 | -175.9 | 0 | 0 | 0 | 0 | 112 | P287 E288 T293 V294 C295 P365 | P287-C291 WeakPolarHBondContact O-CB 3.47Å; P287-C291 PolarHBondContact O-N 2.91Å; E288-C291 PolarHBondContact O-N 2.75Å; C291-T293 PolarHBondContact O-N 2.85Å; C291-V294 PolarHBondContact O-N 2.85Å; C291-C295 WeakPolarHBondContact O-CB 3.3Å; C291-C295 PolarHBondContact O-N 2.9Å; C291-C295 PolarHBondContact O-SG 2.76Å; C291-P365 HydrophobicContact CB-CG 3.85Å |
| 292 | V | 59.3 | Low | 57.1 | Low | 17 Ų | 17 | 56.8 Ų | 56.8 | 10% | 0.103 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -60.6 | -45.4 | -179 | 169.8 | 0 | 0 | 0 | 0 | 112 | F226 Y251 E288 L289 E290 C295 C296 C368 | F226-V292 HydrophobicContact CZ-CG1 3.9Å; Y251-V292 HydrophobicContact CD2-CG1 4.27Å; Y251-V292 HydrophobicContact CE2-CG1 4.35Å; E288-V292 WeakPolarHBondContact O-CG2 3.47Å; E288-V292 PolarHBondContact O-N 3.32Å; L289-V292 PolarHBondContact O-N 3.29Å; E290-V292 PolarHBondContact O-N 3.46Å; V292-C295 PolarHBondContact O-N 3.48Å; V292-C296 WeakPolarHBondContact O-CB 3.47Å; V292-C296 PolarHBondContact O-N 3.15Å; V292-C296 PolarHBondContact O-SG 3.22Å; V292-C368 HydrophobicContact CG2-CB 3.87Å; V292-C368 VanDerWaalsContact CG2-SG 3.54Å |
| 293 | T | 61.9 | Low | 56.3 | Low | 13 Ų | 13 | 63.9 Ų | 63.9 | 8% | 0.08 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -69.9 | -38.5 | -179.1 | 51.7 | 0 | 0 | 0 | 0 | 112.6 | L289 E290 C291 T297 | L289-T293 WeakPolarHBondContact O-CB 3.36Å; L289-T293 WeakPolarHBondContact O-CG2 3.25Å; L289-T293 PolarHBondContact O-N 3.36Å; L289-T293 PolarHBondContact O-OG1 3.31Å; E290-T293 PolarHBondContact O-N 2.74Å; E290-T293 PolarHBondContact O-OG1 2.85Å; C291-T293 PolarHBondContact O-N 2.85Å; T293-T297 WeakPolarHBondContact O-CB 3.49Å; T293-T297 WeakPolarHBondContact O-CG2 3.35Å; T293-T297 PolarHBondContact O-N 2.72Å; T293-T297 VanDerWaalsContact O-N 3.08Å; T293-T297 PolarHBondContact O-OG1 2.77Å |
| 294 | V | 61.4 | Low | 55.4 | Low | 45 Ų | 45 | 61.5 Ų | 61.5 | 27% | 0.273 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -66.5 | -38.7 | 174.7 | 171 | 0 | 0 | 0 | 0 | 111.6 | E290 C291 T297 Q298 | E290-V294 HydrophobicContact CG-CG2 4.27Å; E290-V294 WeakPolarHBondContact O-CB 3.36Å; E290-V294 WeakPolarHBondContact O-CG2 3.45Å; E290-V294 PolarHBondContact O-N 3.46Å; C291-V294 PolarHBondContact O-N 2.85Å; V294-T297 WeakPolarHBondContact CA-OG1 3.17Å; V294-T297 PolarHBondContact O-OG1 3.09Å; V294-T297 VanDerWaalsContact O-OG1 3.06Å; V294-Q298 WeakPolarHBondContact O-CB 3.42Å; V294-Q298 WeakPolarHBondContact O-CG 3.49Å; V294-Q298 PolarHBondContact O-N 3.47Å; V294-Q298 VanDerWaalsContact O-N 3.09Å |
| 295 | C | 58.4 | Low | 54.2 | Low | 20 Ų | 20 | 63.4 Ų | 63.4 | 14% | 0.135 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -71.2 | -44.9 | 177.5 | -64.3 | 0 | 0 | 0 | 0 | 112.3 | C291 V292 T297 Q298 M299 V342 | C291-C295 WeakPolarHBondContact O-CB 3.3Å; C291-C295 PolarHBondContact O-N 2.9Å; C291-C295 PolarHBondContact O-SG 2.76Å; V292-C295 PolarHBondContact O-N 3.48Å; C295-T297 VanDerWaalsContact C-N 3.33Å; C295-T297 PolarHBondContact O-N 2.82Å; C295-Q298 PolarHBondContact O-N 3.43Å; C295-M299 WeakPolarHBondContact O-CG 3.2Å; C295-M299 PolarHBondContact O-N 3.45Å; C295-V342 HydrophobicContact CB-CG2 4.28Å; C295-V342 WeakPolarHBondContact SG-CG1 3.32Å |
| 296 | C | 55.5 | Low | 52.7 | Low | 27 Ų | 27 | 70.8 Ų | 70.8 | 18% | 0.182 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -63.2 | -39.4 | 178.6 | -67.4 | 0 | 0 | 0 | 0 | 112.2 | V248 V292 T300 | V248-C296 HydrophobicContact CB-CB 4.49Å; V248-C296 HydrophobicContact CG1-CB 3.91Å; V248-C296 HydrophobicContact CG2-CB 3.67Å; V292-C296 WeakPolarHBondContact O-CB 3.47Å; V292-C296 PolarHBondContact O-N 3.15Å; V292-C296 PolarHBondContact O-SG 3.22Å; C296-T300 PolarHBondContact O-N 3.35Å; C296-T300 PolarHBondContact O-OG1 2.83Å |
| 297 | T | 54.9 | Low | 51 | Low | 66 Ų | 66 | 76.7 Ų | 76.7 | 41% | 0.405 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -68.7 | -36.2 | 175.9 | 48.9 | 0 | 0 | 0 | 0 | 112.2 | T293 V294 C295 T300 I301 | T293-T297 WeakPolarHBondContact O-CB 3.49Å; T293-T297 WeakPolarHBondContact O-CG2 3.35Å; T293-T297 PolarHBondContact O-N 2.72Å; T293-T297 VanDerWaalsContact O-N 3.08Å; T293-T297 PolarHBondContact O-OG1 2.77Å; V294-T297 WeakPolarHBondContact CA-OG1 3.17Å; V294-T297 PolarHBondContact O-OG1 3.09Å; V294-T297 VanDerWaalsContact O-OG1 3.06Å; C295-T297 VanDerWaalsContact C-N 3.33Å; C295-T297 PolarHBondContact O-N 2.82Å; T297-T300 WeakPolarHBondContact CA-OG1 3.12Å; T297-T300 PolarHBondContact O-N 2.9Å; T297-T300 PolarHBondContact O-OG1 3.33Å; T297-I301 WeakPolarHBondContact O-CD1 3.3Å; T297-I301 VanDerWaalsContact O-CG1 3.29Å; T297-I301 WeakPolarHBondContact O-CG1 3.48Å; T297-I301 PolarHBondContact O-N 2.98Å |
| 298 | Q | 54.1 | Low | 49.7 | Very low | 44 Ų | 44 | 81.9 Ų | 81.9 | 21% | 0.206 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -69.8 | -36.9 | 175.4 | -73.7 | 175.1 | 29.5 | 0 | 0 | 113.4 | V294 C295 T300 I301 I302 R345 | V294-Q298 WeakPolarHBondContact O-CB 3.42Å; V294-Q298 WeakPolarHBondContact O-CG 3.49Å; V294-Q298 PolarHBondContact O-N 3.47Å; V294-Q298 VanDerWaalsContact O-N 3.09Å; C295-Q298 PolarHBondContact O-N 3.43Å; Q298-T300 VanDerWaalsContact C-N 3.31Å; Q298-T300 PolarHBondContact O-N 3.47Å; Q298-I301 PolarHBondContact O-N 3.05Å; Q298-I302 WeakPolarHBondContact O-CG1 3.28Å; Q298-I302 PolarHBondContact O-N 3.36Å; Q298-R345 VanDerWaalsContact NE2-CZ 3.33Å |
| 299 | M | 48.2 | Very low | 48.3 | Very low | 73 Ų | 73 | 86.6 Ų | 86.6 | 36% | 0.36 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -57.2 | -44.4 | 171.4 | -73.9 | -72.1 | -75 | 0 | 0 | 111.3 | C295 I301 I302 Y303 L338 | C295-M299 WeakPolarHBondContact O-CG 3.2Å; C295-M299 PolarHBondContact O-N 3.45Å; M299-I301 VanDerWaalsContact C-N 3.35Å; M299-I301 PolarHBondContact O-N 3.29Å; M299-I302 PolarHBondContact O-N 3.01Å; M299-Y303 WeakPolarHBondContact O-CB 3.46Å; M299-Y303 PolarHBondContact O-N 3.25Å; M299-L338 HydrophobicContact CE-CD1 4.29Å; M299-L338 HydrophobicContact CE-CD2 4.44Å; M299-L338 HydrophobicContact SD-CD2 4.03Å |
| 300 | T | 46.7 | Very low | 47 | Very low | 73 Ų | 73 | 89.5 Ų | 89.5 | 45% | 0.448 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -69 | -26.8 | 173.5 | 42.2 | 0 | 0 | 0 | 0 | 114.2 | C296 T297 Q298 N304 | C296-T300 PolarHBondContact O-N 3.35Å; C296-T300 PolarHBondContact O-OG1 2.83Å; T297-T300 WeakPolarHBondContact CA-OG1 3.12Å; T297-T300 PolarHBondContact O-N 2.9Å; T297-T300 PolarHBondContact O-OG1 3.33Å; Q298-T300 VanDerWaalsContact C-N 3.31Å; Q298-T300 PolarHBondContact O-N 3.47Å; T300-N304 WeakPolarHBondContact O-CB 3.37Å; T300-N304 PolarHBondContact O-N 3.4Å; T300-N304 PolarHBondContact O-ND2 2.86Å |
| 301 | I | 47.7 | Very low | 45.5 | Very low | 94 Ų | 94 | 90.1 Ų | 90.1 | 48% | 0.482 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -74.8 | -35.6 | 174.7 | -70.6 | 162.3 | 0 | 0 | 0 | 111.3 | T297 Q298 M299 K305 | T297-I301 WeakPolarHBondContact O-CD1 3.3Å; T297-I301 VanDerWaalsContact O-CG1 3.29Å; T297-I301 WeakPolarHBondContact O-CG1 3.48Å; T297-I301 PolarHBondContact O-N 2.98Å; Q298-I301 PolarHBondContact O-N 3.05Å; M299-I301 VanDerWaalsContact C-N 3.35Å; M299-I301 PolarHBondContact O-N 3.29Å; I301-K305 HydrophobicContact CG2-CD 4.47Å; I301-K305 WeakPolarHBondContact O-CG 3.38Å; I301-K305 PolarHBondContact O-N 2.87Å |
| 302 | I | 46.3 | Very low | 44.3 | Very low | 128 Ų | 128 | 94 Ų | 94 | 66% | 0.656 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -67.1 | -42.1 | 173.5 | -68.2 | 165 | 0 | 0 | 0 | 110 | Q298 M299 N304 | Q298-I302 WeakPolarHBondContact O-CG1 3.28Å; Q298-I302 PolarHBondContact O-N 3.36Å; M299-I302 PolarHBondContact O-N 3.01Å; I302-N304 VanDerWaalsContact C-N 3.34Å; I302-N304 PolarHBondContact O-N 3.16Å |
| 303 | Y | 39.4 | Very low | 43.4 | Very low | 162 Ų | 162 | 100.9 Ų | 100.9 | 64% | 0.635 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -70.1 | -27.4 | 178.7 | -153.5 | -83.6 | 0 | 0 | 0 | 113.5 | M299 | M299-Y303 WeakPolarHBondContact O-CB 3.46Å; M299-Y303 PolarHBondContact O-N 3.25Å |
| 304 | N | 39.7 | Very low | 42.4 | Very low | 124 Ų | 124 | 105.2 Ų | 105.2 | 66% | 0.663 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.9 | 17.7 | -177.1 | -64.5 | -8.2 | 0 | 0 | 0 | 114 | T300 I302 | T300-N304 WeakPolarHBondContact O-CB 3.37Å; T300-N304 PolarHBondContact O-N 3.4Å; T300-N304 PolarHBondContact O-ND2 2.86Å; I302-N304 VanDerWaalsContact C-N 3.34Å; I302-N304 PolarHBondContact O-N 3.16Å |
| 305 | K | 33 | Very low | 41.4 | Very low | 166 Ų | 166 | 108 Ų | 108 | 72% | 0.722 | 58% | 0.576 | S | S | * | * | trans | -113 | 86.4 | 171.9 | -84.9 | -163.4 | 168.9 | -159.3 | 0 | 111.4 | I301 | I301-K305 HydrophobicContact CG2-CD 4.47Å; I301-K305 WeakPolarHBondContact O-CG 3.38Å; I301-K305 PolarHBondContact O-N 2.87Å | ||
| 306 | E | 28.2 | Very low | 40.4 | Very low | 181 Ų | 181 | 113.5 Ų | 113.5 | 85% | 0.846 | 60% | 0.6 | S | S | * | * | trans | -65.1 | 171.7 | 159.4 | -60.9 | 178.5 | 128.9 | 0 | 0 | 110.4 | ||||
| 307 | E | 28.7 | Very low | 39.8 | Very low | 192 Ų | 192 | 116.9 Ų | 116.9 | 90% | 0.897 | 62% | 0.616 | S | S | * | * | trans | 72 | 47.8 | 173.4 | -51.5 | -165.7 | 148 | 0 | 0 | 119.1 | ||||
| 308 | V | 30.8 | Very low | 39.2 | Very low | 133 Ų | 133 | 116.8 Ų | 116.8 | 81% | 0.806 | 61% | 0.61 | S | S | * | * | trans | -136.3 | 119 | 142.8 | -172.7 | 0 | 0 | 0 | 0 | 110.1 | G310 | V308-G310 PolarHBondContact O-N 3.32Š| ||
| 309 | N | 30.7 | Very low | 38.8 | Very low | 169 Ų | 169 | 118 Ų | 118 | 90% | 0.904 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.2 | 116.3 | -178.6 | -73.1 | -29.2 | 0 | 0 | 0 | 111.5 | ||
| 310 | G | 34.3 | Very low | 38.5 | Very low | 67 Ų | 67 | 121.5 Ų | 121.5 | 69% | 0.691 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 162.1 | -27.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | V308 | V308-G310 PolarHBondContact O-N 3.32Š|
| 311 | C | 33.7 | Very low | 38.3 | Very low | 89 Ų | 89 | 120.1 Ų | 120.1 | 60% | 0.601 | 63% | 0.625 | S | S | * | * | trans | -96.6 | 12.3 | -167.9 | -65.2 | 0 | 0 | 0 | 0 | 116.4 | Q313 I314 | C311-Q313 VanDerWaalsContact C-N 3.32Å; C311-Q313 PolarHBondContact O-N 2.91Å; C311-I314 PolarHBondContact O-N 3.18Å; C311-I314 VanDerWaalsContact O-N 3.16Å | ||
| 312 | C | 37.1 | Very low | 37.9 | Very low | 91 Ų | 91 | 121 Ų | 121 | 62% | 0.615 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -57.2 | -40.5 | -172.8 | -56.8 | 0 | 0 | 0 | 0 | 113.5 | I314 N315 E316 | C312-I314 PolarHBondContact O-N 3.1Å; C312-N315 PolarHBondContact O-N 2.97Å; C312-N315 VanDerWaalsContact O-N 3.12Å; C312-E316 PolarHBondContact O-N 3.1Å |
| 313 | Q | 40.5 | Very low | 37.8 | Very low | 161 Ų | 161 | 118.4 Ų | 118.4 | 75% | 0.752 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -64.7 | -22.1 | -178.2 | -70.5 | -179.9 | -30.4 | 0 | 0 | 114.3 | C311 | C311-Q313 VanDerWaalsContact C-N 3.32Å; C311-Q313 PolarHBondContact O-N 2.91Å |
| 314 | I | 41.4 | Very low | 37.9 | Very low | 104 Ų | 104 | 118.1 Ų | 118.1 | 53% | 0.533 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -83.2 | -33.3 | 176 | -62.8 | 177.8 | 0 | 0 | 0 | 110.6 | C311 C312 F318 | C311-I314 PolarHBondContact O-N 3.18Å; C311-I314 VanDerWaalsContact O-N 3.16Å; C312-I314 PolarHBondContact O-N 3.1Å; I314-F318 HydrophobicContact CG2-CD2 3.86Å; I314-F318 HydrophobicContact CG2-CE2 4.17Å; I314-F318 PolarHBondContact O-N 2.7Å |
| 315 | N | 39.7 | Very low | 38 | Very low | 105 Ų | 105 | 118.7 Ų | 118.7 | 56% | 0.561 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -71.6 | -39.4 | 179.4 | -100.8 | 1.1 | 0 | 0 | 0 | 112.7 | C312 F318 V319 | C312-N315 PolarHBondContact O-N 2.97Å; C312-N315 VanDerWaalsContact O-N 3.12Å; N315-F318 PolarHBondContact O-N 3.23Å; N315-V319 WeakPolarHBondContact O-CB 3.03Å; N315-V319 VanDerWaalsContact O-CG2 3.25Å; N315-V319 WeakPolarHBondContact O-CG2 3.48Å; N315-V319 PolarHBondContact O-N 3.29Å |
| 316 | E | 38.6 | Very low | 38.7 | Very low | 135 Ų | 135 | 114.6 Ų | 114.6 | 63% | 0.631 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -63.5 | -46.6 | 175.3 | -69.7 | 179.2 | 143.1 | 0 | 0 | 110.8 | C312 F318 V319 E320 | C312-E316 PolarHBondContact O-N 3.1Å; E316-F318 PolarHBondContact O-N 3.42Å; E316-V319 PolarHBondContact O-N 3.13Å; E316-V319 VanDerWaalsContact O-N 3.13Å; E316-E320 PolarHBondContact O-N 3.23Å |
| 317 | L | 42.3 | Very low | 39.6 | Very low | 98 Ų | 98 | 110.2 Ų | 110.2 | 51% | 0.513 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -54.6 | -48.8 | 172.4 | -94.2 | 164.2 | 0 | 0 | 0 | 112.8 | V319 I321 | L317-V319 VanDerWaalsContact C-N 3.33Å; L317-V319 PolarHBondContact O-N 3.29Å; L317-I321 HydrophobicContact CB-CD1 4.46Å; L317-I321 HydrophobicContact CD2-CD1 3.75Å; L317-I321 VanDerWaalsContact O-CB 3.3Å; L317-I321 WeakPolarHBondContact O-CB 3.2Å; L317-I321 VanDerWaalsContact O-CD1 3.31Å; L317-I321 WeakPolarHBondContact O-CD1 3.48Å; L317-I321 WeakPolarHBondContact O-CG1 3.48Å; L317-I321 PolarHBondContact O-N 3.22Å |
| 318 | F | 43.3 | Very low | 40.7 | Very low | 64 Ų | 64 | 104.5 Ų | 104.5 | 28% | 0.281 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -67.9 | -29.2 | 178.3 | -98.8 | -85.9 | 0 | 0 | 0 | 113.5 | I314 N315 E316 L322 I334 | I314-F318 HydrophobicContact CG2-CD2 3.86Å; I314-F318 HydrophobicContact CG2-CE2 4.17Å; I314-F318 PolarHBondContact O-N 2.7Å; N315-F318 PolarHBondContact O-N 3.23Å; E316-F318 PolarHBondContact O-N 3.42Å; F318-L322 HydrophobicContact CD1-CD1 4.19Å; F318-L322 VanDerWaalsContact O-CB 3.27Å; F318-L322 WeakPolarHBondContact O-CB 3.24Å; F318-L322 WeakPolarHBondContact O-CD1 3.4Å; F318-L322 VanDerWaalsContact O-CG 3.24Å; F318-L322 WeakPolarHBondContact O-CG 3.32Å; F318-L322 PolarHBondContact O-N 2.93Å; F318-I334 HydrophobicContact CE1-CD1 4.13Å; F318-I334 HydrophobicContact CE1-CG2 3.85Å; F318-I334 HydrophobicContact CZ-CD1 4.46Å; F318-I334 HydrophobicContact CZ-CG2 3.8Å |
| 319 | V | 45.5 | Very low | 41.6 | Very low | 70 Ų | 70 | 103.1 Ų | 103.1 | 42% | 0.424 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -78.9 | -36.6 | 179.8 | 167.6 | 0 | 0 | 0 | 0 | 112.1 | N315 E316 L317 | N315-V319 WeakPolarHBondContact O-CB 3.03Å; N315-V319 VanDerWaalsContact O-CG2 3.25Å; N315-V319 WeakPolarHBondContact O-CG2 3.48Å; N315-V319 PolarHBondContact O-N 3.29Å; E316-V319 PolarHBondContact O-N 3.13Å; E316-V319 VanDerWaalsContact O-N 3.13Å; L317-V319 VanDerWaalsContact C-N 3.33Å; L317-V319 PolarHBondContact O-N 3.29Å |
| 320 | E | 41.7 | Very low | 42.6 | Very low | 146 Ų | 146 | 98.5 Ų | 98.5 | 68% | 0.682 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -72.7 | -46.8 | 173.2 | -67.7 | -170.2 | 144.2 | 0 | 0 | 111.5 | E316 L322 A323 | E316-E320 PolarHBondContact O-N 3.23Å; E320-L322 VanDerWaalsContact C-N 3.26Å; E320-L322 PolarHBondContact O-N 3.07Å; E320-A323 WeakPolarHBondContact O-CB 3.4Å; E320-A323 PolarHBondContact O-N 2.96Å |
| 321 | I | 42 | Very low | 43.7 | Very low | 44 Ų | 44 | 99.1 Ų | 99.1 | 23% | 0.226 | 52% | 0.523 | C | S | . | . | H | α-helix | trans | -65.8 | -27.4 | -178.3 | -64.1 | 162.5 | 0 | 0 | 0 | 112.4 | L317 A323 Y329 I334 | L317-I321 HydrophobicContact CB-CD1 4.46Å; L317-I321 HydrophobicContact CD2-CD1 3.75Å; L317-I321 VanDerWaalsContact O-CB 3.3Å; L317-I321 WeakPolarHBondContact O-CB 3.2Å; L317-I321 VanDerWaalsContact O-CD1 3.31Å; L317-I321 WeakPolarHBondContact O-CD1 3.48Å; L317-I321 WeakPolarHBondContact O-CG1 3.48Å; L317-I321 PolarHBondContact O-N 3.22Å; I321-A323 VanDerWaalsContact C-N 3.34Å; I321-Y329 HydrophobicContact CD1-CD1 4.36Å; I321-Y329 HydrophobicContact CD1-CE1 3.7Å; I321-Y329 HydrophobicContact CG1-CE1 4.21Å; I321-Y329 HydrophobicContact CG2-CD1 3.74Å; I321-Y329 HydrophobicContact CG2-CE1 4.19Å; I321-I334 HydrophobicContact CB-CD1 4.42Å; I321-I334 HydrophobicContact CG2-CD1 3.66Å |
| 322 | L | 40.3 | Very low | 44.7 | Very low | 111 Ų | 111 | 101.1 Ų | 101.1 | 58% | 0.581 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.4 | 1.7 | 174.5 | -68.9 | 174.1 | 0 | 0 | 0 | 114.2 | F318 E320 | F318-L322 HydrophobicContact CD1-CD1 4.19Å; F318-L322 VanDerWaalsContact O-CB 3.27Å; F318-L322 WeakPolarHBondContact O-CB 3.24Å; F318-L322 WeakPolarHBondContact O-CD1 3.4Å; F318-L322 VanDerWaalsContact O-CG 3.24Å; F318-L322 WeakPolarHBondContact O-CG 3.32Å; F318-L322 PolarHBondContact O-N 2.93Å; E320-L322 VanDerWaalsContact C-N 3.26Å; E320-L322 PolarHBondContact O-N 3.07Å |
| 323 | A | 44 | Very low | 45.3 | Very low | 75 Ų | 75 | 101.2 Ų | 101.2 | 62% | 0.62 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.6 | -27.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | E320 I321 | E320-A323 WeakPolarHBondContact O-CB 3.4Å; E320-A323 PolarHBondContact O-N 2.96Å; I321-A323 VanDerWaalsContact C-N 3.34Å |
| 324 | E | 40.9 | Very low | 45.8 | Very low | 155 Ų | 155 | 94 Ų | 94 | 72% | 0.724 | 48% | 0.482 | S | S | * | . | S | Bend | trans | -95.4 | 134.1 | 174.5 | -60.5 | -166.3 | 152.5 | 0 | 0 | 110.7 | D326 | E324-D326 PolarHBondContact O-N 3.38Š|
| 325 | N | 41.5 | Very low | 46.7 | Very low | 136 Ų | 136 | 90 Ų | 90 | 73% | 0.727 | 46% | 0.46 | S | S | * | . | trans | -76.6 | 25.5 | -173.9 | -72.5 | -71 | 0 | 0 | 0 | 114.1 | I229 T327 | I229-N325 WeakPolarHBondContact CD1-OD1 3.39Å; N325-T327 PolarHBondContact O-N 2.97Å; N325-T327 VanDerWaalsContact O-N 3.13Å | ||
| 326 | D | 48 | Very low | 47.4 | Very low | 81 Ų | 81 | 86.7 Ų | 86.7 | 43% | 0.433 | 44% | 0.444 | S | S | . | . | trans | -83.9 | 92.4 | -171.4 | -165.7 | 67.4 | 0 | 0 | 0 | 113.1 | E324 T328 Y329 | E324-D326 PolarHBondContact O-N 3.38Å; D326-T328 PolarHBondContact O-N 2.91Å; D326-T328 VanDerWaalsContact O-N 3.13Å; D326-T328 PolarHBondContact OD1-OG1 2.86Å; D326-T328 WeakPolarHBondContact OD2-CA 3.38Å; D326-T328 WeakPolarHBondContact OD2-CB 3.26Å; D326-T328 PolarHBondContact OD2-N 2.93Å; D326-T328 PolarHBondContact OD2-OG1 3.24Å; D326-Y329 PolarHBondContact O-N 2.86Å; D326-Y329 PolarHBondContact OD2-N 3.41Å | ||
| 327 | T | 47.9 | Very low | 48.2 | Very low | 89 Ų | 89 | 85.6 Ų | 85.6 | 55% | 0.546 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -58.9 | -25.2 | 177.5 | 61.1 | 0 | 0 | 0 | 0 | 113.3 | N325 F330 H331 | N325-T327 PolarHBondContact O-N 2.97Å; N325-T327 VanDerWaalsContact O-N 3.13Å; T327-F330 PolarHBondContact O-N 3.49Å; T327-H331 PolarHBondContact O-CD2 2.98Å; T327-H331 PolarHBondContact O-N 3.23Å; T327-H331 VanDerWaalsContact O-N 3.07Å |
| 328 | T | 49.8 | Very low | 48.8 | Very low | 72 Ų | 72 | 82.1 Ų | 82.1 | 44% | 0.442 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -64 | -45.2 | 179.1 | -1.3 | 0 | 0 | 0 | 0 | 112.2 | D326 H331 Q332 | D326-T328 PolarHBondContact O-N 2.91Å; D326-T328 VanDerWaalsContact O-N 3.13Å; D326-T328 PolarHBondContact OD1-OG1 2.86Å; D326-T328 WeakPolarHBondContact OD2-CA 3.38Å; D326-T328 WeakPolarHBondContact OD2-CB 3.26Å; D326-T328 PolarHBondContact OD2-N 2.93Å; D326-T328 PolarHBondContact OD2-OG1 3.24Å; T328-H331 PolarHBondContact O-N 3.18Å; T328-Q332 WeakPolarHBondContact O-CG 3.16Å; T328-Q332 PolarHBondContact O-N 3.13Å |
| 329 | Y | 50.8 | Low | 49.7 | Very low | 104 Ų | 104 | 79.2 Ų | 79.2 | 41% | 0.408 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -64.6 | -40 | 177.1 | -158.8 | -83 | 0 | 0 | 0 | 112.3 | I321 D326 H331 Q332 H333 | I321-Y329 HydrophobicContact CD1-CD1 4.36Å; I321-Y329 HydrophobicContact CD1-CE1 3.7Å; I321-Y329 HydrophobicContact CG1-CE1 4.21Å; I321-Y329 HydrophobicContact CG2-CD1 3.74Å; I321-Y329 HydrophobicContact CG2-CE1 4.19Å; D326-Y329 PolarHBondContact O-N 2.86Å; D326-Y329 PolarHBondContact OD2-N 3.41Å; Y329-H331 VanDerWaalsContact C-N 3.35Å; Y329-H331 PolarHBondContact O-N 3.36Å; Y329-Q332 PolarHBondContact O-N 2.95Å; Y329-H333 HydrophobicContact CD1-CB 4.15Å; Y329-H333 AromaticContact CD2-CD2 3.69Å; Y329-H333 HydrophobicContact CE1-CB 3.79Å; Y329-H333 AromaticContact CE1-CD2 3.87Å; Y329-H333 AromaticContact CE2-CD2 3.48Å; Y329-H333 VanDerWaalsContact CE2-CD2 3.48Å; Y329-H333 WeakPolarHBondContact CE2-CD2 3.37Å; Y329-H333 AromaticContact CG-CD2 3.99Å; Y329-H333 AromaticContact CZ-CD2 3.59Å; Y329-H333 PolarHBondContact O-N 2.92Å |
| 330 | F | 52.7 | Low | 50.4 | Low | 71 Ų | 71 | 77.2 Ų | 77.2 | 31% | 0.311 | 40% | 0.398 | S | S | . | . | I | π-helix | trans | -58.9 | -45.8 | 173.6 | -179.6 | -93.4 | 0 | 0 | 0 | 111.4 | T327 I334 R335 L338 | T327-F330 PolarHBondContact O-N 3.49Å; F330-I334 HydrophobicContact CD2-CB 3.85Å; F330-I334 HydrophobicContact CD2-CD1 4.38Å; F330-I334 HydrophobicContact CD2-CG2 3.68Å; F330-I334 HydrophobicContact CE2-CB 4.22Å; F330-I334 HydrophobicContact CE2-CG2 3.58Å; F330-I334 HydrophobicContact CG-CB 4.48Å; F330-I334 PolarHBondContact O-N 3.28Å; F330-R335 HydrophobicContact CE1-CB 4.36Å; F330-R335 WeakPolarHBondContact O-CB 3.05Å; F330-R335 PolarHBondContact O-N 3.1Å; F330-L338 HydrophobicContact CE2-CD1 4.23Å; F330-L338 HydrophobicContact CZ-CD1 4.45Å |
| 331 | H | 55.5 | Low | 51 | Low | 80 Ų | 80 | 75 Ų | 75 | 37% | 0.37 | 39% | 0.39 | S | S | . | . | I | π-helix | trans | -67.8 | -35.2 | 179.4 | -81.4 | -71.7 | 0 | 0 | 0 | 113.9 | T327 T328 Y329 R335 | T327-H331 PolarHBondContact O-CD2 2.98Å; T327-H331 PolarHBondContact O-N 3.23Å; T327-H331 VanDerWaalsContact O-N 3.07Å; T328-H331 PolarHBondContact O-N 3.18Å; Y329-H331 VanDerWaalsContact C-N 3.35Å; Y329-H331 PolarHBondContact O-N 3.36Å; H331-R335 PolarHBondContact ND1-NH1 3.48Å |
| 332 | Q | 55.1 | Low | 52 | Low | 131 Ų | 131 | 73.9 Ų | 73.9 | 61% | 0.612 | 39% | 0.386 | S | S | * | . | I | π-helix | trans | -87 | -31.3 | -175.5 | -69.1 | -175.4 | 3.5 | 0 | 0 | 114.5 | T328 Y329 | T328-Q332 WeakPolarHBondContact O-CG 3.16Å; T328-Q332 PolarHBondContact O-N 3.13Å; Y329-Q332 PolarHBondContact O-N 2.95Å |
| 333 | H | 51.1 | Low | 53.1 | Low | 93 Ų | 93 | 68.7 Ų | 68.7 | 43% | 0.431 | 36% | 0.359 | S | S | . | . | I | π-helix | trans | -120 | -39.1 | -172.4 | -62.5 | -64.3 | 0 | 0 | 0 | 114.4 | Y329 I337 | Y329-H333 HydrophobicContact CD1-CB 4.15Å; Y329-H333 AromaticContact CD2-CD2 3.69Å; Y329-H333 HydrophobicContact CE1-CB 3.79Å; Y329-H333 AromaticContact CE1-CD2 3.87Å; Y329-H333 AromaticContact CE2-CD2 3.48Å; Y329-H333 VanDerWaalsContact CE2-CD2 3.48Å; Y329-H333 WeakPolarHBondContact CE2-CD2 3.37Å; Y329-H333 AromaticContact CG-CD2 3.99Å; Y329-H333 AromaticContact CZ-CD2 3.59Å; Y329-H333 PolarHBondContact O-N 2.92Å; H333-I337 WeakPolarHBondContact O-CD1 3.47Å |
| 334 | I | 50.3 | Low | 53.9 | Low | 11 Ų | 11 | 69.2 Ų | 69.2 | 6% | 0.056 | 35% | 0.345 | C | S | . | . | I | π-helix | trans | -89.6 | -43.1 | -175.5 | -65 | 176.4 | 0 | 0 | 0 | 112.2 | F318 I321 F330 I337 L338 | F318-I334 HydrophobicContact CE1-CD1 4.13Å; F318-I334 HydrophobicContact CE1-CG2 3.85Å; F318-I334 HydrophobicContact CZ-CD1 4.46Å; F318-I334 HydrophobicContact CZ-CG2 3.8Å; I321-I334 HydrophobicContact CB-CD1 4.42Å; I321-I334 HydrophobicContact CG2-CD1 3.66Å; F330-I334 HydrophobicContact CD2-CB 3.85Å; F330-I334 HydrophobicContact CD2-CD1 4.38Å; F330-I334 HydrophobicContact CD2-CG2 3.68Å; F330-I334 HydrophobicContact CE2-CB 4.22Å; F330-I334 HydrophobicContact CE2-CG2 3.58Å; F330-I334 HydrophobicContact CG-CB 4.48Å; F330-I334 PolarHBondContact O-N 3.28Å; I334-I337 PolarHBondContact O-N 2.96Å; I334-I337 VanDerWaalsContact O-N 3.14Å; I334-L338 HydrophobicContact CG2-CD1 3.64Å; I334-L338 HydrophobicContact CG2-CG 4.07Å; I334-L338 PolarHBondContact O-N 3.44Å |
| 335 | R | 60 | Low | 54.6 | Low | 19 Ų | 19 | 68.2 Ų | 68.2 | 7% | 0.072 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -52.8 | -48.2 | 177.8 | 169.5 | 164.2 | 105.2 | 173.1 | 0.7 | 112.2 | F330 H331 I337 L339 W369 G370 E380 | F330-R335 HydrophobicContact CE1-CB 4.36Å; F330-R335 WeakPolarHBondContact O-CB 3.05Å; F330-R335 PolarHBondContact O-N 3.1Å; H331-R335 PolarHBondContact ND1-NH1 3.48Å; R335-I337 VanDerWaalsContact C-N 3.31Å; R335-I337 PolarHBondContact O-N 2.88Å; R335-L339 HydrophobicContact CG-CD2 4.46Å; R335-L339 WeakPolarHBondContact O-CB 3.37Å; R335-L339 PolarHBondContact O-N 2.93Å; R335-W369 WeakPolarHBondContact CD-O 3.46Å; R335-W369 PolarHBondContact NH1-O 3.5Å; R335-G370 PolarHBondContact NH1-O 3.33Å; R335-E380 IonicContact CZ-OE2 2.79Å; R335-E380 IonicContact NE-OE2 3.39Å; R335-E380 IonicContact NH2-OE1 2.97Å; R335-E380 IonicContact NH2-OE2 2.73Å; R335-E380 PolarHBondContact NH2-OE2 2.95Å |
| 336 | P | 55.3 | Low | 55.7 | Low | 36 Ų | 36 | 62.5 Ų | 62.5 | 23% | 0.234 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -53.6 | -46.6 | 176.9 | -28.9 | 37.2 | 0 | 0 | 0 | 112.8 | T340 V384 | P336-T340 PolarHBondContact O-N 2.79Å; P336-T340 PolarHBondContact O-OG1 3.04Å; P336-V384 HydrophobicContact CB-CG2 4.04Å |
| 337 | I | 53.4 | Low | 56.4 | Low | 111 Ų | 111 | 59.6 Ų | 59.6 | 57% | 0.569 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -70 | -48.1 | -175.4 | -58.4 | 173.4 | 0 | 0 | 0 | 111.3 | H333 I334 R335 T340 L341 | H333-I337 WeakPolarHBondContact O-CD1 3.47Å; I334-I337 PolarHBondContact O-N 2.96Å; I334-I337 VanDerWaalsContact O-N 3.14Å; R335-I337 VanDerWaalsContact C-N 3.31Å; R335-I337 PolarHBondContact O-N 2.88Å; I337-T340 VanDerWaalsContact O-CB 3.26Å; I337-T340 WeakPolarHBondContact O-CB 3.34Å; I337-T340 PolarHBondContact O-N 3.06Å; I337-L341 PolarHBondContact O-N 3.07Å |
| 338 | L | 55.4 | Low | 56.9 | Low | 26 Ų | 26 | 59.5 Ų | 59.5 | 14% | 0.136 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -65.5 | -40.3 | 178 | -73 | 177.5 | 0 | 0 | 0 | 112.2 | M299 F330 I334 T340 L341 V342 W369 | M299-L338 HydrophobicContact CE-CD1 4.29Å; M299-L338 HydrophobicContact CE-CD2 4.44Å; M299-L338 HydrophobicContact SD-CD2 4.03Å; F330-L338 HydrophobicContact CE2-CD1 4.23Å; F330-L338 HydrophobicContact CZ-CD1 4.45Å; I334-L338 HydrophobicContact CG2-CD1 3.64Å; I334-L338 HydrophobicContact CG2-CG 4.07Å; I334-L338 PolarHBondContact O-N 3.44Å; L338-T340 VanDerWaalsContact C-N 3.31Å; L338-T340 PolarHBondContact O-N 3.3Å; L338-L341 PolarHBondContact O-N 3.03Å; L338-V342 PolarHBondContact O-N 2.74Å; L338-W369 HydrophobicContact CB-CH2 4.02Å; L338-W369 HydrophobicContact CB-CZ3 3.74Å |
| 339 | L | 62.6 | Low | 57.2 | Low | 2 Ų | 2 | 61.6 Ų | 61.6 | 1% | 0.01 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -65.9 | -34.2 | 177.1 | -176.6 | 50.7 | 0 | 0 | 0 | 111.6 | R335 L343 F364 W366 W369 I371 L381 | R335-L339 HydrophobicContact CG-CD2 4.46Å; R335-L339 WeakPolarHBondContact O-CB 3.37Å; R335-L339 PolarHBondContact O-N 2.93Å; L339-L343 WeakPolarHBondContact O-CB 3.39Å; L339-L343 PolarHBondContact O-N 2.75Å; L339-F364 HydrophobicContact CD1-CE1 3.74Å; L339-F364 HydrophobicContact CD1-CZ 3.96Å; L339-W366 HydrophobicContact CD1-CZ3 4.15Å; L339-W366 HydrophobicContact CD2-CZ3 4.23Å; L339-W366 HydrophobicContact CG-CZ3 4.44Å; L339-W369 HydrophobicContact CB-CD2 4.48Å; L339-W369 HydrophobicContact CB-CE3 4.06Å; L339-W369 HydrophobicContact CB-CZ3 4.33Å; L339-W369 HydrophobicContact CD1-CB 4.42Å; L339-W369 HydrophobicContact CD1-CD2 3.83Å; L339-W369 HydrophobicContact CD1-CE3 4.28Å; L339-W369 HydrophobicContact CD1-CG 3.83Å; L339-W369 HydrophobicContact CD2-CB 4.48Å; L339-I371 HydrophobicContact CD2-CD1 3.55Å; L339-L381 HydrophobicContact CD2-CD1 4.08Å; L339-L381 HydrophobicContact CD2-CD2 3.97Å; L339-L381 HydrophobicContact CG-CD2 4.26Å |
| 340 | T | 59.4 | Low | 57.4 | Low | 28 Ų | 28 | 60.9 Ų | 60.9 | 17% | 0.172 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -54 | -57 | 169.5 | -51.8 | 0 | 0 | 0 | 0 | 110.7 | P336 I337 L338 V342 L343 R344 V384 L388 | P336-T340 PolarHBondContact O-N 2.79Å; P336-T340 PolarHBondContact O-OG1 3.04Å; I337-T340 VanDerWaalsContact O-CB 3.26Å; I337-T340 WeakPolarHBondContact O-CB 3.34Å; I337-T340 PolarHBondContact O-N 3.06Å; L338-T340 VanDerWaalsContact C-N 3.31Å; L338-T340 PolarHBondContact O-N 3.3Å; T340-V342 VanDerWaalsContact C-N 3.31Å; T340-V342 PolarHBondContact O-N 3.38Å; T340-L343 PolarHBondContact O-N 3.38Å; T340-R344 VanDerWaalsContact O-CB 3.25Å; T340-R344 WeakPolarHBondContact O-CB 3.3Å; T340-R344 PolarHBondContact O-N 3.36Å; T340-V384 HydrophobicContact CG2-CG1 4.42Å; T340-V384 WeakPolarHBondContact OG1-CG1 3.41Å; T340-L388 HydrophobicContact CG2-CD1 4.31Å; T340-L388 HydrophobicContact CG2-CD2 3.86Å; T340-L388 HydrophobicContact CG2-CG 3.82Å |
| 341 | L | 55.5 | Low | 57.4 | Low | 99 Ų | 99 | 64.5 Ų | 64.5 | 52% | 0.518 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -65.2 | -34.7 | -173.9 | -65.9 | 171.8 | 0 | 0 | 0 | 112.5 | I337 L338 R345 | I337-L341 PolarHBondContact O-N 3.07Å; L338-L341 PolarHBondContact O-N 3.03Å; L341-R345 PolarHBondContact O-N 3.14Å |
| 342 | V | 61.7 | Low | 57.3 | Low | 22 Ų | 22 | 62 Ų | 62 | 13% | 0.133 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -76.7 | -44.6 | 178.2 | 165.8 | 0 | 0 | 0 | 0 | 112.2 | C295 L338 T340 R344 R345 W346 F364 W369 | C295-V342 HydrophobicContact CB-CG2 4.28Å; C295-V342 WeakPolarHBondContact SG-CG1 3.32Å; L338-V342 PolarHBondContact O-N 2.74Å; T340-V342 VanDerWaalsContact C-N 3.31Å; T340-V342 PolarHBondContact O-N 3.38Å; V342-R344 VanDerWaalsContact C-N 3.32Å; V342-R344 PolarHBondContact O-N 3.43Å; V342-R345 PolarHBondContact O-N 2.97Å; V342-W346 WeakPolarHBondContact O-CB 3.4Å; V342-W346 PolarHBondContact O-N 3.26Å; V342-F364 HydrophobicContact CG1-CE2 4.21Å; V342-F364 HydrophobicContact CG1-CZ 3.98Å; V342-W369 HydrophobicContact CB-CH2 4.27Å; V342-W369 HydrophobicContact CB-CZ2 3.82Å; V342-W369 HydrophobicContact CG1-CZ2 3.78Å; V342-W369 HydrophobicContact CG2-CH2 3.9Å; V342-W369 HydrophobicContact CG2-CZ2 3.7Å |
| 343 | L | 65.2 | Low | 57.1 | Low | 1 Ų | 1 | 61.9 Ų | 61.9 | 1% | 0.005 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -61.4 | -43.5 | 177.3 | -167.7 | 73.3 | 0 | 0 | 0 | 110.6 | L339 T340 R345 W346 L347 L361 F364 W366 L385 L388 | L339-L343 WeakPolarHBondContact O-CB 3.39Å; L339-L343 PolarHBondContact O-N 2.75Å; T340-L343 PolarHBondContact O-N 3.38Å; L343-R345 PolarHBondContact O-N 2.9Å; L343-W346 PolarHBondContact O-N 3.39Å; L343-L347 HydrophobicContact CG-CD1 4.12Å; L343-L347 WeakPolarHBondContact O-CB 2.98Å; L343-L347 WeakPolarHBondContact O-CG 3.35Å; L343-L347 PolarHBondContact O-N 3.19Å; L343-L361 HydrophobicContact CD1-CD2 4.18Å; L343-L361 HydrophobicContact CD2-CD2 3.96Å; L343-L361 HydrophobicContact CG-CD2 4.43Å; L343-F364 HydrophobicContact CD1-CB 4.19Å; L343-F364 HydrophobicContact CD1-CD1 3.92Å; L343-F364 HydrophobicContact CD1-CD2 3.44Å; L343-F364 VanDerWaalsContact CD1-CD2 3.44Å; L343-F364 HydrophobicContact CD1-CE1 4.14Å; L343-F364 HydrophobicContact CD1-CE2 3.7Å; L343-F364 HydrophobicContact CD1-CG 3.56Å; L343-F364 HydrophobicContact CD1-CZ 4.04Å; L343-W366 HydrophobicContact CD1-CH2 3.76Å; L343-W366 HydrophobicContact CD1-CZ2 4.18Å; L343-W366 HydrophobicContact CD1-CZ3 4.44Å; L343-W366 HydrophobicContact CD2-CH2 3.96Å; L343-L385 HydrophobicContact CD2-CD2 4.05Å; L343-L388 HydrophobicContact CD2-CD1 3.83Å |
| 344 | R | 60.5 | Low | 57.3 | Low | 86 Ų | 86 | 59.2 Ų | 59.2 | 33% | 0.325 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -50.2 | -53.7 | 171.2 | 177.1 | 168.2 | -159.7 | 174.6 | 15.4 | 112.1 | T340 V342 W346 L347 N348 L388 T391 D392 | T340-R344 VanDerWaalsContact O-CB 3.25Å; T340-R344 WeakPolarHBondContact O-CB 3.3Å; T340-R344 PolarHBondContact O-N 3.36Å; V342-R344 VanDerWaalsContact C-N 3.32Å; V342-R344 PolarHBondContact O-N 3.43Å; R344-W346 PolarHBondContact O-N 3.15Å; R344-L347 PolarHBondContact O-N 3.12Å; R344-N348 WeakPolarHBondContact O-CB 3.39Å; R344-N348 VanDerWaalsContact O-CG 3.26Å; R344-N348 PolarHBondContact O-N 3.27Å; R344-L388 HydrophobicContact CB-CD2 3.84Å; R344-T391 PolarHBondContact NH2-O 2.82Å; R344-D392 WeakPolarHBondContact CD-OD2 3.3Å; R344-D392 VanDerWaalsContact CG-OD2 3.3Å; R344-D392 WeakPolarHBondContact CG-OD2 3.4Å; R344-D392 IonicContact CZ-OD1 3.13Å; R344-D392 IonicContact CZ-OD2 3.73Å; R344-D392 VanDerWaalsContact NE-CG 3.26Å; R344-D392 IonicContact NE-OD1 2.73Å; R344-D392 PolarHBondContact NE-OD1 3.2Å; R344-D392 IonicContact NE-OD2 3.09Å; R344-D392 PolarHBondContact NE-OD2 3.18Å; R344-D392 VanDerWaalsContact NE-OD2 3.09Å; R344-D392 IonicContact NH2-OD1 2.72Å; R344-D392 PolarHBondContact NH2-OD1 2.88Å; R344-D392 IonicContact NH2-OD2 3.87Å |
| 345 | R | 54.3 | Low | 57.4 | Low | 135 Ų | 135 | 63.4 Ų | 63.4 | 51% | 0.509 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -71.1 | -30.9 | -177 | -160.7 | 174 | -169.6 | 147.8 | 10.3 | 113.1 | Q298 L341 V342 L343 N349 | Q298-R345 VanDerWaalsContact NE2-CZ 3.33Å; L341-R345 PolarHBondContact O-N 3.14Å; V342-R345 PolarHBondContact O-N 2.97Å; L343-R345 PolarHBondContact O-N 2.9Å; R345-N349 PolarHBondContact O-N 3.31Å; R345-N349 PolarHBondContact O-OD1 2.94Å |
| 346 | W | 64.9 | Low | 57 | Low | 16 Ų | 16 | 69.3 Ų | 69.3 | 6% | 0.061 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -68.1 | -47.9 | 174.1 | -173.6 | 90.8 | 0 | 0 | 0 | 111.4 | V342 L343 R344 N348 N349 F350 F360 I363 F364 | V342-W346 WeakPolarHBondContact O-CB 3.4Å; V342-W346 PolarHBondContact O-N 3.26Å; L343-W346 PolarHBondContact O-N 3.39Å; R344-W346 PolarHBondContact O-N 3.15Å; W346-N348 VanDerWaalsContact C-N 3.32Å; W346-N348 PolarHBondContact O-N 3.09Å; W346-N349 WeakPolarHBondContact O-CB 3.22Å; W346-N349 PolarHBondContact O-N 3.47Å; W346-N349 VanDerWaalsContact O-N 3.14Å; W346-F350 HydrophobicContact CD2-CD2 4.1Å; W346-F350 HydrophobicContact CD2-CE2 4.06Å; W346-F350 AromaticContact CE2-CE2 3.59Å; W346-F350 HydrophobicContact CE3-CD2 4.35Å; W346-F350 HydrophobicContact CH2-CE2 4.47Å; W346-F350 HydrophobicContact CZ2-CD2 4.31Å; W346-F350 AromaticContact CZ2-CE2 3.84Å; W346-F350 HydrophobicContact CZ2-CE2 3.84Å; W346-F350 AromaticContact NE1-CE2 3.72Å; W346-F350 WeakPolarHBondContact O-CD2 3.45Å; W346-F360 HydrophobicContact CH2-CB 4.5Å; W346-F360 WeakPolarHBondContact CH2-O 3.11Å; W346-F360 HydrophobicContact CZ3-CB 4.24Å; W346-I363 HydrophobicContact CH2-CB 4.35Å; W346-F364 HydrophobicContact CB-CD2 4.18Å; W346-F364 HydrophobicContact CB-CE2 3.97Å; W346-F364 AromaticContact CD2-CD2 3.58Å; W346-F364 HydrophobicContact CD2-CD2 3.58Å; W346-F364 HydrophobicContact CD2-CE2 4.25Å; W346-F364 AromaticContact CE2-CD2 3.94Å; W346-F364 HydrophobicContact CE3-CB 4.44Å; W346-F364 AromaticContact CE3-CD2 3.8Å; W346-F364 HydrophobicContact CE3-CD2 3.8Å; W346-F364 AromaticContact CG-CD2 3.77Å; W346-F364 HydrophobicContact CG-CD2 3.77Å; W346-F364 AromaticContact CG-CE2 3.95Å; W346-F364 HydrophobicContact CG-CE2 3.95Å; W346-F364 HydrophobicContact CH2-CB 4.07Å; W346-F364 HydrophobicContact CZ2-CB 4.33Å; W346-F364 HydrophobicContact CZ2-CD2 4.46Å; W346-F364 HydrophobicContact CZ3-CB 4.13Å; W346-F364 HydrophobicContact CZ3-CD2 4.33Å |
| 347 | L | 62.2 | Low | 57.2 | Low | 20 Ų | 20 | 70.1 Ų | 70.1 | 11% | 0.105 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -60 | -41.2 | 176 | -70.6 | 169.1 | 0 | 0 | 0 | 112 | L343 R344 N349 F350 N351 V352 L357 F360 | L343-L347 HydrophobicContact CG-CD1 4.12Å; L343-L347 WeakPolarHBondContact O-CB 2.98Å; L343-L347 WeakPolarHBondContact O-CG 3.35Å; L343-L347 PolarHBondContact O-N 3.19Å; R344-L347 PolarHBondContact O-N 3.12Å; L347-N349 VanDerWaalsContact C-N 3.31Å; L347-N349 PolarHBondContact O-N 3.08Å; L347-F350 PolarHBondContact O-N 3.38Å; L347-N351 PolarHBondContact O-N 2.86Å; L347-V352 HydrophobicContact CD2-CG2 4.43Å; L347-L357 HydrophobicContact CD1-CD2 3.91Å; L347-L357 HydrophobicContact CD2-CD2 4.04Å; L347-F360 HydrophobicContact CD2-CB 4.48Å |
| 348 | N | 59.3 | Low | 57.5 | Low | 86 Ų | 86 | 69.5 Ų | 69.5 | 46% | 0.46 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -65.7 | -29.4 | 176.7 | -71.7 | -9.7 | 0 | 0 | 0 | 113.2 | R344 W346 F350 | R344-N348 WeakPolarHBondContact O-CB 3.39Å; R344-N348 VanDerWaalsContact O-CG 3.26Å; R344-N348 PolarHBondContact O-N 3.27Å; W346-N348 VanDerWaalsContact C-N 3.32Å; W346-N348 PolarHBondContact O-N 3.09Å; N348-F350 PolarHBondContact O-N 3.34Å |
| 349 | N | 57 | Low | 57.6 | Low | 116 Ų | 116 | 73.5 Ų | 73.5 | 62% | 0.62 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -69.6 | -18.5 | 172.8 | -78.7 | 3.7 | 0 | 0 | 0 | 113.3 | R345 W346 L347 | R345-N349 PolarHBondContact O-N 3.31Å; R345-N349 PolarHBondContact O-OD1 2.94Å; W346-N349 WeakPolarHBondContact O-CB 3.22Å; W346-N349 PolarHBondContact O-N 3.47Å; W346-N349 VanDerWaalsContact O-N 3.14Å; L347-N349 VanDerWaalsContact C-N 3.31Å; L347-N349 PolarHBondContact O-N 3.08Å |
| 350 | F | 54.8 | Low | 57.7 | Low | 90 Ų | 90 | 75.9 Ų | 75.9 | 40% | 0.395 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.7 | 1.8 | -179.4 | -77.2 | -74.9 | 0 | 0 | 0 | 114.5 | W346 L347 N348 V352 F360 | W346-F350 HydrophobicContact CD2-CD2 4.1Å; W346-F350 HydrophobicContact CD2-CE2 4.06Å; W346-F350 AromaticContact CE2-CE2 3.59Å; W346-F350 HydrophobicContact CE3-CD2 4.35Å; W346-F350 HydrophobicContact CH2-CE2 4.47Å; W346-F350 HydrophobicContact CZ2-CD2 4.31Å; W346-F350 AromaticContact CZ2-CE2 3.84Å; W346-F350 HydrophobicContact CZ2-CE2 3.84Å; W346-F350 AromaticContact NE1-CE2 3.72Å; W346-F350 WeakPolarHBondContact O-CD2 3.45Å; L347-F350 PolarHBondContact O-N 3.38Å; N348-F350 PolarHBondContact O-N 3.34Å; F350-V352 VanDerWaalsContact C-N 3.32Å; F350-V352 HydrophobicContact CB-CG2 3.66Å; F350-V352 PolarHBondContact O-N 3.07Å; F350-F360 HydrophobicContact CB-CD1 4.42Å; F350-F360 HydrophobicContact CB-CE1 4.26Å; F350-F360 HydrophobicContact CD1-CE1 4.09Å; F350-F360 HydrophobicContact CG-CD1 4.4Å; F350-F360 HydrophobicContact CG-CE1 4.24Å |
| 351 | N | 51.6 | Low | 58.1 | Low | 146 Ų | 146 | 75.3 Ų | 75.3 | 78% | 0.781 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50 | 46.3 | -179.4 | -73.3 | -24.1 | 0 | 0 | 0 | 113.6 | L347 N353 | L347-N351 PolarHBondContact O-N 2.86Å; N351-N353 PolarHBondContact O-N 3.08Å |
| 352 | V | 54 | Low | 58.6 | Low | 27 Ų | 27 | 73.9 Ų | 73.9 | 16% | 0.164 | 38% | 0.381 | C | S | . | . | trans | -82.2 | 99.8 | -172.7 | -171.6 | 0 | 0 | 0 | 0 | 111.8 | L347 F350 R356 F360 | L347-V352 HydrophobicContact CD2-CG2 4.43Å; F350-V352 VanDerWaalsContact C-N 3.32Å; F350-V352 HydrophobicContact CB-CG2 3.66Å; F350-V352 PolarHBondContact O-N 3.07Å; V352-R356 HydrophobicContact CG1-CB 3.8Å; V352-F360 HydrophobicContact CG1-CD2 3.82Å; V352-F360 HydrophobicContact CG1-CE2 4.39Å; V352-F360 HydrophobicContact CG1-CG 4.37Å; V352-F360 HydrophobicContact CG2-CB 4.33Å; V352-F360 HydrophobicContact CG2-CD1 4.15Å; V352-F360 HydrophobicContact CG2-CD2 3.84Å; V352-F360 HydrophobicContact CG2-CE1 4.45Å; V352-F360 HydrophobicContact CG2-CE2 4.18Å; V352-F360 HydrophobicContact CG2-CG 3.83Å; V352-F360 HydrophobicContact CG2-CZ 4.47Å | ||
| 353 | N | 51.1 | Low | 58.7 | Low | 130 Ų | 130 | 77.7 Ų | 77.7 | 70% | 0.695 | 40% | 0.4 | S | S | * | . | trans | -62.5 | 146.5 | 167.3 | -75.8 | -13.4 | 0 | 0 | 0 | 111.3 | N351 S355 R356 | N351-N353 PolarHBondContact O-N 3.08Å; N353-S355 VanDerWaalsContact C-N 3.26Å; N353-S355 PolarHBondContact O-N 2.98Å; N353-R356 PolarHBondContact O-N 2.88Å | ||
| 354 | G | 54.1 | Low | 58.8 | Low | 36 Ų | 36 | 78 Ų | 78 | 37% | 0.371 | 40% | 0.401 | S | S | . | . | G | 310 helix | trans | -52.6 | -31 | -163.5 | 0 | 0 | 0 | 0 | 0 | 117.1 | R356 L357 | G354-R356 PolarHBondContact O-N 2.98Å; G354-L357 PolarHBondContact O-N 3.43Å |
| 355 | S | 52.2 | Low | 58.8 | Low | 100 Ų | 100 | 74 Ų | 74 | 70% | 0.699 | 39% | 0.386 | S | S | * | . | G | 310 helix | trans | -65.1 | -17.8 | 176.6 | 54.7 | 0 | 0 | 0 | 0 | 114.5 | N353 | N353-S355 VanDerWaalsContact C-N 3.26Å; N353-S355 PolarHBondContact O-N 2.98Å |
| 356 | R | 53.1 | Low | 59.5 | Low | 143 Ų | 143 | 67.9 Ų | 67.9 | 54% | 0.54 | 36% | 0.363 | S | S | . | . | G | 310 helix | trans | -103.2 | 0.6 | 179.7 | -72.2 | -170.1 | 134.4 | 150.3 | 6.5 | 114.9 | V352 N353 G354 V358 E359 F360 | V352-R356 HydrophobicContact CG1-CB 3.8Å; N353-R356 PolarHBondContact O-N 2.88Å; G354-R356 PolarHBondContact O-N 2.98Å; R356-V358 PolarHBondContact O-N 2.84Å; R356-V358 VanDerWaalsContact O-N 3.11Å; R356-E359 WeakPolarHBondContact CD-OE2 3.41Å; R356-E359 VanDerWaalsContact CG-OE2 3.31Å; R356-E359 WeakPolarHBondContact CG-OE2 3.32Å; R356-E359 IonicContact CZ-OE2 3.71Å; R356-E359 IonicContact NE-OE2 2.77Å; R356-E359 PolarHBondContact NE-OE2 2.96Å; R356-E359 IonicContact NH2-OE2 3.86Å; R356-E359 WeakPolarHBondContact O-CB 3.34Å; R356-E359 PolarHBondContact O-N 3.39Å; R356-F360 HydrophobicContact CB-CD2 4.23Å; R356-F360 HydrophobicContact CB-CE2 4.27Å; R356-F360 PolarHBondContact O-N 3.45Å |
| 357 | L | 59.4 | Low | 59.1 | Low | 53 Ų | 53 | 76.1 Ų | 76.1 | 28% | 0.277 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -53 | -36.8 | 178.2 | -85.8 | 164.7 | 0 | 0 | 0 | 112.6 | L347 G354 E359 F360 L361 | L347-L357 HydrophobicContact CD1-CD2 3.91Å; L347-L357 HydrophobicContact CD2-CD2 4.04Å; G354-L357 PolarHBondContact O-N 3.43Å; L357-E359 VanDerWaalsContact C-N 3.33Å; L357-E359 PolarHBondContact O-N 2.83Å; L357-F360 PolarHBondContact O-N 3.49Å; L357-L361 WeakPolarHBondContact O-CB 3.42Å; L357-L361 WeakPolarHBondContact O-CD1 3.44Å; L357-L361 VanDerWaalsContact O-CG 3.23Å; L357-L361 WeakPolarHBondContact O-CG 3.43Å; L357-L361 PolarHBondContact O-N 3.41Å; L357-L361 VanDerWaalsContact O-N 3.12Å |
| 358 | V | 59.2 | Low | 58.8 | Low | 98 Ų | 98 | 77.9 Ų | 77.9 | 59% | 0.594 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -67.7 | -28.4 | 178.4 | -174.1 | 0 | 0 | 0 | 0 | 112.9 | R356 P362 | R356-V358 PolarHBondContact O-N 2.84Å; R356-V358 VanDerWaalsContact O-N 3.11Å; V358-P362 WeakPolarHBondContact O-CD 3.31Å; V358-P362 WeakPolarHBondContact O-CG 3.4Å |
| 359 | E | 58.5 | Low | 58.9 | Low | 109 Ų | 109 | 76.1 Ų | 76.1 | 51% | 0.509 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -77.7 | -35 | 178.2 | -60.5 | -174 | 141 | 0 | 0 | 112.2 | R356 L357 I363 | R356-E359 WeakPolarHBondContact CD-OE2 3.41Å; R356-E359 VanDerWaalsContact CG-OE2 3.31Å; R356-E359 WeakPolarHBondContact CG-OE2 3.32Å; R356-E359 IonicContact CZ-OE2 3.71Å; R356-E359 IonicContact NE-OE2 2.77Å; R356-E359 PolarHBondContact NE-OE2 2.96Å; R356-E359 IonicContact NH2-OE2 3.86Å; R356-E359 WeakPolarHBondContact O-CB 3.34Å; R356-E359 PolarHBondContact O-N 3.39Å; L357-E359 VanDerWaalsContact C-N 3.33Å; L357-E359 PolarHBondContact O-N 2.83Å; E359-I363 WeakPolarHBondContact O-CD1 3.26Å |
| 360 | F | 63.5 | Low | 59 | Low | 52 Ų | 52 | 73 Ų | 73 | 23% | 0.228 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -91.5 | -33.8 | -173.5 | -77.8 | -92.1 | 0 | 0 | 0 | 114.4 | W346 L347 F350 V352 R356 L357 P362 I363 | W346-F360 HydrophobicContact CH2-CB 4.5Å; W346-F360 WeakPolarHBondContact CH2-O 3.11Å; W346-F360 HydrophobicContact CZ3-CB 4.24Å; L347-F360 HydrophobicContact CD2-CB 4.48Å; F350-F360 HydrophobicContact CB-CD1 4.42Å; F350-F360 HydrophobicContact CB-CE1 4.26Å; F350-F360 HydrophobicContact CD1-CE1 4.09Å; F350-F360 HydrophobicContact CG-CD1 4.4Å; F350-F360 HydrophobicContact CG-CE1 4.24Å; V352-F360 HydrophobicContact CG1-CD2 3.82Å; V352-F360 HydrophobicContact CG1-CE2 4.39Å; V352-F360 HydrophobicContact CG1-CG 4.37Å; V352-F360 HydrophobicContact CG2-CB 4.33Å; V352-F360 HydrophobicContact CG2-CD1 4.15Å; V352-F360 HydrophobicContact CG2-CD2 3.84Å; V352-F360 HydrophobicContact CG2-CE1 4.45Å; V352-F360 HydrophobicContact CG2-CE2 4.18Å; V352-F360 HydrophobicContact CG2-CG 3.83Å; V352-F360 HydrophobicContact CG2-CZ 4.47Å; R356-F360 HydrophobicContact CB-CD2 4.23Å; R356-F360 HydrophobicContact CB-CE2 4.27Å; R356-F360 PolarHBondContact O-N 3.45Å; L357-F360 PolarHBondContact O-N 3.49Å; F360-P362 VanDerWaalsContact C-CD 3.44Å; F360-P362 VanDerWaalsContact C-N 3.35Å; F360-I363 WeakPolarHBondContact O-CB 3.45Å; F360-I363 PolarHBondContact O-N 3.33Å |
| 361 | L | 67.7 | Low | 59.4 | Low | 16 Ų | 16 | 68.8 Ų | 68.8 | 8% | 0.084 | 37% | 0.371 | C | S | . | . | G | 310 helix | trans | -57.2 | -34.8 | 179.9 | -73.8 | 167.6 | 0 | 0 | 0 | 114.8 | L343 L357 I363 W366 F374 L385 | L343-L361 HydrophobicContact CD1-CD2 4.18Å; L343-L361 HydrophobicContact CD2-CD2 3.96Å; L343-L361 HydrophobicContact CG-CD2 4.43Å; L357-L361 WeakPolarHBondContact O-CB 3.42Å; L357-L361 WeakPolarHBondContact O-CD1 3.44Å; L357-L361 VanDerWaalsContact O-CG 3.23Å; L357-L361 WeakPolarHBondContact O-CG 3.43Å; L357-L361 PolarHBondContact O-N 3.41Å; L357-L361 VanDerWaalsContact O-N 3.12Å; L361-I363 PolarHBondContact O-N 3.29Å; L361-W366 HydrophobicContact CD2-CZ2 4.24Å; L361-W366 PolarHBondContact O-NE1 2.84Å; L361-F374 HydrophobicContact CB-CD2 4Å; L361-F374 HydrophobicContact CB-CE1 4.22Å; L361-F374 HydrophobicContact CB-CE2 3.49Å; L361-F374 VanDerWaalsContact CB-CE2 3.49Å; L361-F374 HydrophobicContact CB-CZ 3.6Å; L361-F374 HydrophobicContact CD1-CE2 4.07Å; L361-F374 HydrophobicContact CD1-CZ 4Å; L361-F374 HydrophobicContact CG-CE2 4.26Å; L361-F374 HydrophobicContact CG-CZ 4.43Å; L361-L385 HydrophobicContact CD2-CD2 4.47Å |
| 362 | P | 66.8 | Low | 59.8 | Low | 69 Ų | 69 | 65.6 Ų | 65.6 | 45% | 0.448 | 36% | 0.357 | S | S | . | . | G | 310 helix | trans | -63.6 | -19 | 172.4 | -23.8 | 34.3 | 0 | 0 | 0 | 115.3 | V358 F360 F374 | V358-P362 WeakPolarHBondContact O-CD 3.31Å; V358-P362 WeakPolarHBondContact O-CG 3.4Å; F360-P362 VanDerWaalsContact C-CD 3.44Å; F360-P362 VanDerWaalsContact C-N 3.35Å; P362-F374 HydrophobicContact CB-CD1 4.31Å; P362-F374 HydrophobicContact CG-CD1 3.79Å; P362-F374 HydrophobicContact CG-CE1 4.13Å |
| 363 | I | 62.3 | Low | 60.1 | Low | 103 Ų | 103 | 68 Ų | 68 | 53% | 0.528 | 37% | 0.369 | S | S | . | . | G | 310 helix | trans | -97.1 | -9.4 | -171.6 | -49.8 | 176.7 | 0 | 0 | 0 | 111.6 | W346 E359 F360 L361 | W346-I363 HydrophobicContact CH2-CB 4.35Å; E359-I363 WeakPolarHBondContact O-CD1 3.26Å; F360-I363 WeakPolarHBondContact O-CB 3.45Å; F360-I363 PolarHBondContact O-N 3.33Å; L361-I363 PolarHBondContact O-N 3.29Å |
| 364 | F | 68.1 | Low | 60.6 | Low | 6 Ų | 6 | 64.1 Ų | 64.1 | 3% | 0.026 | 35% | 0.346 | C | S | . | . | S | Bend | trans | -67 | 142.4 | 176.7 | -178.6 | -93.5 | 0 | 0 | 0 | 111.9 | L339 V342 L343 W346 W366 W369 | L339-F364 HydrophobicContact CD1-CE1 3.74Å; L339-F364 HydrophobicContact CD1-CZ 3.96Å; V342-F364 HydrophobicContact CG1-CE2 4.21Å; V342-F364 HydrophobicContact CG1-CZ 3.98Å; L343-F364 HydrophobicContact CD1-CB 4.19Å; L343-F364 HydrophobicContact CD1-CD1 3.92Å; L343-F364 HydrophobicContact CD1-CD2 3.44Å; L343-F364 VanDerWaalsContact CD1-CD2 3.44Å; L343-F364 HydrophobicContact CD1-CE1 4.14Å; L343-F364 HydrophobicContact CD1-CE2 3.7Å; L343-F364 HydrophobicContact CD1-CG 3.56Å; L343-F364 HydrophobicContact CD1-CZ 4.04Å; W346-F364 HydrophobicContact CB-CD2 4.18Å; W346-F364 HydrophobicContact CB-CE2 3.97Å; W346-F364 AromaticContact CD2-CD2 3.58Å; W346-F364 HydrophobicContact CD2-CD2 3.58Å; W346-F364 HydrophobicContact CD2-CE2 4.25Å; W346-F364 AromaticContact CE2-CD2 3.94Å; W346-F364 HydrophobicContact CE3-CB 4.44Å; W346-F364 AromaticContact CE3-CD2 3.8Å; W346-F364 HydrophobicContact CE3-CD2 3.8Å; W346-F364 AromaticContact CG-CD2 3.77Å; W346-F364 HydrophobicContact CG-CD2 3.77Å; W346-F364 AromaticContact CG-CE2 3.95Å; W346-F364 HydrophobicContact CG-CE2 3.95Å; W346-F364 HydrophobicContact CH2-CB 4.07Å; W346-F364 HydrophobicContact CZ2-CB 4.33Å; W346-F364 HydrophobicContact CZ2-CD2 4.46Å; W346-F364 HydrophobicContact CZ3-CB 4.13Å; W346-F364 HydrophobicContact CZ3-CD2 4.33Å; F364-W366 HydrophobicContact CB-CZ2 4.1Å; F364-W366 AromaticContact CD1-CD2 3.61Å; F364-W366 HydrophobicContact CD1-CD2 3.61Å; F364-W366 AromaticContact CD1-CE2 3.76Å; F364-W366 AromaticContact CD1-CE3 3.69Å; F364-W366 HydrophobicContact CD1-CE3 3.69Å; F364-W366 HydrophobicContact CD1-CG 4.11Å; F364-W366 HydrophobicContact CD1-CH2 4.08Å; F364-W366 HydrophobicContact CD1-CZ2 4.01Å; F364-W366 AromaticContact CD1-CZ3 3.92Å; F364-W366 HydrophobicContact CD1-CZ3 3.92Å; F364-W366 HydrophobicContact CE1-CD2 4.36Å; F364-W366 HydrophobicContact CE1-CE3 4.01Å; F364-W366 HydrophobicContact CE1-CZ3 4.13Å; F364-W366 HydrophobicContact CG-CZ2 4.33Å; F364-W366 PolarHBondContact O-N 2.86Å; F364-W369 AromaticContact CE1-CD1 3.87Å; F364-W369 AromaticContact CZ-NE1 3.9Å |
| 365 | P | 61.6 | Low | 61.2 | Low | 3 Ų | 3 | 68.9 Ų | 68.9 | 2% | 0.019 | 36% | 0.359 | C | S | . | . | trans | -72 | 63.9 | 179.5 | 28.6 | -36.9 | 0 | 0 | 0 | 114.2 | E288 C291 R367 C368 | E288-P365 HydrophobicContact CB-CB 4.16Å; E288-P365 HydrophobicContact CG-CB 4.02Å; C291-P365 HydrophobicContact CB-CG 3.85Å; P365-R367 PolarHBondContact O-N 3.2Å; P365-R367 VanDerWaalsContact O-N 3.12Å; P365-C368 HydrophobicContact CB-CB 4.42Å; P365-C368 WeakPolarHBondContact O-CB 3.33Å; P365-C368 PolarHBondContact O-N 3.35Å; P365-C368 VanDerWaalsContact O-N 3.1Å | ||
| 366 | W | 68.4 | Low | 61.6 | Low | 7 Ų | 7 | 67.9 Ų | 67.9 | 3% | 0.027 | 34% | 0.343 | C | S | . | . | G | 310 helix | trans | -51.5 | -35.9 | 177.9 | -62.9 | 109.3 | 0 | 0 | 0 | 112.9 | L339 L343 L361 F364 C368 W369 G370 I371 F374 A377 L381 | L339-W366 HydrophobicContact CD1-CZ3 4.15Å; L339-W366 HydrophobicContact CD2-CZ3 4.23Å; L339-W366 HydrophobicContact CG-CZ3 4.44Å; L343-W366 HydrophobicContact CD1-CH2 3.76Å; L343-W366 HydrophobicContact CD1-CZ2 4.18Å; L343-W366 HydrophobicContact CD1-CZ3 4.44Å; L343-W366 HydrophobicContact CD2-CH2 3.96Å; L361-W366 HydrophobicContact CD2-CZ2 4.24Å; L361-W366 PolarHBondContact O-NE1 2.84Å; F364-W366 HydrophobicContact CB-CZ2 4.1Å; F364-W366 AromaticContact CD1-CD2 3.61Å; F364-W366 HydrophobicContact CD1-CD2 3.61Å; F364-W366 AromaticContact CD1-CE2 3.76Å; F364-W366 AromaticContact CD1-CE3 3.69Å; F364-W366 HydrophobicContact CD1-CE3 3.69Å; F364-W366 HydrophobicContact CD1-CG 4.11Å; F364-W366 HydrophobicContact CD1-CH2 4.08Å; F364-W366 HydrophobicContact CD1-CZ2 4.01Å; F364-W366 AromaticContact CD1-CZ3 3.92Å; F364-W366 HydrophobicContact CD1-CZ3 3.92Å; F364-W366 HydrophobicContact CE1-CD2 4.36Å; F364-W366 HydrophobicContact CE1-CE3 4.01Å; F364-W366 HydrophobicContact CE1-CZ3 4.13Å; F364-W366 HydrophobicContact CG-CZ2 4.33Å; F364-W366 PolarHBondContact O-N 2.86Å; W366-C368 VanDerWaalsContact C-N 3.31Å; W366-C368 PolarHBondContact O-N 2.93Å; W366-W369 WeakPolarHBondContact O-CA 3.35Å; W366-W369 WeakPolarHBondContact O-CB 3.42Å; W366-W369 PolarHBondContact O-N 2.67Å; W366-G370 PolarHBondContact O-N 2.69Å; W366-I371 CarbonylContact C-O 3.49Å; W366-I371 HydrophobicContact CB-CB 4.06Å; W366-I371 HydrophobicContact CB-CG2 4.13Å; W366-I371 HydrophobicContact CE3-CD1 4.08Å; W366-I371 PolarHBondContact O-N 3.09Å; W366-I371 VanDerWaalsContact O-N 3.12Å; W366-I371 VanDerWaalsContact O-O 3.1Å; W366-F374 AromaticContact CE2-CD2 3.95Å; W366-F374 AromaticContact CZ2-CD2 3.79Å; W366-F374 HydrophobicContact CZ2-CD2 3.79Å; W366-F374 HydrophobicContact CZ2-CE2 4.35Å; W366-F374 AromaticContact NE1-CD2 3.89Å; W366-A377 HydrophobicContact CD2-CB 3.73Å; W366-A377 HydrophobicContact CE3-CB 3.71Å; W366-A377 HydrophobicContact CG-CB 4.41Å; W366-A377 HydrophobicContact CH2-CB 4.12Å; W366-A377 HydrophobicContact CZ2-CB 4.13Å; W366-A377 HydrophobicContact CZ3-CB 3.92Å; W366-L381 HydrophobicContact CE3-CD1 4.22Å; W366-L381 HydrophobicContact CH2-CD1 3.85Å; W366-L381 HydrophobicContact CZ3-CD1 3.38Å |
| 367 | R | 56.8 | Low | 61.8 | Low | 189 Ų | 189 | 61.1 Ų | 61.1 | 71% | 0.713 | 32% | 0.317 | S | S | * | . | G | 310 helix | trans | -64 | -32.1 | -178.5 | -68.6 | -179.9 | 177.1 | -176 | -2.2 | 113.4 | P365 W369 G370 I371 T372 | P365-R367 PolarHBondContact O-N 3.2Å; P365-R367 VanDerWaalsContact O-N 3.12Å; R367-W369 PolarHBondContact O-N 3.18Å; R367-G370 PolarHBondContact O-N 2.88Å; R367-G370 VanDerWaalsContact O-N 3.08Å; R367-I371 WeakPolarHBondContact CA-O 3.26Å; R367-I371 PolarHBondContact N-O 3.41Å; R367-I371 VanDerWaalsContact N-O 3.08Å; R367-T372 PolarHBondContact NE-O 3.02Å |
| 368 | C | 55.8 | Low | 61.8 | Low | 56 Ų | 56 | 64.2 Ų | 64.2 | 38% | 0.378 | 33% | 0.325 | S | S | . | . | G | 310 helix | trans | -66.6 | -15.3 | 174.7 | -61.4 | 0 | 0 | 0 | 0 | 113 | V292 P365 W366 | V292-C368 HydrophobicContact CG2-CB 3.87Å; V292-C368 VanDerWaalsContact CG2-SG 3.54Å; P365-C368 HydrophobicContact CB-CB 4.42Å; P365-C368 WeakPolarHBondContact O-CB 3.33Å; P365-C368 PolarHBondContact O-N 3.35Å; P365-C368 VanDerWaalsContact O-N 3.1Å; W366-C368 VanDerWaalsContact C-N 3.31Å; W366-C368 PolarHBondContact O-N 2.93Å |
| 369 | W | 61.2 | Low | 61.7 | Low | 50 Ų | 50 | 67.5 Ų | 67.5 | 19% | 0.189 | 33% | 0.332 | C | S | . | . | G | 310 helix | trans | -104.3 | 4.9 | 175.8 | -66.9 | 84 | 0 | 0 | 0 | 113.2 | R335 L338 L339 V342 F364 W366 R367 | R335-W369 WeakPolarHBondContact CD-O 3.46Å; R335-W369 PolarHBondContact NH1-O 3.5Å; L338-W369 HydrophobicContact CB-CH2 4.02Å; L338-W369 HydrophobicContact CB-CZ3 3.74Å; L339-W369 HydrophobicContact CB-CD2 4.48Å; L339-W369 HydrophobicContact CB-CE3 4.06Å; L339-W369 HydrophobicContact CB-CZ3 4.33Å; L339-W369 HydrophobicContact CD1-CB 4.42Å; L339-W369 HydrophobicContact CD1-CD2 3.83Å; L339-W369 HydrophobicContact CD1-CE3 4.28Å; L339-W369 HydrophobicContact CD1-CG 3.83Å; L339-W369 HydrophobicContact CD2-CB 4.48Å; V342-W369 HydrophobicContact CB-CH2 4.27Å; V342-W369 HydrophobicContact CB-CZ2 3.82Å; V342-W369 HydrophobicContact CG1-CZ2 3.78Å; V342-W369 HydrophobicContact CG2-CH2 3.9Å; V342-W369 HydrophobicContact CG2-CZ2 3.7Å; F364-W369 AromaticContact CE1-CD1 3.87Å; F364-W369 AromaticContact CZ-NE1 3.9Å; W366-W369 WeakPolarHBondContact O-CA 3.35Å; W366-W369 WeakPolarHBondContact O-CB 3.42Å; W366-W369 PolarHBondContact O-N 2.67Å; R367-W369 PolarHBondContact O-N 3.18Å |
| 370 | G | 59 | Low | 61.6 | Low | 50 Ų | 50 | 67.3 Ų | 67.3 | 52% | 0.515 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.1 | 33.8 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | R335 W366 R367 | R335-G370 PolarHBondContact NH1-O 3.33Å; W366-G370 PolarHBondContact O-N 2.69Å; R367-G370 PolarHBondContact O-N 2.88Å; R367-G370 VanDerWaalsContact O-N 3.08Å |
| 371 | I | 64 | Low | 61.1 | Low | 2 Ų | 2 | 65.1 Ų | 65.1 | 1% | 0.01 | 32% | 0.321 | C | S | . | . | trans | -117.3 | 129 | 170.9 | -61.1 | 170.4 | 0 | 0 | 0 | 106.8 | L339 W366 R367 D373 E376 A377 L381 | L339-I371 HydrophobicContact CD2-CD1 3.55Å; W366-I371 CarbonylContact C-O 3.49Å; W366-I371 HydrophobicContact CB-CB 4.06Å; W366-I371 HydrophobicContact CB-CG2 4.13Å; W366-I371 HydrophobicContact CE3-CD1 4.08Å; W366-I371 PolarHBondContact O-N 3.09Å; W366-I371 VanDerWaalsContact O-N 3.12Å; W366-I371 VanDerWaalsContact O-O 3.1Å; R367-I371 WeakPolarHBondContact CA-O 3.26Å; R367-I371 PolarHBondContact N-O 3.41Å; R367-I371 VanDerWaalsContact N-O 3.08Å; I371-D373 VanDerWaalsContact CG2-O 3.3Å; I371-D373 WeakPolarHBondContact CG2-O 3.31Å; I371-E376 HydrophobicContact CG2-CB 4.14Å; I371-E376 HydrophobicContact CG2-CG 4.29Å; I371-A377 HydrophobicContact CG2-CB 3.92Å; I371-L381 HydrophobicContact CD1-CD1 4.32Å | ||
| 372 | T | 58.4 | Low | 60.5 | Low | 78 Ų | 78 | 66.2 Ų | 66.2 | 48% | 0.479 | 33% | 0.33 | S | S | . | . | trans | -75.4 | -35.7 | -166.8 | 59.2 | 0 | 0 | 0 | 0 | 113.6 | R367 E376 | R367-T372 PolarHBondContact NE-O 3.02Å; T372-E376 WeakPolarHBondContact CB-OE2 3.47Å; T372-E376 WeakPolarHBondContact CG2-OE2 3.22Å; T372-E376 PolarHBondContact N-OE2 2.85Å; T372-E376 PolarHBondContact OG1-OE2 3.27Å | ||
| 373 | D | 61.5 | Low | 59.7 | Low | 79 Ų | 79 | 66.8 Ų | 66.8 | 42% | 0.422 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -156.1 | -178.9 | 175.1 | 70.6 | 35.1 | 0 | 0 | 0 | 113.5 | I371 Q375 E376 A377 | I371-D373 VanDerWaalsContact CG2-O 3.3Å; I371-D373 WeakPolarHBondContact CG2-O 3.31Å; D373-Q375 WeakPolarHBondContact OD1-CA 3.06Å; D373-Q375 WeakPolarHBondContact OD1-CB 3.47Å; D373-Q375 PolarHBondContact OD1-N 2.74Å; D373-E376 PolarHBondContact OD1-N 3.13Å; D373-A377 WeakPolarHBondContact O-CB 3.39Å; D373-A377 PolarHBondContact O-N 3.3Å; D373-A377 VanDerWaalsContact O-N 3.09Å |
| 374 | F | 61.7 | Low | 59.1 | Low | 47 Ų | 47 | 62.8 Ų | 62.8 | 21% | 0.206 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -72.7 | -20.9 | 179.9 | 175.8 | -123.2 | 0 | 0 | 0 | 114.9 | L361 P362 W366 A377 R378 | L361-F374 HydrophobicContact CB-CD2 4Å; L361-F374 HydrophobicContact CB-CE1 4.22Å; L361-F374 HydrophobicContact CB-CE2 3.49Å; L361-F374 VanDerWaalsContact CB-CE2 3.49Å; L361-F374 HydrophobicContact CB-CZ 3.6Å; L361-F374 HydrophobicContact CD1-CE2 4.07Å; L361-F374 HydrophobicContact CD1-CZ 4Å; L361-F374 HydrophobicContact CG-CE2 4.26Å; L361-F374 HydrophobicContact CG-CZ 4.43Å; P362-F374 HydrophobicContact CB-CD1 4.31Å; P362-F374 HydrophobicContact CG-CD1 3.79Å; P362-F374 HydrophobicContact CG-CE1 4.13Å; W366-F374 AromaticContact CE2-CD2 3.95Å; W366-F374 AromaticContact CZ2-CD2 3.79Å; W366-F374 HydrophobicContact CZ2-CD2 3.79Å; W366-F374 HydrophobicContact CZ2-CE2 4.35Å; W366-F374 AromaticContact NE1-CD2 3.89Å; F374-A377 HydrophobicContact CD2-CB 4.15Å; F374-A377 WeakPolarHBondContact O-CB 3.44Å; F374-R378 WeakPolarHBondContact O-CB 3.43Å; F374-R378 PolarHBondContact O-N 3.43Å |
| 375 | Q | 65.3 | Low | 58.2 | Low | 137 Ų | 137 | 63.9 Ų | 63.9 | 64% | 0.64 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -77.4 | -37.6 | 175.1 | -68.9 | -154.8 | 14.8 | 0 | 0 | 112 | D373 A377 R378 K379 | D373-Q375 WeakPolarHBondContact OD1-CA 3.06Å; D373-Q375 WeakPolarHBondContact OD1-CB 3.47Å; D373-Q375 PolarHBondContact OD1-N 2.74Å; Q375-A377 VanDerWaalsContact C-N 3.32Å; Q375-R378 PolarHBondContact O-N 3.34Å; Q375-K379 PolarHBondContact O-N 2.74Å |
| 376 | E | 60.9 | Low | 57.8 | Low | 79 Ų | 79 | 64.2 Ų | 64.2 | 37% | 0.369 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -62 | -44.3 | 167.7 | -169.5 | 169.9 | -121.2 | 0 | 0 | 110 | I371 T372 D373 R378 K379 E380 | I371-E376 HydrophobicContact CG2-CB 4.14Å; I371-E376 HydrophobicContact CG2-CG 4.29Å; T372-E376 WeakPolarHBondContact CB-OE2 3.47Å; T372-E376 WeakPolarHBondContact CG2-OE2 3.22Å; T372-E376 PolarHBondContact N-OE2 2.85Å; T372-E376 PolarHBondContact OG1-OE2 3.27Å; D373-E376 PolarHBondContact OD1-N 3.13Å; E376-R378 PolarHBondContact O-N 3.42Å; E376-K379 PolarHBondContact O-N 2.96Å; E376-K379 VanDerWaalsContact O-N 3.14Å; E376-E380 PolarHBondContact O-N 3.38Å |
| 377 | A | 58.2 | Low | 56.8 | Low | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -53.9 | -50.1 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | W366 I371 D373 F374 Q375 K379 E380 L381 | W366-A377 HydrophobicContact CD2-CB 3.73Å; W366-A377 HydrophobicContact CE3-CB 3.71Å; W366-A377 HydrophobicContact CG-CB 4.41Å; W366-A377 HydrophobicContact CH2-CB 4.12Å; W366-A377 HydrophobicContact CZ2-CB 4.13Å; W366-A377 HydrophobicContact CZ3-CB 3.92Å; I371-A377 HydrophobicContact CG2-CB 3.92Å; D373-A377 WeakPolarHBondContact O-CB 3.39Å; D373-A377 PolarHBondContact O-N 3.3Å; D373-A377 VanDerWaalsContact O-N 3.09Å; F374-A377 HydrophobicContact CD2-CB 4.15Å; F374-A377 WeakPolarHBondContact O-CB 3.44Å; Q375-A377 VanDerWaalsContact C-N 3.32Å; A377-K379 PolarHBondContact O-N 2.94Å; A377-E380 PolarHBondContact O-N 3.41Å; A377-L381 HydrophobicContact CB-CD1 3.86Å; A377-L381 VanDerWaalsContact O-CB 3.25Å; A377-L381 WeakPolarHBondContact O-CB 3.37Å; A377-L381 PolarHBondContact O-N 3.08Å |
| 378 | R | 58.4 | Low | 56.4 | Low | 118 Ų | 118 | 57.7 Ų | 57.7 | 45% | 0.445 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -59.7 | -29 | -180 | -171.8 | 176.1 | 179.2 | -171.4 | -1 | 112.9 | F374 Q375 E376 C382 L409 | F374-R378 WeakPolarHBondContact O-CB 3.43Å; F374-R378 PolarHBondContact O-N 3.43Å; Q375-R378 PolarHBondContact O-N 3.34Å; E376-R378 PolarHBondContact O-N 3.42Å; R378-C382 PolarHBondContact O-SG 3.27Å; R378-C382 VanDerWaalsContact O-SG 3.37Å; R378-L409 PolarHBondContact NH2-O 2.87Å |
| 379 | K | 57.2 | Low | 56.1 | Low | 167 Ų | 167 | 56.3 Ų | 56.3 | 73% | 0.726 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -82.5 | -31.3 | 179.9 | -73.3 | 170.7 | -179.1 | 166.6 | 0 | 113.8 | Q375 E376 A377 | Q375-K379 PolarHBondContact O-N 2.74Å; E376-K379 PolarHBondContact O-N 2.96Å; E376-K379 VanDerWaalsContact O-N 3.14Å; A377-K379 PolarHBondContact O-N 2.94Å |
| 380 | E | 56.7 | Low | 55.4 | Low | 105 Ų | 105 | 57 Ų | 57 | 49% | 0.491 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -87.3 | -39.9 | 174.6 | -70.2 | -163 | 159.3 | 0 | 0 | 113.1 | R335 E376 A377 C382 | R335-E380 IonicContact CZ-OE2 2.79Å; R335-E380 IonicContact NE-OE2 3.39Å; R335-E380 IonicContact NH2-OE1 2.97Å; R335-E380 IonicContact NH2-OE2 2.73Å; R335-E380 PolarHBondContact NH2-OE2 2.95Å; E376-E380 PolarHBondContact O-N 3.38Å; A377-E380 PolarHBondContact O-N 3.41Å; E380-C382 PolarHBondContact O-N 2.83Å |
| 381 | L | 52.9 | Low | 54.7 | Low | 6 Ų | 6 | 55.8 Ų | 55.8 | 3% | 0.031 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -87.3 | 3.8 | -170.8 | -70.5 | 150.4 | 0 | 0 | 0 | 114.3 | L339 W366 I371 A377 V384 L385 | L339-L381 HydrophobicContact CD2-CD1 4.08Å; L339-L381 HydrophobicContact CD2-CD2 3.97Å; L339-L381 HydrophobicContact CG-CD2 4.26Å; W366-L381 HydrophobicContact CE3-CD1 4.22Å; W366-L381 HydrophobicContact CH2-CD1 3.85Å; W366-L381 HydrophobicContact CZ3-CD1 3.38Å; I371-L381 HydrophobicContact CD1-CD1 4.32Å; A377-L381 HydrophobicContact CB-CD1 3.86Å; A377-L381 VanDerWaalsContact O-CB 3.25Å; A377-L381 WeakPolarHBondContact O-CB 3.37Å; A377-L381 PolarHBondContact O-N 3.08Å; L381-V384 HydrophobicContact CB-CB 4.28Å; L381-V384 HydrophobicContact CD2-CB 3.69Å; L381-V384 HydrophobicContact CD2-CG1 3.71Å; L381-V384 HydrophobicContact CD2-CG2 4.02Å; L381-V384 CarbonylContact O-C 3.5Å; L381-V384 WeakPolarHBondContact O-CA 3.34Å; L381-V384 WeakPolarHBondContact O-CB 3.17Å; L381-V384 PolarHBondContact O-N 3.29Å; L381-L385 HydrophobicContact CB-CD1 3.85Å; L381-L385 HydrophobicContact CB-CG 4.02Å; L381-L385 WeakPolarHBondContact O-CB 3.33Å; L381-L385 PolarHBondContact O-N 3.17Å |
| 382 | C | 54.6 | Low | 53.7 | Low | 39 Ų | 39 | 58.3 Ų | 58.3 | 26% | 0.264 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -46.2 | -50.2 | 178.8 | -101.4 | 0 | 0 | 0 | 0 | 114.1 | R378 E380 V384 G386 | R378-C382 PolarHBondContact O-SG 3.27Å; R378-C382 VanDerWaalsContact O-SG 3.37Å; E380-C382 PolarHBondContact O-N 2.83Å; C382-V384 VanDerWaalsContact C-N 3.27Å; C382-V384 PolarHBondContact O-N 3.48Å; C382-G386 PolarHBondContact O-N 3.33Å; C382-G386 VanDerWaalsContact O-N 3.12Å |
| 383 | P | 50.4 | Low | 52.9 | Low | 82 Ų | 82 | 59.6 Ų | 59.6 | 53% | 0.532 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -66.7 | -27.7 | 176.4 | -19.3 | 33.1 | 0 | 0 | 0 | 113.6 | N387 | P383-N387 PolarHBondContact O-N 3.41Å; P383-N387 PolarHBondContact O-ND2 2.87Å |
| 384 | V | 49 | Very low | 51.6 | Low | 19 Ų | 19 | 63.2 Ų | 63.2 | 12% | 0.115 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -84.4 | -40.4 | -174 | -174.9 | 0 | 0 | 0 | 0 | 111.4 | P336 T340 L381 C382 G386 N387 L388 | P336-V384 HydrophobicContact CB-CG2 4.04Å; T340-V384 HydrophobicContact CG2-CG1 4.42Å; T340-V384 WeakPolarHBondContact OG1-CG1 3.41Å; L381-V384 HydrophobicContact CB-CB 4.28Å; L381-V384 HydrophobicContact CD2-CB 3.69Å; L381-V384 HydrophobicContact CD2-CG1 3.71Å; L381-V384 HydrophobicContact CD2-CG2 4.02Å; L381-V384 CarbonylContact O-C 3.5Å; L381-V384 WeakPolarHBondContact O-CA 3.34Å; L381-V384 WeakPolarHBondContact O-CB 3.17Å; L381-V384 PolarHBondContact O-N 3.29Å; C382-V384 VanDerWaalsContact C-N 3.27Å; C382-V384 PolarHBondContact O-N 3.48Å; V384-G386 VanDerWaalsContact C-N 3.33Å; V384-N387 CarbonylContact O-C 3.3Å; V384-N387 PolarHBondContact O-N 3.01Å; V384-L388 HydrophobicContact CG1-CD1 4.45Å; V384-L388 PolarHBondContact O-N 3.49Å |
| 385 | L | 51 | Low | 50.3 | Low | 28 Ų | 28 | 68.2 Ų | 68.2 | 15% | 0.147 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -67 | -34.9 | 171.2 | -74.6 | 163.6 | 0 | 0 | 0 | 111.1 | L343 L361 L381 L388 A389 | L343-L385 HydrophobicContact CD2-CD2 4.05Å; L361-L385 HydrophobicContact CD2-CD2 4.47Å; L381-L385 HydrophobicContact CB-CD1 3.85Å; L381-L385 HydrophobicContact CB-CG 4.02Å; L381-L385 WeakPolarHBondContact O-CB 3.33Å; L381-L385 PolarHBondContact O-N 3.17Å; L385-L388 HydrophobicContact CD2-CD1 4.15Å; L385-L388 PolarHBondContact O-N 2.88Å; L385-A389 WeakPolarHBondContact O-CB 3.24Å; L385-A389 PolarHBondContact O-N 3.02Å |
| 386 | G | 52.6 | Low | 48.9 | Very low | 10 Ų | 10 | 68.2 Ų | 68.2 | 10% | 0.103 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -57.5 | -50.8 | 166.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | C382 V384 L388 A389 L390 | C382-G386 PolarHBondContact O-N 3.33Å; C382-G386 VanDerWaalsContact O-N 3.12Å; V384-G386 VanDerWaalsContact C-N 3.33Å; G386-L388 PolarHBondContact O-N 2.79Å; G386-A389 PolarHBondContact O-N 3.01Å; G386-L390 WeakPolarHBondContact O-CD1 3.48Å; G386-L390 VanDerWaalsContact O-CG 3.28Å; G386-L390 WeakPolarHBondContact O-CG 3.09Å; G386-L390 PolarHBondContact O-N 3.22Å; G386-L390 VanDerWaalsContact O-N 3.09Å |
| 387 | N | 47.9 | Very low | 47.8 | Very low | 47 Ų | 47 | 69 Ų | 69 | 25% | 0.251 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -63 | -36.9 | 175.7 | -74.8 | -25.6 | 0 | 0 | 0 | 113.3 | P383 V384 L390 T391 | P383-N387 PolarHBondContact O-N 3.41Å; P383-N387 PolarHBondContact O-ND2 2.87Å; V384-N387 CarbonylContact O-C 3.3Å; V384-N387 PolarHBondContact O-N 3.01Å; N387-L390 PolarHBondContact O-N 3.07Å; N387-T391 WeakPolarHBondContact O-CB 3.31Å; N387-T391 VanDerWaalsContact O-CG2 3.24Å; N387-T391 WeakPolarHBondContact O-CG2 3.35Å; N387-T391 PolarHBondContact O-N 2.78Å; N387-T391 PolarHBondContact O-OG1 2.98Å |
| 388 | L | 47.3 | Very low | 47.1 | Very low | 12 Ų | 12 | 72.5 Ų | 72.5 | 6% | 0.063 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -61.9 | -50.9 | 173.3 | -82.8 | 154.4 | 0 | 0 | 0 | 111.9 | T340 L343 R344 V384 L385 G386 L390 T391 D392 | T340-L388 HydrophobicContact CG2-CD1 4.31Å; T340-L388 HydrophobicContact CG2-CD2 3.86Å; T340-L388 HydrophobicContact CG2-CG 3.82Å; L343-L388 HydrophobicContact CD2-CD1 3.83Å; R344-L388 HydrophobicContact CB-CD2 3.84Å; V384-L388 HydrophobicContact CG1-CD1 4.45Å; V384-L388 PolarHBondContact O-N 3.49Å; L385-L388 HydrophobicContact CD2-CD1 4.15Å; L385-L388 PolarHBondContact O-N 2.88Å; G386-L388 PolarHBondContact O-N 2.79Å; L388-L390 PolarHBondContact O-N 3.33Å; L388-L390 VanDerWaalsContact O-N 3.13Å; L388-T391 PolarHBondContact O-N 3.28Å; L388-T391 PolarHBondContact O-OG1 2.71Å; L388-D392 PolarHBondContact O-N 3.12Å; L388-D392 VanDerWaalsContact O-N 3.09Å |
| 389 | A | 49.3 | Very low | 46.5 | Very low | 27 Ų | 27 | 74.2 Ų | 74.2 | 22% | 0.223 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -60.7 | -23.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | L385 G386 F393 I406 | L385-A389 WeakPolarHBondContact O-CB 3.24Å; L385-A389 PolarHBondContact O-N 3.02Å; G386-A389 PolarHBondContact O-N 3.01Å; A389-F393 WeakPolarHBondContact O-CD2 3.31Å; A389-I406 HydrophobicContact CB-CD1 4.23Å |
| 390 | L | 46.5 | Very low | 45.9 | Very low | 66 Ų | 66 | 72 Ų | 72 | 35% | 0.346 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -91.7 | -21.1 | 174.8 | -67.8 | 165.7 | 0 | 0 | 0 | 114.2 | G386 N387 L388 L417 I421 | G386-L390 WeakPolarHBondContact O-CD1 3.48Å; G386-L390 VanDerWaalsContact O-CG 3.28Å; G386-L390 WeakPolarHBondContact O-CG 3.09Å; G386-L390 PolarHBondContact O-N 3.22Å; G386-L390 VanDerWaalsContact O-N 3.09Å; N387-L390 PolarHBondContact O-N 3.07Å; L388-L390 PolarHBondContact O-N 3.33Å; L388-L390 VanDerWaalsContact O-N 3.13Å; L390-L417 HydrophobicContact CD1-CD2 4.39Å; L390-I421 HydrophobicContact CD1-CD1 4.24Å; L390-I421 HydrophobicContact CD1-CG1 3.55Å; L390-I421 HydrophobicContact CD2-CG1 4.5Å |
| 391 | T | 44.9 | Very low | 45.5 | Very low | 23 Ų | 23 | 73.5 Ų | 73.5 | 14% | 0.141 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -102.3 | -13.1 | -175.5 | 53.9 | 0 | 0 | 0 | 0 | 115 | R344 N387 L388 H424 | R344-T391 PolarHBondContact NH2-O 2.82Å; N387-T391 WeakPolarHBondContact O-CB 3.31Å; N387-T391 VanDerWaalsContact O-CG2 3.24Å; N387-T391 WeakPolarHBondContact O-CG2 3.35Å; N387-T391 PolarHBondContact O-N 2.78Å; N387-T391 PolarHBondContact O-OG1 2.98Å; L388-T391 PolarHBondContact O-N 3.28Å; L388-T391 PolarHBondContact O-OG1 2.71Å; T391-H424 VanDerWaalsContact CG2-CE1 3.48Å; T391-H424 WeakPolarHBondContact CG2-CE1 3.36Å; T391-H424 WeakPolarHBondContact CG2-NE2 3.27Å |
| 392 | D | 42.1 | Very low | 45.2 | Very low | 56 Ų | 56 | 76.6 Ų | 76.6 | 30% | 0.299 | 40% | 0.4 | S | S | . | . | S | Bend | trans | -103.4 | -13 | 173.7 | -82.6 | -59.8 | 0 | 0 | 0 | 114.5 | R344 L388 Y394 | R344-D392 WeakPolarHBondContact CD-OD2 3.3Å; R344-D392 VanDerWaalsContact CG-OD2 3.3Å; R344-D392 WeakPolarHBondContact CG-OD2 3.4Å; R344-D392 IonicContact CZ-OD1 3.13Å; R344-D392 IonicContact CZ-OD2 3.73Å; R344-D392 VanDerWaalsContact NE-CG 3.26Å; R344-D392 IonicContact NE-OD1 2.73Å; R344-D392 PolarHBondContact NE-OD1 3.2Å; R344-D392 IonicContact NE-OD2 3.09Å; R344-D392 PolarHBondContact NE-OD2 3.18Å; R344-D392 VanDerWaalsContact NE-OD2 3.09Å; R344-D392 IonicContact NH2-OD1 2.72Å; R344-D392 PolarHBondContact NH2-OD1 2.88Å; R344-D392 IonicContact NH2-OD2 3.87Å; L388-D392 PolarHBondContact O-N 3.12Å; L388-D392 VanDerWaalsContact O-N 3.09Å; D392-Y394 PolarHBondContact O-N 2.93Å |
| 393 | F | 42.7 | Very low | 44.9 | Very low | 104 Ų | 104 | 77.7 Ų | 77.7 | 46% | 0.456 | 40% | 0.403 | S | S | . | . | trans | -99 | 43.7 | 178.1 | -76 | -85.9 | 0 | 0 | 0 | 113.6 | A389 E395 | A389-F393 WeakPolarHBondContact O-CD2 3.31Å; F393-E395 PolarHBondContact O-N 2.86Å | ||
| 394 | Y | 33.4 | Very low | 44.8 | Very low | 156 Ų | 156 | 77.1 Ų | 77.1 | 61% | 0.612 | 40% | 0.395 | S | S | * | . | trans | -82.1 | 55.4 | 179.4 | -109 | -95 | 0 | 0 | 0 | 113.6 | D392 Q438 | D392-Y394 PolarHBondContact O-N 2.93Å; Y394-Q438 PolarHBondContact OH-NE2 2.83Å | ||
| 395 | E | 34.3 | Very low | 44.8 | Very low | 152 Ų | 152 | 80.5 Ų | 80.5 | 71% | 0.71 | 41% | 0.411 | S | S | * | . | S | Bend | trans | -111.8 | 142.1 | 154.8 | -80 | -158.8 | 144.7 | 0 | 0 | 109.6 | F393 T397 | F393-E395 PolarHBondContact O-N 2.86Å; E395-T397 PolarHBondContact O-N 3.06Å |
| 396 | P | 37.1 | Very low | 44.7 | Very low | 136 Ų | 136 | 81.5 Ų | 81.5 | 88% | 0.883 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78 | 26.5 | -168.5 | 32.5 | -36.3 | 0 | 0 | 0 | 114.6 | ||
| 397 | T | 37.9 | Very low | 44.6 | Very low | 95 Ų | 95 | 82.3 Ų | 82.3 | 58% | 0.583 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -138.9 | 19.3 | -166.1 | 49.3 | 0 | 0 | 0 | 0 | 114.1 | E395 K399 | E395-T397 PolarHBondContact O-N 3.06Å; T397-K399 PolarHBondContact O-N 2.69Å |
| 398 | M | 43 | Very low | 44.8 | Very low | 74 Ų | 74 | 84 Ų | 84 | 37% | 0.365 | 44% | 0.436 | S | S | . | . | trans | -55.3 | 120.4 | 172.8 | -168.2 | -179.8 | -164.2 | 0 | 0 | 110.5 | D402 I403 I406 | M398-D402 HydrophobicContact CE-CB 3.78Å; M398-D402 HydrophobicContact CG-CB 4.18Å; M398-I403 HydrophobicContact CE-CG1 4.15Å; M398-I403 HydrophobicContact CG-CG1 4.31Å; M398-I403 HydrophobicContact SD-CD1 4.41Å; M398-I403 HydrophobicContact SD-CG1 3.86Å; M398-I406 HydrophobicContact CE-CD1 3.68Å | ||
| 399 | K | 45.5 | Very low | 44.9 | Very low | 154 Ų | 154 | 87.1 Ų | 87.1 | 67% | 0.67 | 45% | 0.452 | S | S | * | . | trans | -83 | 152.7 | -174.2 | -69.4 | 178 | -179.1 | 172.2 | 0 | 110.3 | T397 H401 D402 | T397-K399 PolarHBondContact O-N 2.69Å; K399-H401 PolarHBondContact O-N 3.3Å; K399-D402 PolarHBondContact N-OD2 3.5Å; K399-D402 PolarHBondContact O-N 3.26Å | ||
| 400 | L | 44.6 | Very low | 45.1 | Very low | 120 Ų | 120 | 87.7 Ų | 87.7 | 63% | 0.628 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -53.7 | -25.5 | 178.8 | -133.5 | 86.5 | 0 | 0 | 0 | 113.3 | N404 | L400-N404 WeakPolarHBondContact O-CB 3.48Å; L400-N404 VanDerWaalsContact O-CG 3.23Å; L400-N404 PolarHBondContact O-N 2.94Å; L400-N404 PolarHBondContact O-ND2 3.25Å |
| 401 | H | 48.6 | Very low | 45.4 | Very low | 137 Ų | 137 | 87.7 Ų | 87.7 | 63% | 0.634 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -66.8 | -37.3 | 177.2 | -164 | -20.8 | 0 | 0 | 0 | 112.9 | K399 N404 M405 | K399-H401 PolarHBondContact O-N 3.3Å; H401-N404 PolarHBondContact O-N 2.85Å; H401-M405 PolarHBondContact O-N 2.91Å |
| 402 | D | 46 | Very low | 45.8 | Very low | 71 Ų | 71 | 90.7 Ų | 90.7 | 38% | 0.38 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -75 | -39.6 | -177.9 | -53.2 | -59.2 | 0 | 0 | 0 | 110.3 | M398 K399 N404 M405 I406 | M398-D402 HydrophobicContact CE-CB 3.78Å; M398-D402 HydrophobicContact CG-CB 4.18Å; K399-D402 PolarHBondContact N-OD2 3.5Å; K399-D402 PolarHBondContact O-N 3.26Å; D402-N404 VanDerWaalsContact C-N 3.31Å; D402-N404 PolarHBondContact O-N 3.48Å; D402-M405 PolarHBondContact O-N 2.88Å; D402-M405 VanDerWaalsContact O-N 3.16Å; D402-I406 WeakPolarHBondContact O-CG1 3.06Å; D402-I406 PolarHBondContact O-N 3.12Å |
| 403 | I | 49.7 | Very low | 46.6 | Very low | 62 Ų | 62 | 92.4 Ų | 92.4 | 32% | 0.318 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -60.7 | -40.5 | 168.9 | -62.3 | 175.6 | 0 | 0 | 0 | 110.5 | M398 M405 I406 S407 | M398-I403 HydrophobicContact CE-CG1 4.15Å; M398-I403 HydrophobicContact CG-CG1 4.31Å; M398-I403 HydrophobicContact SD-CD1 4.41Å; M398-I403 HydrophobicContact SD-CG1 3.86Å; I403-M405 PolarHBondContact O-N 3.33Å; I403-I406 PolarHBondContact O-N 3.44Å; I403-S407 WeakPolarHBondContact O-CB 3.37Å; I403-S407 PolarHBondContact O-N 3.05Å |
| 404 | N | 48.2 | Very low | 47.3 | Very low | 70 Ų | 70 | 88.8 Ų | 88.8 | 37% | 0.374 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -66.5 | -32.5 | 174.3 | -78.9 | -20.8 | 0 | 0 | 0 | 113.2 | L400 H401 D402 S407 S408 | L400-N404 WeakPolarHBondContact O-CB 3.48Å; L400-N404 VanDerWaalsContact O-CG 3.23Å; L400-N404 PolarHBondContact O-N 2.94Å; L400-N404 PolarHBondContact O-ND2 3.25Å; H401-N404 PolarHBondContact O-N 2.85Å; D402-N404 VanDerWaalsContact C-N 3.31Å; D402-N404 PolarHBondContact O-N 3.48Å; N404-S407 WeakPolarHBondContact O-CB 3.28Å; N404-S407 PolarHBondContact O-N 3.24Å; N404-S408 WeakPolarHBondContact O-CB 3.4Å; N404-S408 PolarHBondContact O-N 3.12Å; N404-S408 PolarHBondContact O-OG 3.41Å |
| 405 | M | 47.5 | Very low | 48.4 | Very low | 91 Ų | 91 | 81.5 Ų | 81.5 | 45% | 0.448 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -72 | -38.1 | 176.4 | -159.5 | -168.5 | -59.3 | 0 | 0 | 111.9 | H401 D402 I403 S408 L409 | H401-M405 PolarHBondContact O-N 2.91Å; D402-M405 PolarHBondContact O-N 2.88Å; D402-M405 VanDerWaalsContact O-N 3.16Å; I403-M405 PolarHBondContact O-N 3.33Å; M405-S408 WeakPolarHBondContact CA-OG 3.46Å; M405-S408 PolarHBondContact O-OG 2.86Å; M405-L409 WeakPolarHBondContact O-CG 3.27Å; M405-L409 PolarHBondContact O-N 2.85Å |
| 406 | I | 50.5 | Low | 49.4 | Very low | 49 Ų | 49 | 79.3 Ų | 79.3 | 25% | 0.251 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -67.4 | -42.8 | 171.4 | -65.2 | 169.7 | 0 | 0 | 0 | 110 | A389 M398 D402 I403 S408 L409 F410 | A389-I406 HydrophobicContact CB-CD1 4.23Å; M398-I406 HydrophobicContact CE-CD1 3.68Å; D402-I406 WeakPolarHBondContact O-CG1 3.06Å; D402-I406 PolarHBondContact O-N 3.12Å; I403-I406 PolarHBondContact O-N 3.44Å; I406-S408 VanDerWaalsContact C-N 3.34Å; I406-S408 PolarHBondContact O-N 3.39Å; I406-L409 WeakPolarHBondContact O-CB 3.14Å; I406-L409 PolarHBondContact O-N 3.49Å; I406-F410 HydrophobicContact CG2-CD2 3.97Å; I406-F410 HydrophobicContact CG2-CE2 4.32Å; I406-F410 VanDerWaalsContact O-CD2 3.29Å; I406-F410 WeakPolarHBondContact O-CD2 3.35Å; I406-F410 PolarHBondContact O-N 3.48Å |
| 407 | S | 49.1 | Very low | 50.2 | Low | 27 Ų | 27 | 74.9 Ų | 74.9 | 19% | 0.189 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -56.8 | -44.7 | 174.3 | -175.7 | 0 | 0 | 0 | 0 | 111.8 | I403 N404 L409 F410 T411 | I403-S407 WeakPolarHBondContact O-CB 3.37Å; I403-S407 PolarHBondContact O-N 3.05Å; N404-S407 WeakPolarHBondContact O-CB 3.28Å; N404-S407 PolarHBondContact O-N 3.24Å; S407-L409 PolarHBondContact O-N 2.84Å; S407-L409 VanDerWaalsContact O-N 3.16Å; S407-F410 CarbonylContact O-C 3.09Å; S407-F410 PolarHBondContact O-N 2.76Å; S407-F410 VanDerWaalsContact O-N 3.07Å; S407-T411 WeakPolarHBondContact O-CA 3.4Å; S407-T411 WeakPolarHBondContact O-CG2 3.49Å; S407-T411 PolarHBondContact O-N 3.4Å; S407-T411 VanDerWaalsContact O-N 3.07Å |
| 408 | S | 52 | Low | 51.2 | Low | 82 Ų | 82 | 71.5 Ų | 71.5 | 57% | 0.573 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67 | -13.1 | 177 | 64.3 | 0 | 0 | 0 | 0 | 114.7 | N404 M405 I406 | N404-S408 WeakPolarHBondContact O-CB 3.4Å; N404-S408 PolarHBondContact O-N 3.12Å; N404-S408 PolarHBondContact O-OG 3.41Å; M405-S408 WeakPolarHBondContact CA-OG 3.46Å; M405-S408 PolarHBondContact O-OG 2.86Å; I406-S408 VanDerWaalsContact C-N 3.34Å; I406-S408 PolarHBondContact O-N 3.39Å |
| 409 | L | 49.1 | Very low | 51.7 | Low | 77 Ų | 77 | 68.4 Ų | 68.4 | 40% | 0.403 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93 | -13.5 | 173.8 | -71.9 | 168.4 | 0 | 0 | 0 | 113.5 | R378 M405 I406 S407 | R378-L409 PolarHBondContact NH2-O 2.87Å; M405-L409 WeakPolarHBondContact O-CG 3.27Å; M405-L409 PolarHBondContact O-N 2.85Å; I406-L409 WeakPolarHBondContact O-CB 3.14Å; I406-L409 PolarHBondContact O-N 3.49Å; S407-L409 PolarHBondContact O-N 2.84Å; S407-L409 VanDerWaalsContact O-N 3.16Å |
| 410 | F | 53.6 | Low | 52.1 | Low | 40 Ų | 40 | 62.1 Ų | 62.1 | 18% | 0.175 | 33% | 0.333 | C | S | . | . | S | Bend | trans | -147.7 | 38.1 | -168.5 | -56 | -66 | 0 | 0 | 0 | 113.8 | I406 S407 D412 H413 | I406-F410 HydrophobicContact CG2-CD2 3.97Å; I406-F410 HydrophobicContact CG2-CE2 4.32Å; I406-F410 VanDerWaalsContact O-CD2 3.29Å; I406-F410 WeakPolarHBondContact O-CD2 3.35Å; I406-F410 PolarHBondContact O-N 3.48Å; S407-F410 CarbonylContact O-C 3.09Å; S407-F410 PolarHBondContact O-N 2.76Å; S407-F410 VanDerWaalsContact O-N 3.07Å; F410-D412 VanDerWaalsContact C-N 3.28Å; F410-D412 PolarHBondContact O-N 2.91Å; F410-D412 VanDerWaalsContact O-N 3.12Å; F410-H413 PolarHBondContact O-N 3.06Å |
| 411 | T | 52.8 | Low | 52.5 | Low | 66 Ų | 66 | 58.4 Ų | 58.4 | 41% | 0.405 | 31% | 0.314 | S | S | . | . | G | 310 helix | trans | -52.6 | -37.7 | -169.7 | 47 | 0 | 0 | 0 | 0 | 115.3 | S407 V414 | S407-T411 WeakPolarHBondContact O-CA 3.4Å; S407-T411 WeakPolarHBondContact O-CG2 3.49Å; S407-T411 PolarHBondContact O-N 3.4Å; S407-T411 VanDerWaalsContact O-N 3.07Å; T411-V414 WeakPolarHBondContact O-CG2 3.28Å |
| 412 | D | 54 | Low | 52.7 | Low | 86 Ų | 86 | 52.4 Ų | 52.4 | 46% | 0.46 | 29% | 0.286 | S | S | . | . | G | 310 helix | trans | -90.6 | -7.1 | -164.9 | -43.8 | -29.2 | 0 | 0 | 0 | 112.9 | F410 | F410-D412 VanDerWaalsContact C-N 3.28Å; F410-D412 PolarHBondContact O-N 2.91Å; F410-D412 VanDerWaalsContact O-N 3.12Å |
| 413 | H | 58.1 | Low | 52.9 | Low | 92 Ų | 92 | 52.4 Ų | 52.4 | 43% | 0.426 | 29% | 0.285 | S | S | . | . | G | 310 helix | trans | -109.2 | 8.1 | -175.8 | -69.1 | -65.7 | 0 | 0 | 0 | 113.4 | F410 P415 E416 L417 | F410-H413 PolarHBondContact O-N 3.06Å; H413-P415 VanDerWaalsContact C-CD 3.45Å; H413-E416 IonicContact CE1-OE2 3.43Å; H413-E416 IonicContact CG-OE2 3.34Å; H413-E416 IonicContact ND1-OE2 2.71Å; H413-E416 PolarHBondContact ND1-OE2 2.93Å; H413-E416 CarbonylContact O-C 3.57Å; H413-E416 WeakPolarHBondContact O-CA 3.47Å; H413-E416 WeakPolarHBondContact O-CB 3.43Å; H413-E416 PolarHBondContact O-N 2.98Å; H413-L417 PolarHBondContact O-N 3.45Å |
| 414 | V | 58.9 | Low | 52.9 | Low | 27 Ų | 27 | 51.7 Ų | 51.7 | 16% | 0.164 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -50.7 | -43 | -177.5 | 173.7 | 0 | 0 | 0 | 0 | 114.2 | T411 E416 L417 V418 | T411-V414 WeakPolarHBondContact O-CG2 3.28Å; V414-E416 VanDerWaalsContact C-N 3.28Å; V414-E416 PolarHBondContact O-N 3.28Å; V414-L417 PolarHBondContact O-N 2.87Å; V414-V418 WeakPolarHBondContact O-CG2 3.44Å; V414-V418 PolarHBondContact O-N 3.08Å |
| 415 | P | 55.2 | Low | 53 | Low | 4 Ų | 4 | 49 Ų | 49 | 3% | 0.026 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -66 | -29.7 | 176.6 | -17.8 | 29.9 | 0 | 0 | 0 | 113.8 | H413 G419 N461 | H413-P415 VanDerWaalsContact C-CD 3.45Å; P415-G419 PolarHBondContact O-N 3.44Å; P415-N461 VanDerWaalsContact CG-ND2 3.35Å; P415-N461 WeakPolarHBondContact CG-ND2 3.33Å; P415-N461 WeakPolarHBondContact CG-OD1 3.32Å |
| 416 | E | 55.2 | Low | 53.1 | Low | 106 Ų | 106 | 46.7 Ų | 46.7 | 50% | 0.495 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -83 | -29.4 | 179.8 | -65.7 | 165.8 | 168 | 0 | 0 | 110.5 | H413 V414 G419 A420 | H413-E416 IonicContact CE1-OE2 3.43Å; H413-E416 IonicContact CG-OE2 3.34Å; H413-E416 IonicContact ND1-OE2 2.71Å; H413-E416 PolarHBondContact ND1-OE2 2.93Å; H413-E416 CarbonylContact O-C 3.57Å; H413-E416 WeakPolarHBondContact O-CA 3.47Å; H413-E416 WeakPolarHBondContact O-CB 3.43Å; H413-E416 PolarHBondContact O-N 2.98Å; V414-E416 VanDerWaalsContact C-N 3.28Å; V414-E416 PolarHBondContact O-N 3.28Å; E416-G419 CarbonylContact O-C 3.41Å; E416-G419 PolarHBondContact O-N 2.68Å; E416-A420 WeakPolarHBondContact O-CB 3.34Å; E416-A420 PolarHBondContact O-N 2.69Å |
| 417 | L | 55.1 | Low | 52.9 | Low | 43 Ų | 43 | 51.6 Ų | 51.6 | 23% | 0.225 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -69.5 | -42.8 | 169.5 | -140.8 | 163.2 | 0 | 0 | 0 | 110.7 | L390 H413 V414 G419 A420 I421 | L390-L417 HydrophobicContact CD1-CD2 4.39Å; H413-L417 PolarHBondContact O-N 3.45Å; V414-L417 PolarHBondContact O-N 2.87Å; L417-G419 VanDerWaalsContact C-N 3.34Å; L417-A420 PolarHBondContact O-N 3.49Å; L417-I421 HydrophobicContact CD2-CD1 3.92Å; L417-I421 HydrophobicContact CD2-CG1 4.35Å; L417-I421 VanDerWaalsContact O-CG1 3.29Å; L417-I421 WeakPolarHBondContact O-CG1 3.46Å; L417-I421 PolarHBondContact O-N 3.29Å |
| 418 | V | 58.6 | Low | 52.8 | Low | 23 Ų | 23 | 54.2 Ų | 54.2 | 14% | 0.139 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -61.1 | -42.6 | 168.1 | 170.7 | 0 | 0 | 0 | 0 | 110.9 | V414 A420 I421 L422 L465 | V414-V418 WeakPolarHBondContact O-CG2 3.44Å; V414-V418 PolarHBondContact O-N 3.08Å; V418-A420 VanDerWaalsContact C-N 3.34Å; V418-A420 PolarHBondContact O-N 2.72Å; V418-I421 PolarHBondContact O-N 2.66Å; V418-L422 HydrophobicContact CG1-CD1 4.17Å; V418-L422 VanDerWaalsContact O-CG 3.28Å; V418-L422 WeakPolarHBondContact O-CG 3.38Å; V418-L422 PolarHBondContact O-N 3.27Å; V418-L465 HydrophobicContact CG1-CD1 4.39Å |
| 419 | G | 54.2 | Low | 52.4 | Low | 9 Ų | 9 | 57.9 Ų | 57.9 | 9% | 0.093 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -59.4 | -40.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | P415 E416 L417 L422 I423 | P415-G419 PolarHBondContact O-N 3.44Å; E416-G419 CarbonylContact O-C 3.41Å; E416-G419 PolarHBondContact O-N 2.68Å; L417-G419 VanDerWaalsContact C-N 3.34Å; G419-L422 PolarHBondContact O-N 2.82Å; G419-I423 VanDerWaalsContact O-CG1 3.3Å; G419-I423 WeakPolarHBondContact O-CG1 3.27Å; G419-I423 PolarHBondContact O-N 3.41Å |
| 420 | A | 52.2 | Low | 51.7 | Low | 23 Ų | 23 | 59.7 Ų | 59.7 | 19% | 0.19 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -69.5 | -41.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | E416 L417 V418 L422 I423 H424 | E416-A420 WeakPolarHBondContact O-CB 3.34Å; E416-A420 PolarHBondContact O-N 2.69Å; L417-A420 PolarHBondContact O-N 3.49Å; V418-A420 VanDerWaalsContact C-N 3.34Å; V418-A420 PolarHBondContact O-N 2.72Å; A420-L422 VanDerWaalsContact C-N 3.31Å; A420-L422 PolarHBondContact O-N 3.24Å; A420-I423 PolarHBondContact O-N 2.78Å; A420-H424 VanDerWaalsContact O-CB 3.32Å; A420-H424 WeakPolarHBondContact O-CB 3.46Å; A420-H424 PolarHBondContact O-N 2.86Å |
| 421 | I | 53.8 | Low | 51.1 | Low | 42 Ų | 42 | 64.5 Ų | 64.5 | 22% | 0.215 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -57.7 | -45.7 | 172.1 | -70.5 | 161 | 0 | 0 | 0 | 110.2 | L390 L417 V418 H424 S425 I442 | L390-I421 HydrophobicContact CD1-CD1 4.24Å; L390-I421 HydrophobicContact CD1-CG1 3.55Å; L390-I421 HydrophobicContact CD2-CG1 4.5Å; L417-I421 HydrophobicContact CD2-CD1 3.92Å; L417-I421 HydrophobicContact CD2-CG1 4.35Å; L417-I421 VanDerWaalsContact O-CG1 3.29Å; L417-I421 WeakPolarHBondContact O-CG1 3.46Å; L417-I421 PolarHBondContact O-N 3.29Å; V418-I421 PolarHBondContact O-N 2.66Å; I421-H424 PolarHBondContact O-N 3.21Å; I421-S425 WeakPolarHBondContact O-CB 3.38Å; I421-S425 PolarHBondContact O-N 3.45Å; I421-S425 PolarHBondContact O-OG 3.02Å; I421-I442 HydrophobicContact CG2-CD1 4.24Å |
| 422 | L | 53.2 | Low | 50.5 | Low | 11 Ų | 11 | 64.6 Ų | 64.6 | 6% | 0.058 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -59.8 | -50.7 | 176.1 | -72.1 | 168.3 | 0 | 0 | 0 | 111.5 | V418 G419 A420 H424 S425 V426 W439 I442 L469 L472 | V418-L422 HydrophobicContact CG1-CD1 4.17Å; V418-L422 VanDerWaalsContact O-CG 3.28Å; V418-L422 WeakPolarHBondContact O-CG 3.38Å; V418-L422 PolarHBondContact O-N 3.27Å; G419-L422 PolarHBondContact O-N 2.82Å; A420-L422 VanDerWaalsContact C-N 3.31Å; A420-L422 PolarHBondContact O-N 3.24Å; L422-H424 PolarHBondContact O-N 3.06Å; L422-S425 PolarHBondContact O-N 3.4Å; L422-S425 PolarHBondContact O-OG 3.4Å; L422-V426 WeakPolarHBondContact O-CG2 3.42Å; L422-V426 PolarHBondContact O-N 3.44Å; L422-W439 HydrophobicContact CD2-CH2 3.25Å; L422-W439 HydrophobicContact CD2-CZ2 3.43Å; L422-W439 VanDerWaalsContact CD2-CZ2 3.43Å; L422-W439 HydrophobicContact CD2-CZ3 3.91Å; L422-I442 HydrophobicContact CD2-CD1 4.02Å; L422-I442 HydrophobicContact CG-CD1 4.44Å; L422-L469 HydrophobicContact CD1-CD2 3.84Å; L422-L472 HydrophobicContact CB-CD1 3.83Å; L422-L472 HydrophobicContact CD1-CD1 3.92Å; L422-L472 HydrophobicContact CG-CD1 4.48Å |
| 423 | I | 49.7 | Very low | 50 | Low | 71 Ų | 71 | 68 Ų | 68 | 36% | 0.364 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -59.3 | -44.4 | 176.8 | -67.4 | 166 | 0 | 0 | 0 | 111.3 | G419 A420 V426 M427 L472 | G419-I423 VanDerWaalsContact O-CG1 3.3Å; G419-I423 WeakPolarHBondContact O-CG1 3.27Å; G419-I423 PolarHBondContact O-N 3.41Å; A420-I423 PolarHBondContact O-N 2.78Å; I423-V426 PolarHBondContact O-N 3.36Å; I423-M427 HydrophobicContact CG2-CG 4.26Å; I423-M427 HydrophobicContact CG2-SD 4.02Å; I423-M427 WeakPolarHBondContact O-CG 3.16Å; I423-M427 PolarHBondContact O-N 3.02Å; I423-L472 HydrophobicContact CG1-CD2 3.72Å; I423-L472 HydrophobicContact CG1-CG 4.49Å |
| 424 | H | 49.9 | Very low | 49.6 | Very low | 46 Ų | 46 | 66.3 Ų | 66.3 | 21% | 0.213 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -64.2 | -43.6 | -179 | -165.8 | 85.5 | 0 | 0 | 0 | 112.1 | T391 A420 I421 L422 V426 M427 Q428 | T391-H424 VanDerWaalsContact CG2-CE1 3.48Å; T391-H424 WeakPolarHBondContact CG2-CE1 3.36Å; T391-H424 WeakPolarHBondContact CG2-NE2 3.27Å; A420-H424 VanDerWaalsContact O-CB 3.32Å; A420-H424 WeakPolarHBondContact O-CB 3.46Å; A420-H424 PolarHBondContact O-N 2.86Å; I421-H424 PolarHBondContact O-N 3.21Å; L422-H424 PolarHBondContact O-N 3.06Å; H424-V426 PolarHBondContact O-N 3.34Å; H424-M427 PolarHBondContact O-N 2.88Å; H424-Q428 PolarHBondContact NE2-NE2 3.36Å; H424-Q428 VanDerWaalsContact NE2-NE2 3.14Å; H424-Q428 PolarHBondContact O-N 3.38Å |
| 425 | S | 50.6 | Low | 49.1 | Very low | 13 Ų | 13 | 68 Ų | 68 | 9% | 0.091 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -66.2 | -20.3 | 176.7 | 74.6 | 0 | 0 | 0 | 0 | 114.1 | I421 L422 R435 | I421-S425 WeakPolarHBondContact O-CB 3.38Å; I421-S425 PolarHBondContact O-N 3.45Å; I421-S425 PolarHBondContact O-OG 3.02Å; L422-S425 PolarHBondContact O-N 3.4Å; L422-S425 PolarHBondContact O-OG 3.4Å; S425-R435 PolarHBondContact O-NE 3.43Å; S425-R435 PolarHBondContact O-NH2 3.15Å |
| 426 | V | 49.7 | Very low | 48.8 | Very low | 43 Ų | 43 | 72.7 Ų | 72.7 | 26% | 0.261 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -87.6 | -35.7 | 174.2 | 168.1 | 0 | 0 | 0 | 0 | 111.8 | L422 I423 H424 Y476 | L422-V426 WeakPolarHBondContact O-CG2 3.42Å; L422-V426 PolarHBondContact O-N 3.44Å; I423-V426 PolarHBondContact O-N 3.36Å; H424-V426 PolarHBondContact O-N 3.34Å; V426-Y476 HydrophobicContact CG1-CE2 3.99Å; V426-Y476 HydrophobicContact CG2-CE2 4.36Å |
| 427 | M | 45.1 | Very low | 48.4 | Very low | 152 Ų | 152 | 71.1 Ų | 71.1 | 75% | 0.749 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -81.9 | -16.1 | -178.1 | -69.5 | -165.5 | 77.8 | 0 | 0 | 115 | I423 H424 | I423-M427 HydrophobicContact CG2-CG 4.26Å; I423-M427 HydrophobicContact CG2-SD 4.02Å; I423-M427 WeakPolarHBondContact O-CG 3.16Å; I423-M427 PolarHBondContact O-N 3.02Å; H424-M427 PolarHBondContact O-N 2.88Å |
| 428 | Q | 47.7 | Very low | 48.2 | Very low | 83 Ų | 83 | 71.8 Ų | 71.8 | 39% | 0.388 | 38% | 0.383 | S | S | . | . | S | Bend | trans | -96.2 | 120.9 | 169.2 | -66.6 | -162.2 | 7.9 | 0 | 0 | 111.9 | H424 M430 R435 | H424-Q428 PolarHBondContact NE2-NE2 3.36Å; H424-Q428 VanDerWaalsContact NE2-NE2 3.14Å; H424-Q428 PolarHBondContact O-N 3.38Å; Q428-M430 VanDerWaalsContact C-N 3.31Å; Q428-M430 HydrophobicContact CB-CG 4.03Å; Q428-M430 PolarHBondContact O-N 3.26Å; Q428-R435 PolarHBondContact O-NH2 2.86Å |
| 429 | N | 42.9 | Very low | 48.2 | Very low | 158 Ų | 158 | 71.7 Ų | 71.7 | 85% | 0.845 | 38% | 0.38 | S | S | * | . | trans | -78.6 | 77.2 | 172 | -73.7 | -27.2 | 0 | 0 | 0 | 110.3 | ||||
| 430 | M | 34.1 | Very low | 48.3 | Very low | 115 Ų | 115 | 76.3 Ų | 76.3 | 57% | 0.567 | 40% | 0.399 | S | S | * | . | trans | -121 | 145.6 | 178.7 | -61.4 | -70.8 | -80.3 | 0 | 0 | 110.4 | Q428 | Q428-M430 VanDerWaalsContact C-N 3.31Å; Q428-M430 HydrophobicContact CB-CG 4.03Å; Q428-M430 PolarHBondContact O-N 3.26Å | ||
| 431 | D | 41.5 | Very low | 48.3 | Very low | 141 Ų | 141 | 79.3 Ų | 79.3 | 75% | 0.754 | 41% | 0.411 | S | S | * | . | trans | -63.1 | 146.7 | -164.4 | -61 | -58.3 | 0 | 0 | 0 | 115 | N433 S434 | D431-N433 VanDerWaalsContact C-N 3.29Å; D431-N433 PolarHBondContact O-N 3.5Å; D431-N433 VanDerWaalsContact O-N 3.08Å; D431-S434 WeakPolarHBondContact O-CB 3.09Å; D431-S434 PolarHBondContact O-N 3.19Å; D431-S434 PolarHBondContact O-OG 3.04Å | ||
| 432 | D | 40.1 | Very low | 48.3 | Very low | 68 Ų | 68 | 78 Ų | 78 | 36% | 0.364 | 40% | 0.404 | S | S | . | . | G | 310 helix | trans | -58.4 | -32.5 | -162.2 | -55.8 | -72.7 | 0 | 0 | 0 | 115.2 | S434 R435 N491 | D432-S434 PolarHBondContact O-N 2.84Å; D432-S434 VanDerWaalsContact O-N 3.11Å; D432-R435 PolarHBondContact O-N 3.21Å; D432-R435 IonicContact OD1-NH1 3.21Å; D432-N491 PolarHBondContact OD1-ND2 2.97Å; D432-N491 PolarHBondContact OD2-ND2 3.26Å |
| 433 | N | 45.1 | Very low | 48.6 | Very low | 159 Ų | 159 | 78.5 Ų | 78.5 | 85% | 0.85 | 41% | 0.408 | S | S | * | . | G | 310 helix | trans | -62.5 | -19.6 | 179.9 | -72.4 | -29.3 | 0 | 0 | 0 | 113.1 | D431 | D431-N433 VanDerWaalsContact C-N 3.29Å; D431-N433 PolarHBondContact O-N 3.5Å; D431-N433 VanDerWaalsContact O-N 3.08Å |
| 434 | S | 48.9 | Very low | 48.8 | Very low | 55 Ų | 55 | 81.4 Ų | 81.4 | 39% | 0.385 | 42% | 0.42 | S | S | . | . | G | 310 helix | trans | -80.6 | -19.8 | 175.2 | 68.4 | 0 | 0 | 0 | 0 | 114.1 | D431 D432 | D431-S434 WeakPolarHBondContact O-CB 3.09Å; D431-S434 PolarHBondContact O-N 3.19Å; D431-S434 PolarHBondContact O-OG 3.04Å; D432-S434 PolarHBondContact O-N 2.84Å; D432-S434 VanDerWaalsContact O-N 3.11Å |
| 435 | R | 47.5 | Very low | 49 | Very low | 63 Ų | 63 | 81.8 Ų | 81.8 | 24% | 0.238 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -81.3 | -29.8 | -175.6 | -72.8 | 177.3 | 162.6 | 143 | -2 | 113.3 | S425 Q428 D432 Q438 W439 | S425-R435 PolarHBondContact O-NE 3.43Å; S425-R435 PolarHBondContact O-NH2 3.15Å; Q428-R435 PolarHBondContact O-NH2 2.86Å; D432-R435 PolarHBondContact O-N 3.21Å; D432-R435 IonicContact OD1-NH1 3.21Å; R435-Q438 PolarHBondContact O-N 3.48Å; R435-Q438 VanDerWaalsContact O-N 3.14Å; R435-W439 PolarHBondContact O-N 3.41Å |
| 436 | L | 48.9 | Very low | 49.2 | Very low | 103 Ų | 103 | 83.2 Ų | 83.2 | 54% | 0.539 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -55.3 | -47.5 | -174.6 | -127.8 | 81.3 | 0 | 0 | 0 | 113.6 | Q438 W439 H440 | L436-Q438 VanDerWaalsContact C-N 3.33Å; L436-Q438 PolarHBondContact O-N 3.07Å; L436-W439 PolarHBondContact O-N 2.72Å; L436-H440 WeakPolarHBondContact O-CB 3.28Å; L436-H440 PolarHBondContact O-N 2.94Å |
| 437 | P | 48.7 | Very low | 49 | Very low | 73 Ų | 73 | 83.6 Ų | 83.6 | 47% | 0.474 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -62.2 | -36.1 | 178.2 | -24.4 | 35.6 | 0 | 0 | 0 | 113.5 | H440 I441 | P437-H440 PolarHBondContact O-N 3.22Å; P437-I441 VanDerWaalsContact O-CG1 3.28Å; P437-I441 WeakPolarHBondContact O-CG1 3.07Å; P437-I441 PolarHBondContact O-N 3.4Å |
| 438 | Q | 50.3 | Low | 49 | Very low | 57 Ų | 57 | 77.8 Ų | 77.8 | 27% | 0.266 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -66.6 | -42.6 | 179.6 | -63.4 | 179.5 | -17.2 | 0 | 0 | 111.3 | Y394 R435 L436 I441 I442 | Y394-Q438 PolarHBondContact OH-NE2 2.83Å; R435-Q438 PolarHBondContact O-N 3.48Å; R435-Q438 VanDerWaalsContact O-N 3.14Å; L436-Q438 VanDerWaalsContact C-N 3.33Å; L436-Q438 PolarHBondContact O-N 3.07Å; Q438-I441 PolarHBondContact O-N 3.3Å; Q438-I442 WeakPolarHBondContact O-CG1 3.28Å; Q438-I442 PolarHBondContact O-N 3.45Å |
| 439 | W | 58.2 | Low | 49.1 | Very low | 21 Ų | 21 | 76.4 Ų | 76.4 | 8% | 0.08 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -72.6 | -27.2 | 173.9 | -73.7 | 88.7 | 0 | 0 | 0 | 113 | L422 R435 L436 T443 L495 F498 | L422-W439 HydrophobicContact CD2-CH2 3.25Å; L422-W439 HydrophobicContact CD2-CZ2 3.43Å; L422-W439 VanDerWaalsContact CD2-CZ2 3.43Å; L422-W439 HydrophobicContact CD2-CZ3 3.91Å; R435-W439 PolarHBondContact O-N 3.41Å; L436-W439 PolarHBondContact O-N 2.72Å; W439-T443 PolarHBondContact O-N 2.87Å; W439-T443 PolarHBondContact O-OG1 3.44Å; W439-L495 HydrophobicContact CH2-CD2 4.07Å; W439-L495 HydrophobicContact CH2-CG 4.1Å; W439-L495 HydrophobicContact CZ2-CD2 3.64Å; W439-L495 HydrophobicContact CZ2-CG 3.71Å; W439-F498 HydrophobicContact CE3-CB 4.22Å |
| 440 | H | 55.4 | Low | 49.5 | Very low | 105 Ų | 105 | 78 Ų | 78 | 49% | 0.486 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -67.7 | -43.3 | 169.4 | -119.7 | -58.6 | 0 | 0 | 0 | 112 | L436 P437 I442 T443 E444 | L436-H440 WeakPolarHBondContact O-CB 3.28Å; L436-H440 PolarHBondContact O-N 2.94Å; P437-H440 PolarHBondContact O-N 3.22Å; H440-I442 VanDerWaalsContact C-N 3.34Å; H440-I442 PolarHBondContact O-N 3.47Å; H440-T443 WeakPolarHBondContact CA-OG1 3.04Å; H440-T443 PolarHBondContact O-N 2.68Å; H440-T443 PolarHBondContact O-OG1 3.01Å; H440-T443 VanDerWaalsContact O-OG1 3.07Å; H440-E444 PolarHBondContact O-N 3.41Å |
| 441 | I | 53.4 | Low | 50.2 | Low | 86 Ų | 86 | 78.3 Ų | 78.3 | 44% | 0.441 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -61.6 | -41 | 173.6 | -70.5 | 162.3 | 0 | 0 | 0 | 110.7 | P437 Q438 E444 L445 | P437-I441 VanDerWaalsContact O-CG1 3.28Å; P437-I441 WeakPolarHBondContact O-CG1 3.07Å; P437-I441 PolarHBondContact O-N 3.4Å; Q438-I441 PolarHBondContact O-N 3.3Å; I441-E444 PolarHBondContact O-N 3.23Å; I441-L445 HydrophobicContact CG2-CD1 3.85Å; I441-L445 HydrophobicContact CG2-CG 4.32Å; I441-L445 WeakPolarHBondContact O-CB 3.25Å; I441-L445 VanDerWaalsContact O-CG 3.22Å; I441-L445 WeakPolarHBondContact O-CG 3.47Å; I441-L445 PolarHBondContact O-N 2.88Å |
| 442 | I | 54.4 | Low | 50.7 | Low | 15 Ų | 15 | 72.3 Ų | 72.3 | 8% | 0.077 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -64.4 | -40.5 | 175.1 | -69.1 | 166.1 | 0 | 0 | 0 | 111.6 | I421 L422 Q438 H440 L445 C446 | I421-I442 HydrophobicContact CG2-CD1 4.24Å; L422-I442 HydrophobicContact CD2-CD1 4.02Å; L422-I442 HydrophobicContact CG-CD1 4.44Å; Q438-I442 WeakPolarHBondContact O-CG1 3.28Å; Q438-I442 PolarHBondContact O-N 3.45Å; H440-I442 VanDerWaalsContact C-N 3.34Å; H440-I442 PolarHBondContact O-N 3.47Å; I442-L445 PolarHBondContact O-N 3.39Å; I442-C446 PolarHBondContact O-N 3.09Å; I442-C446 VanDerWaalsContact O-N 3.09Å; I442-C446 PolarHBondContact O-SG 3.04Å |
| 443 | T | 57.9 | Low | 51.5 | Low | 21 Ų | 21 | 72.8 Ų | 72.8 | 13% | 0.129 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -75.2 | -24.6 | 177.7 | 45.6 | 0 | 0 | 0 | 0 | 113.9 | W439 H440 F498 | W439-T443 PolarHBondContact O-N 2.87Å; W439-T443 PolarHBondContact O-OG1 3.44Å; H440-T443 WeakPolarHBondContact CA-OG1 3.04Å; H440-T443 PolarHBondContact O-N 2.68Å; H440-T443 PolarHBondContact O-OG1 3.01Å; H440-T443 VanDerWaalsContact O-OG1 3.07Å; T443-F498 HydrophobicContact CG2-CD1 4.4Å |
| 444 | E | 55.3 | Low | 52 | Low | 133 Ų | 133 | 66 Ų | 66 | 62% | 0.621 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -78.6 | -36.7 | 168 | -74.1 | -160.6 | 142.3 | 0 | 0 | 112.7 | H440 I441 C446 G447 G448 | H440-E444 PolarHBondContact O-N 3.41Å; I441-E444 PolarHBondContact O-N 3.23Å; E444-C446 PolarHBondContact O-N 3.43Å; E444-G447 CarbonylContact O-C 3.32Å; E444-G447 WeakPolarHBondContact O-CA 3.09Å; E444-G447 PolarHBondContact O-N 3.15Å; E444-G448 WeakPolarHBondContact O-CA 3.41Å; E444-G448 PolarHBondContact O-N 2.88Å |
| 445 | L | 53.8 | Low | 52.3 | Low | 53 Ų | 53 | 64.4 Ų | 64.4 | 28% | 0.277 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -61.2 | -34.7 | 171.9 | -76.9 | 167.3 | 0 | 0 | 0 | 111.5 | I441 I442 G447 T452 | I441-L445 HydrophobicContact CG2-CD1 3.85Å; I441-L445 HydrophobicContact CG2-CG 4.32Å; I441-L445 WeakPolarHBondContact O-CB 3.25Å; I441-L445 VanDerWaalsContact O-CG 3.22Å; I441-L445 WeakPolarHBondContact O-CG 3.47Å; I441-L445 PolarHBondContact O-N 2.88Å; I442-L445 PolarHBondContact O-N 3.39Å; L445-G447 PolarHBondContact O-N 3.34Å; L445-T452 HydrophobicContact CD2-CG2 3.93Å |
| 446 | C | 53.6 | Low | 52.7 | Low | 44 Ų | 44 | 62.7 Ų | 62.7 | 30% | 0.297 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | 4.1 | 170.9 | -62.3 | 0 | 0 | 0 | 0 | 114.4 | I442 E444 | I442-C446 PolarHBondContact O-N 3.09Å; I442-C446 VanDerWaalsContact O-N 3.09Å; I442-C446 PolarHBondContact O-SG 3.04Å; E444-C446 PolarHBondContact O-N 3.43Å |
| 447 | G | 46.3 | Very low | 53.1 | Low | 51 Ų | 51 | 61 Ų | 61 | 53% | 0.526 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -148.3 | 7.7 | -174 | 0 | 0 | 0 | 0 | 0 | 116.4 | E444 L445 | E444-G447 CarbonylContact O-C 3.32Å; E444-G447 WeakPolarHBondContact O-CA 3.09Å; E444-G447 PolarHBondContact O-N 3.15Å; L445-G447 PolarHBondContact O-N 3.34Å |
| 448 | G | 45.5 | Very low | 53.6 | Low | 30 Ų | 30 | 58.1 Ų | 58.1 | 31% | 0.309 | 31% | 0.314 | S | S | . | . | trans | -155.9 | 158.1 | -168.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | E444 T452 | E444-G448 WeakPolarHBondContact O-CA 3.41Å; E444-G448 PolarHBondContact O-N 2.88Å; G448-T452 PolarHBondContact O-OG1 2.92Å | ||
| 449 | S | 48.7 | Very low | 53.8 | Low | 53 Ų | 53 | 56.5 Ų | 56.5 | 37% | 0.371 | 31% | 0.311 | S | S | . | . | trans | 62.6 | 132.6 | -166.9 | 135.2 | 0 | 0 | 0 | 0 | 114.6 | L451 T452 H453 | S449-L451 VanDerWaalsContact C-N 3.27Å; S449-L451 PolarHBondContact O-N 3.21Å; S449-L451 PolarHBondContact OG-N 2.89Å; S449-T452 VanDerWaalsContact CB-OG1 3.24Å; S449-T452 WeakPolarHBondContact CB-OG1 3.15Å; S449-T452 PolarHBondContact O-N 3.42Å; S449-T452 PolarHBondContact O-OG1 3.46Å; S449-T452 PolarHBondContact OG-N 3.21Å; S449-T452 PolarHBondContact OG-OG1 3.45Å; S449-H453 WeakPolarHBondContact O-CB 3.49Å; S449-H453 PolarHBondContact O-N 2.95Å | ||
| 450 | K | 52.5 | Low | 53.8 | Low | 193 Ų | 193 | 55.5 Ų | 55.5 | 84% | 0.839 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -64.8 | -25.8 | -179 | -85.7 | -168 | 173.4 | -172 | 0 | 113.9 | S454 | K450-S454 WeakPolarHBondContact O-CB 3.41Å; K450-S454 PolarHBondContact O-N 3.48Å |
| 451 | L | 48.8 | Very low | 54.1 | Low | 120 Ų | 120 | 50.5 Ų | 50.5 | 63% | 0.628 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -78.3 | -39.6 | -179.5 | -127.2 | 78.8 | 0 | 0 | 0 | 111.9 | S449 S454 T455 | S449-L451 VanDerWaalsContact C-N 3.27Å; S449-L451 PolarHBondContact O-N 3.21Å; S449-L451 PolarHBondContact OG-N 2.89Å; L451-S454 PolarHBondContact O-N 3.29Å; L451-S454 PolarHBondContact O-OG 3.12Å; L451-T455 PolarHBondContact O-N 2.97Å; L451-T455 PolarHBondContact O-OG1 3.49Å |
| 452 | T | 51.2 | Low | 54.5 | Low | 16 Ų | 16 | 47.8 Ų | 47.8 | 10% | 0.098 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -78 | -36.9 | 176.4 | 31.5 | 0 | 0 | 0 | 0 | 111.9 | L445 G448 S449 S454 T455 L456 | L445-T452 HydrophobicContact CD2-CG2 3.93Å; G448-T452 PolarHBondContact O-OG1 2.92Å; S449-T452 VanDerWaalsContact CB-OG1 3.24Å; S449-T452 WeakPolarHBondContact CB-OG1 3.15Å; S449-T452 PolarHBondContact O-N 3.42Å; S449-T452 PolarHBondContact O-OG1 3.46Å; S449-T452 PolarHBondContact OG-N 3.21Å; S449-T452 PolarHBondContact OG-OG1 3.45Å; T452-S454 VanDerWaalsContact C-N 3.26Å; T452-S454 PolarHBondContact O-N 3.38Å; T452-T455 WeakPolarHBondContact CA-OG1 3.24Å; T452-T455 PolarHBondContact O-N 3.33Å; T452-T455 PolarHBondContact O-OG1 3.12Å; T452-L456 WeakPolarHBondContact O-CB 3.46Å; T452-L456 PolarHBondContact O-N 2.91Å |
| 453 | H | 56.4 | Low | 54.9 | Low | 78 Ų | 78 | 48.3 Ų | 48.3 | 36% | 0.361 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -66.5 | -28.6 | 170.3 | -162.1 | -41.3 | 0 | 0 | 0 | 111.9 | S449 L457 | S449-H453 WeakPolarHBondContact O-CB 3.49Å; S449-H453 PolarHBondContact O-N 2.95Å; H453-L457 WeakPolarHBondContact ND1-CD1 3.39Å; H453-L457 WeakPolarHBondContact O-CB 3.42Å; H453-L457 WeakPolarHBondContact O-CG 3.16Å; H453-L457 PolarHBondContact O-N 2.71Å |
| 454 | S | 56.8 | Low | 54.9 | Low | 16 Ų | 16 | 49 Ų | 49 | 11% | 0.112 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -68.9 | -56.1 | 166.9 | 79.3 | 0 | 0 | 0 | 0 | 110.7 | K450 L451 T452 L456 L457 K458 S1381 N1382 | K450-S454 WeakPolarHBondContact O-CB 3.41Å; K450-S454 PolarHBondContact O-N 3.48Å; L451-S454 PolarHBondContact O-N 3.29Å; L451-S454 PolarHBondContact O-OG 3.12Å; T452-S454 VanDerWaalsContact C-N 3.26Å; T452-S454 PolarHBondContact O-N 3.38Å; S454-L456 PolarHBondContact O-N 3.35Å; S454-L456 VanDerWaalsContact O-N 3.1Å; S454-L457 PolarHBondContact O-N 2.98Å; S454-K458 VanDerWaalsContact C-CE 3.41Å; S454-K458 WeakPolarHBondContact O-CD 3.33Å; S454-K458 WeakPolarHBondContact O-CE 3.48Å; S454-K458 WeakPolarHBondContact O-CG 3.49Å; S454-S1381 VanDerWaalsContact O-O 3.13Å; S454-N1382 WeakPolarHBondContact CA-ND2 3.3Å; S454-N1382 VanDerWaalsContact CB-CB 3.46Å; S454-N1382 VanDerWaalsContact CB-CG 3.49Å; S454-N1382 VanDerWaalsContact CB-ND2 3.34Å; S454-N1382 WeakPolarHBondContact CB-ND2 3.37Å |
| 455 | T | 55.4 | Low | 55.3 | Low | 21 Ų | 21 | 43.6 Ų | 43.6 | 13% | 0.129 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -60 | -22.7 | -176.8 | 52 | 0 | 0 | 0 | 0 | 114.7 | L451 T452 K458 N461 | L451-T455 PolarHBondContact O-N 2.97Å; L451-T455 PolarHBondContact O-OG1 3.49Å; T452-T455 WeakPolarHBondContact CA-OG1 3.24Å; T452-T455 PolarHBondContact O-N 3.33Å; T452-T455 PolarHBondContact O-OG1 3.12Å; T455-K458 VanDerWaalsContact CA-CE 3.46Å; T455-N461 WeakPolarHBondContact O-CB 3.49Å; T455-N461 PolarHBondContact O-ND2 3.27Å |
| 456 | L | 56.1 | Low | 55.7 | Low | 27 Ų | 27 | 43.4 Ų | 43.4 | 14% | 0.141 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -95.5 | -23.4 | 176.9 | -70.6 | 171.4 | 0 | 0 | 0 | 115.9 | T452 S454 K458 I462 | T452-L456 WeakPolarHBondContact O-CB 3.46Å; T452-L456 PolarHBondContact O-N 2.91Å; S454-L456 PolarHBondContact O-N 3.35Å; S454-L456 VanDerWaalsContact O-N 3.1Å; L456-K458 PolarHBondContact O-N 3.41Å; L456-I462 WeakPolarHBondContact O-CG1 3.33Å |
| 457 | L | 56.5 | Low | 56.1 | Low | 67 Ų | 67 | 44 Ų | 44 | 35% | 0.351 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -64.6 | -25.4 | 174.8 | -94.7 | 173.4 | 0 | 0 | 0 | 112.9 | H453 S454 A459 | H453-L457 WeakPolarHBondContact ND1-CD1 3.39Å; H453-L457 WeakPolarHBondContact O-CB 3.42Å; H453-L457 WeakPolarHBondContact O-CG 3.16Å; H453-L457 PolarHBondContact O-N 2.71Å; S454-L457 PolarHBondContact O-N 2.98Å; L457-A459 PolarHBondContact O-N 3.21Å; L457-A459 VanDerWaalsContact O-N 3.14Å |
| 458 | K | 58.4 | Low | 56.6 | Low | 13 Ų | 13 | 43.2 Ų | 43.2 | 6% | 0.057 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -66.2 | 109.5 | -172.5 | -26.3 | -173.7 | 161.6 | 167.2 | 0 | 109.4 | S454 T455 L456 T460 N461 I462 N1378 D1379 S1381 | S454-K458 VanDerWaalsContact C-CE 3.41Å; S454-K458 WeakPolarHBondContact O-CD 3.33Å; S454-K458 WeakPolarHBondContact O-CE 3.48Å; S454-K458 WeakPolarHBondContact O-CG 3.49Å; T455-K458 VanDerWaalsContact CA-CE 3.46Å; L456-K458 PolarHBondContact O-N 3.41Å; K458-T460 PolarHBondContact O-N 3.06Å; K458-N461 HydrophobicContact CB-CB 4.49Å; K458-N461 WeakPolarHBondContact O-CA 3.46Å; K458-N461 VanDerWaalsContact O-CB 3.3Å; K458-N461 WeakPolarHBondContact O-CB 3.42Å; K458-N461 PolarHBondContact O-N 3.2Å; K458-I462 PolarHBondContact O-N 3.1Å; K458-N1378 HydrophobicContact CB-CB 3.48Å; K458-N1378 VanDerWaalsContact CB-CB 3.48Å; K458-N1378 VanDerWaalsContact CB-ND2 3.29Å; K458-N1378 WeakPolarHBondContact CB-ND2 3.33Å; K458-N1378 HydrophobicContact CD-CB 4.39Å; K458-D1379 VanDerWaalsContact CD-C 3.43Å; K458-D1379 VanDerWaalsContact CD-CA 3.41Å; K458-D1379 HydrophobicContact CD-CB 3.56Å; K458-D1379 WeakPolarHBondContact CD-OD1 3.06Å; K458-D1379 VanDerWaalsContact NZ-C 3.29Å; K458-D1379 PolarHBondContact NZ-O 2.84Å; K458-S1381 VanDerWaalsContact CA-OG 3.24Å; K458-S1381 WeakPolarHBondContact CA-OG 3.41Å; K458-S1381 WeakPolarHBondContact CB-OG 3.35Å; K458-S1381 WeakPolarHBondContact CE-O 3.27Å; K458-S1381 WeakPolarHBondContact CG-OG 3.46Å; K458-S1381 PolarHBondContact N-OG 2.93Å |
| 459 | A | 55.1 | Low | 57.2 | Low | 24 Ų | 24 | 43.5 Ų | 43.5 | 20% | 0.198 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -56.7 | -29.8 | -163.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | L457 I462 C463 | L457-A459 PolarHBondContact O-N 3.21Å; L457-A459 VanDerWaalsContact O-N 3.14Å; A459-I462 WeakPolarHBondContact O-CB 3.49Å; A459-I462 PolarHBondContact O-N 2.94Å; A459-C463 PolarHBondContact O-N 2.96Å; A459-C463 VanDerWaalsContact O-N 3.12Å; A459-C463 PolarHBondContact O-SG 3.38Å; A459-C463 VanDerWaalsContact O-SG 3.41Å |
| 460 | T | 57.8 | Low | 57.5 | Low | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -70 | -29.8 | 173.4 | 5.8 | 0 | 0 | 0 | 0 | 112.1 | K458 C463 K464 H526 H527 K1376 L1377 N1378 | K458-T460 PolarHBondContact O-N 3.06Å; T460-C463 PolarHBondContact O-N 3.17Å; T460-K464 PolarHBondContact O-N 3.23Å; T460-H526 HydrophobicContact CG2-CB 4.04Å; T460-H527 WeakPolarHBondContact CG2-ND1 3.38Å; T460-H527 PolarHBondContact OG1-CE1 2.67Å; T460-H527 PolarHBondContact OG1-ND1 2.89Å; T460-H527 VanDerWaalsContact OG1-ND1 3.09Å; T460-K1376 HydrophobicContact CG2-CB 3.5Å; T460-K1376 HydrophobicContact CG2-CD 3.54Å; T460-K1376 VanDerWaalsContact CG2-CE 3.48Å; T460-K1376 HydrophobicContact CG2-CG 3.32Å; T460-K1376 WeakPolarHBondContact O-CD 3.28Å; T460-L1377 VanDerWaalsContact CB-O 3.29Å; T460-L1377 WeakPolarHBondContact CB-O 3.4Å; T460-L1377 VanDerWaalsContact CG2-O 3.25Å; T460-L1377 WeakPolarHBondContact CG2-O 3.28Å; T460-L1377 VanDerWaalsContact OG1-C 3.25Å; T460-L1377 PolarHBondContact OG1-O 2.72Å; T460-N1378 VanDerWaalsContact CB-N 3.3Å; T460-N1378 WeakPolarHBondContact OG1-CB 3.29Å; T460-N1378 PolarHBondContact OG1-N 3.37Å; T460-N1378 PolarHBondContact OG1-ND2 3.48Å |
| 461 | N | 62.4 | Low | 57.6 | Low | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -74.4 | -38.8 | 170.7 | -123.9 | 24.8 | 0 | 0 | 0 | 112.4 | P415 T455 K458 C463 K464 L465 D1379 | P415-N461 VanDerWaalsContact CG-ND2 3.35Å; P415-N461 WeakPolarHBondContact CG-ND2 3.33Å; P415-N461 WeakPolarHBondContact CG-OD1 3.32Å; T455-N461 WeakPolarHBondContact O-CB 3.49Å; T455-N461 PolarHBondContact O-ND2 3.27Å; K458-N461 HydrophobicContact CB-CB 4.49Å; K458-N461 WeakPolarHBondContact O-CA 3.46Å; K458-N461 VanDerWaalsContact O-CB 3.3Å; K458-N461 WeakPolarHBondContact O-CB 3.42Å; K458-N461 PolarHBondContact O-N 3.2Å; N461-C463 PolarHBondContact O-N 3.41Å; N461-K464 PolarHBondContact O-N 3.41Å; N461-K464 VanDerWaalsContact O-N 3.09Å; N461-K464 VanDerWaalsContact OD1-CD 3.22Å; N461-K464 WeakPolarHBondContact OD1-CD 3.4Å; N461-L465 WeakPolarHBondContact O-CB 3.48Å; N461-L465 PolarHBondContact O-N 3.33Å; N461-D1379 VanDerWaalsContact CB-OD1 3.25Å; N461-D1379 WeakPolarHBondContact CB-OD1 3.32Å; N461-D1379 VanDerWaalsContact CG-CG 3.44Å; N461-D1379 VanDerWaalsContact CG-OD2 3.31Å; N461-D1379 PolarHBondContact ND2-OD1 3.1Å; N461-D1379 PolarHBondContact ND2-OD2 2.96Å; N461-D1379 PolarHBondContact OD1-OD1 2.91Å |
| 462 | I | 62.4 | Low | 57.7 | Low | 28 Ų | 28 | 37 Ų | 37 | 14% | 0.144 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -52.5 | -45.2 | 169.2 | -57.5 | -179.8 | 0 | 0 | 0 | 109.7 | L456 K458 A459 L465 I466 | L456-I462 WeakPolarHBondContact O-CG1 3.33Å; K458-I462 PolarHBondContact O-N 3.1Å; A459-I462 WeakPolarHBondContact O-CB 3.49Å; A459-I462 PolarHBondContact O-N 2.94Å; I462-L465 WeakPolarHBondContact O-CB 3.41Å; I462-L465 PolarHBondContact O-N 3.04Å; I462-I466 HydrophobicContact CG2-CD1 4.17Å; I462-I466 VanDerWaalsContact O-CG1 3.29Å; I462-I466 WeakPolarHBondContact O-CG1 3.37Å; I462-I466 PolarHBondContact O-N 3.18Å |
| 463 | C | 60.9 | Low | 57.3 | Low | 26 Ų | 26 | 39 Ų | 39 | 18% | 0.176 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -71.6 | -34.5 | 175.4 | -64.1 | 0 | 0 | 0 | 0 | 115.3 | A459 T460 N461 L465 I466 H467 K1376 | A459-C463 PolarHBondContact O-N 2.96Å; A459-C463 VanDerWaalsContact O-N 3.12Å; A459-C463 PolarHBondContact O-SG 3.38Å; A459-C463 VanDerWaalsContact O-SG 3.41Å; T460-C463 PolarHBondContact O-N 3.17Å; N461-C463 PolarHBondContact O-N 3.41Å; C463-L465 VanDerWaalsContact C-N 3.3Å; C463-I466 PolarHBondContact O-N 2.87Å; C463-H467 WeakPolarHBondContact O-CB 3.28Å; C463-H467 PolarHBondContact O-N 2.85Å; C463-K1376 HydrophobicContact CB-CD 3.51Å; C463-K1376 PolarHBondContact SG-NZ 2.95Å |
| 464 | K | 58.7 | Low | 56.8 | Low | 35 Ų | 35 | 40.4 Ų | 40.4 | 15% | 0.152 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -60.1 | -44.4 | 172 | -79.2 | 168.5 | 174.8 | 173.9 | 0 | 110 | T460 N461 H467 C468 Y530 K1376 N1378 | T460-K464 PolarHBondContact O-N 3.23Å; N461-K464 PolarHBondContact O-N 3.41Å; N461-K464 VanDerWaalsContact O-N 3.09Å; N461-K464 VanDerWaalsContact OD1-CD 3.22Å; N461-K464 WeakPolarHBondContact OD1-CD 3.4Å; K464-H467 PolarHBondContact O-N 3.23Å; K464-C468 PolarHBondContact O-N 3.14Å; K464-C468 PolarHBondContact O-SG 3.05Å; K464-C468 VanDerWaalsContact O-SG 3.38Å; K464-Y530 HydrophobicContact CG-CE1 3.8Å; K464-K1376 WeakPolarHBondContact CE-O 3.38Å; K464-K1376 HydrophobicContact CG-CB 4.28Å; K464-K1376 PolarHBondContact NZ-O 2.59Å; K464-N1378 PolarHBondContact NZ-O 3.45Å |
| 465 | L | 63.3 | Low | 56.1 | Low | 20 Ų | 20 | 45.6 Ų | 45.6 | 11% | 0.105 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -59.1 | -51 | 176.1 | -162.5 | 79.2 | 0 | 0 | 0 | 111.1 | V418 N461 I462 C463 H467 C468 L469 | V418-L465 HydrophobicContact CG1-CD1 4.39Å; N461-L465 WeakPolarHBondContact O-CB 3.48Å; N461-L465 PolarHBondContact O-N 3.33Å; I462-L465 WeakPolarHBondContact O-CB 3.41Å; I462-L465 PolarHBondContact O-N 3.04Å; C463-L465 VanDerWaalsContact C-N 3.3Å; L465-H467 VanDerWaalsContact C-N 3.3Å; L465-H467 PolarHBondContact O-N 3.42Å; L465-C468 PolarHBondContact O-N 3.39Å; L465-L469 HydrophobicContact CG-CD1 4.29Å; L465-L469 VanDerWaalsContact O-CG 3.28Å; L465-L469 WeakPolarHBondContact O-CG 3.39Å; L465-L469 PolarHBondContact O-N 2.75Å |
| 466 | I | 62.5 | Low | 55.4 | Low | 50 Ų | 50 | 50 Ų | 50 | 26% | 0.256 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -56 | -43.3 | 175.8 | -68.7 | 170 | 0 | 0 | 0 | 111.5 | I462 C463 L469 L470 L503 L534 | I462-I466 HydrophobicContact CG2-CD1 4.17Å; I462-I466 VanDerWaalsContact O-CG1 3.29Å; I462-I466 WeakPolarHBondContact O-CG1 3.37Å; I462-I466 PolarHBondContact O-N 3.18Å; C463-I466 PolarHBondContact O-N 2.87Å; I466-L469 PolarHBondContact O-N 2.9Å; I466-L470 HydrophobicContact CG2-CD1 3.91Å; I466-L470 WeakPolarHBondContact O-CB 3.41Å; I466-L470 VanDerWaalsContact O-CG 3.31Å; I466-L470 WeakPolarHBondContact O-CG 3.47Å; I466-L470 PolarHBondContact O-N 3.1Å; I466-L503 HydrophobicContact CG1-CD2 4.36Å; I466-L534 HydrophobicContact CG2-CD1 4.07Å |
| 467 | H | 62.4 | Low | 54.6 | Low | 57 Ų | 57 | 53.5 Ų | 53.5 | 26% | 0.264 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -65.6 | -41.5 | 178.5 | -176.2 | 82.5 | 0 | 0 | 0 | 112.9 | C463 K464 L465 L470 K471 Y530 | C463-H467 WeakPolarHBondContact O-CB 3.28Å; C463-H467 PolarHBondContact O-N 2.85Å; K464-H467 PolarHBondContact O-N 3.23Å; L465-H467 VanDerWaalsContact C-N 3.3Å; L465-H467 PolarHBondContact O-N 3.42Å; H467-L470 PolarHBondContact O-N 3.45Å; H467-K471 VanDerWaalsContact NE2-CE 3.26Å; H467-K471 WeakPolarHBondContact NE2-CE 3.22Å; H467-K471 PolarHBondContact NE2-NZ 3.15Å; H467-K471 PolarHBondContact O-N 3.37Å; H467-Y530 HydrophobicContact CB-CD1 4.02Å |
| 468 | C | 56.3 | Low | 53.4 | Low | 34 Ų | 34 | 57.3 Ų | 57.3 | 23% | 0.23 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -65.1 | -41.2 | 175 | -70.4 | 0 | 0 | 0 | 0 | 112.2 | K464 L465 K471 L472 | K464-C468 PolarHBondContact O-N 3.14Å; K464-C468 PolarHBondContact O-SG 3.05Å; K464-C468 VanDerWaalsContact O-SG 3.38Å; L465-C468 PolarHBondContact O-N 3.39Å; C468-K471 PolarHBondContact O-N 2.7Å; C468-L472 PolarHBondContact O-N 3.2Å |
| 469 | L | 59.5 | Low | 52.1 | Low | 36 Ų | 36 | 62 Ų | 62 | 19% | 0.188 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -65.7 | -36.8 | 176.4 | -67.8 | 175.9 | 0 | 0 | 0 | 112.5 | L422 L465 I466 L472 L499 | L422-L469 HydrophobicContact CD1-CD2 3.84Å; L465-L469 HydrophobicContact CG-CD1 4.29Å; L465-L469 VanDerWaalsContact O-CG 3.28Å; L465-L469 WeakPolarHBondContact O-CG 3.39Å; L465-L469 PolarHBondContact O-N 2.75Å; I466-L469 PolarHBondContact O-N 2.9Å; L469-L472 HydrophobicContact CD2-CD1 4.24Å; L469-L499 HydrophobicContact CD1-CD1 3.92Å; L469-L499 HydrophobicContact CD1-CG 4.39Å; L469-L499 HydrophobicContact CD2-CD1 3.76Å; L469-L499 HydrophobicContact CG-CD1 4.37Å |
| 470 | L | 55 | Low | 50.8 | Low | 76 Ų | 76 | 69 Ų | 69 | 40% | 0.398 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -69.7 | -35.3 | 173.3 | -71.7 | 169.1 | 0 | 0 | 0 | 112.5 | I466 H467 R473 L534 | I466-L470 HydrophobicContact CG2-CD1 3.91Å; I466-L470 WeakPolarHBondContact O-CB 3.41Å; I466-L470 VanDerWaalsContact O-CG 3.31Å; I466-L470 WeakPolarHBondContact O-CG 3.47Å; I466-L470 PolarHBondContact O-N 3.1Å; H467-L470 PolarHBondContact O-N 3.45Å; L470-R473 WeakPolarHBondContact O-CB 3.4Å; L470-R473 PolarHBondContact O-N 3.13Å; L470-L534 HydrophobicContact CD1-CD1 3.65Å; L470-L534 HydrophobicContact CD1-CG 4.37Å |
| 471 | K | 52.7 | Low | 49.4 | Very low | 126 Ų | 126 | 78 Ų | 78 | 55% | 0.548 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -66.4 | -37.9 | 173.9 | -86.8 | 176.7 | 168.3 | 165.4 | 0 | 113.2 | H467 C468 R473 V474 | H467-K471 VanDerWaalsContact NE2-CE 3.26Å; H467-K471 WeakPolarHBondContact NE2-CE 3.22Å; H467-K471 PolarHBondContact NE2-NZ 3.15Å; H467-K471 PolarHBondContact O-N 3.37Å; C468-K471 PolarHBondContact O-N 2.7Å; K471-R473 PolarHBondContact O-N 3.21Å; K471-V474 WeakPolarHBondContact O-CB 3.48Å; K471-V474 PolarHBondContact O-N 3.2Å |
| 472 | L | 51.7 | Low | 47.7 | Very low | 28 Ų | 28 | 83.6 Ų | 83.6 | 15% | 0.147 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -55.6 | -31.5 | 176.2 | -93.5 | 160.4 | 0 | 0 | 0 | 112.9 | L422 I423 C468 L469 V474 L475 | L422-L472 HydrophobicContact CB-CD1 3.83Å; L422-L472 HydrophobicContact CD1-CD1 3.92Å; L422-L472 HydrophobicContact CG-CD1 4.48Å; I423-L472 HydrophobicContact CG1-CD2 3.72Å; I423-L472 HydrophobicContact CG1-CG 4.49Å; C468-L472 PolarHBondContact O-N 3.2Å; L469-L472 HydrophobicContact CD2-CD1 4.24Å; L472-V474 VanDerWaalsContact C-N 3.32Å; L472-V474 PolarHBondContact O-N 2.97Å; L472-L475 PolarHBondContact O-N 2.96Å |
| 473 | R | 42.9 | Very low | 46 | Very low | 57 Ų | 57 | 88.6 Ų | 88.6 | 22% | 0.215 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -63.8 | -32.4 | 175.7 | -178.7 | 178 | 166.1 | 143.3 | 12.1 | 113.2 | L470 K471 L475 Y476 D477 | L470-R473 WeakPolarHBondContact O-CB 3.4Å; L470-R473 PolarHBondContact O-N 3.13Å; K471-R473 PolarHBondContact O-N 3.21Å; R473-L475 PolarHBondContact O-N 2.97Å; R473-Y476 WeakPolarHBondContact O-CA 3.15Å; R473-Y476 WeakPolarHBondContact O-CB 3.3Å; R473-Y476 PolarHBondContact O-N 3.44Å; R473-D477 WeakPolarHBondContact CG-OD2 3.43Å; R473-D477 IonicContact CZ-OD2 3.92Å; R473-D477 IonicContact NE-OD1 2.77Å; R473-D477 IonicContact NE-OD2 3.84Å; R473-D477 PolarHBondContact NE-OD2 3.34Å; R473-D477 IonicContact NH2-OD1 3.28Å; R473-D477 PolarHBondContact NH2-OD1 3.31Å; R473-D477 IonicContact NH2-OD2 2.73Å; R473-D477 PolarHBondContact NH2-OD2 3.21Å; R473-D477 PolarHBondContact O-N 2.93Å |
| 474 | V | 45.6 | Very low | 44.3 | Very low | 108 Ų | 108 | 91.2 Ų | 91.2 | 66% | 0.655 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -65.5 | -26.2 | -176.9 | -175.7 | 0 | 0 | 0 | 0 | 112 | K471 L472 Y476 | K471-V474 WeakPolarHBondContact O-CB 3.48Å; K471-V474 PolarHBondContact O-N 3.2Å; L472-V474 VanDerWaalsContact C-N 3.32Å; L472-V474 PolarHBondContact O-N 2.97Å; V474-Y476 VanDerWaalsContact C-N 3.32Å |
| 475 | L | 42.1 | Very low | 42.9 | Very low | 125 Ų | 125 | 95.7 Ų | 95.7 | 65% | 0.654 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.4 | -16.3 | 172.3 | -67.1 | 170.9 | 0 | 0 | 0 | 113.3 | L472 R473 | L472-L475 PolarHBondContact O-N 2.96Å; R473-L475 PolarHBondContact O-N 2.97Å |
| 476 | Y | 41.2 | Very low | 41.2 | Very low | 112 Ų | 112 | 100 Ų | 100 | 44% | 0.439 | 57% | 0.565 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -95.3 | -25.6 | -180 | -93.8 | -73.7 | 0 | 0 | 0 | 114.2 | V426 R473 V474 M478 H492 | V426-Y476 HydrophobicContact CG1-CE2 3.99Å; V426-Y476 HydrophobicContact CG2-CE2 4.36Å; R473-Y476 WeakPolarHBondContact O-CA 3.15Å; R473-Y476 WeakPolarHBondContact O-CB 3.3Å; R473-Y476 PolarHBondContact O-N 3.44Å; V474-Y476 VanDerWaalsContact C-N 3.32Å; Y476-M478 PolarHBondContact O-N 3.42Å; Y476-H492 AromaticContact CE1-CE1 3.73Å |
| 477 | D | 39 | Very low | 39.5 | Very low | 101 Ų | 101 | 106.9 Ų | 106.9 | 54% | 0.54 | 60% | 0.596 | S | S | . | * | trans | -80.5 | 18.5 | 179.8 | -78.4 | -49 | 0 | 0 | 0 | 113.5 | R473 | R473-D477 WeakPolarHBondContact CG-OD2 3.43Å; R473-D477 IonicContact CZ-OD2 3.92Å; R473-D477 IonicContact NE-OD1 2.77Å; R473-D477 IonicContact NE-OD2 3.84Å; R473-D477 PolarHBondContact NE-OD2 3.34Å; R473-D477 IonicContact NH2-OD1 3.28Å; R473-D477 PolarHBondContact NH2-OD1 3.31Å; R473-D477 IonicContact NH2-OD2 2.73Å; R473-D477 PolarHBondContact NH2-OD2 3.21Å; R473-D477 PolarHBondContact O-N 2.93Å | ||
| 478 | M | 32.4 | Very low | 37.9 | Very low | 147 Ų | 147 | 108.9 Ų | 108.9 | 72% | 0.724 | 62% | 0.616 | S | S | * | * | trans | -81.3 | 122.5 | 176.3 | -77.6 | -71.7 | -80 | 0 | 0 | 112 | Y476 N480 | Y476-M478 PolarHBondContact O-N 3.42Å; M478-N480 PolarHBondContact O-N 2.85Å | ||
| 479 | P | 29.6 | Very low | 36.6 | Very low | 112 Ų | 112 | 114.2 Ų | 114.2 | 73% | 0.727 | 64% | 0.642 | S | S | * | * | trans | -84.1 | 100.9 | -170.1 | 31.9 | -35.3 | 0 | 0 | 0 | 113.6 | K481 | P479-K481 PolarHBondContact O-N 2.86Å; P479-K481 VanDerWaalsContact O-N 3.15Å | ||
| 480 | N | 29.1 | Very low | 35.6 | Very low | 170 Ų | 170 | 117.2 Ų | 117.2 | 91% | 0.909 | 66% | 0.662 | S | S | * | * | trans | -57.1 | 114.3 | 169 | -83 | -25.1 | 0 | 0 | 0 | 111.8 | M478 | M478-N480 PolarHBondContact O-N 2.85Š| ||
| 481 | K | 27 | Very low | 34.8 | Very low | 190 Ų | 190 | 116.6 Ų | 116.6 | 83% | 0.826 | 66% | 0.659 | S | S | * | * | trans | -109.9 | 116.9 | 169 | -87.3 | -175.4 | 173.3 | 178.5 | 0 | 110.6 | P479 | P479-K481 PolarHBondContact O-N 2.86Å; P479-K481 VanDerWaalsContact O-N 3.15Å | ||
| 482 | S | 27.7 | Very low | 34.2 | Very low | 118 Ų | 118 | 115.8 Ų | 115.8 | 83% | 0.825 | 66% | 0.657 | S | S | * | * | S | Bend | trans | 70 | 136.8 | 170.6 | 84.3 | 0 | 0 | 0 | 0 | 115.1 | ||
| 483 | T | 27.3 | Very low | 33.7 | Very low | 133 Ų | 133 | 120.2 Ų | 120.2 | 82% | 0.816 | 68% | 0.676 | S | S | * | * | cis | -138.4 | 131.4 | -3.4 | 49.4 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 484 | G | 24.8 | Very low | 33.9 | Very low | 80 Ų | 80 | 125 Ų | 125 | 83% | 0.825 | 70% | 0.696 | S | S | * | * | trans | 48.4 | 93.3 | 137.8 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 485 | S | 28.7 | Very low | 34.1 | Very low | 129 Ų | 129 | 122.4 Ų | 122.4 | 90% | 0.902 | 68% | 0.678 | S | S | * | * | -164.4 | 154.5 | 124.1 | 48.2 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 486 | S | 26.9 | Very low | 34.4 | Very low | 110 Ų | 110 | 117.2 Ų | 117.2 | 77% | 0.769 | 66% | 0.655 | S | S | * | * | trans | -120.9 | 91.7 | -165.7 | 56.8 | 0 | 0 | 0 | 0 | 113 | ||||
| 487 | Q | 27.9 | Very low | 34.8 | Very low | 196 Ų | 196 | 114.5 Ų | 114.5 | 92% | 0.916 | 65% | 0.652 | S | S | * | * | trans | -178 | 89.5 | 161.5 | -104.9 | 157.4 | 21.7 | 0 | 0 | 112.3 | ||||
| 488 | S | 29.2 | Very low | 35.5 | Very low | 98 Ų | 98 | 112 Ų | 112 | 69% | 0.685 | 64% | 0.636 | S | S | * | * | trans | -178.9 | 17.2 | 162.1 | 51 | 0 | 0 | 0 | 0 | 115.7 | T490 | S488-T490 PolarHBondContact O-N 3.17Å; S488-T490 VanDerWaalsContact O-N 3.13Å | ||
| 489 | L | 29.3 | Very low | 36.6 | Very low | 147 Ų | 147 | 107.2 Ų | 107.2 | 77% | 0.77 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.8 | 5.5 | -172.4 | -109.1 | 154.8 | 0 | 0 | 0 | 115.5 | ||
| 490 | T | 37 | Very low | 37.8 | Very low | 98 Ų | 98 | 104.8 Ų | 104.8 | 60% | 0.601 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.7 | -24.6 | -175.2 | 40.3 | 0 | 0 | 0 | 0 | 114.6 | S488 | S488-T490 PolarHBondContact O-N 3.17Å; S488-T490 VanDerWaalsContact O-N 3.13Å |
| 491 | N | 38.2 | Very low | 39.1 | Very low | 64 Ų | 64 | 101 Ų | 101 | 34% | 0.342 | 57% | 0.574 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -90.3 | -15 | -158.5 | -58.2 | 0.7 | 0 | 0 | 0 | 113.8 | D432 H493 | D432-N491 PolarHBondContact OD1-ND2 2.97Å; D432-N491 PolarHBondContact OD2-ND2 3.26Å; N491-H493 VanDerWaalsContact C-N 3.28Å; N491-H493 PolarHBondContact O-N 3.37Å |
| 492 | H | 41.3 | Very low | 40.6 | Very low | 109 Ų | 109 | 93 Ų | 93 | 51% | 0.505 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -73.8 | -15.7 | 175.1 | -68 | -59.3 | 0 | 0 | 0 | 113.8 | Y476 Y494 | Y476-H492 AromaticContact CE1-CE1 3.73Å; H492-Y494 PolarHBondContact O-N 2.9Å |
| 493 | H | 41.4 | Very low | 42.1 | Very low | 120 Ų | 120 | 90.9 Ų | 90.9 | 56% | 0.556 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -70.6 | -25.9 | -175.8 | -74.8 | -62.9 | 0 | 0 | 0 | 114.6 | N491 | N491-H493 VanDerWaalsContact C-N 3.28Å; N491-H493 PolarHBondContact O-N 3.37Å |
| 494 | Y | 46.4 | Very low | 43.4 | Very low | 158 Ų | 158 | 86.3 Ų | 86.3 | 62% | 0.62 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -79.6 | -35.2 | -179.6 | -81.2 | -84.5 | 0 | 0 | 0 | 113.6 | H492 G496 S497 F498 | H492-Y494 PolarHBondContact O-N 2.9Å; Y494-G496 VanDerWaalsContact C-N 3.26Å; Y494-G496 PolarHBondContact O-N 2.9Å; Y494-S497 PolarHBondContact O-N 2.73Å; Y494-S497 PolarHBondContact O-OG 2.69Å; Y494-S497 VanDerWaalsContact O-OG 3.07Å; Y494-F498 HydrophobicContact CD1-CE2 4.25Å; Y494-F498 VanDerWaalsContact O-CD2 3.23Å; Y494-F498 WeakPolarHBondContact O-CD2 3.25Å; Y494-F498 PolarHBondContact O-N 3.11Å; Y494-F498 VanDerWaalsContact O-N 3.14Å |
| 495 | L | 48.7 | Very low | 44.9 | Very low | 54 Ų | 54 | 88.1 Ų | 88.1 | 28% | 0.283 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -57.9 | -41.1 | 178.6 | -91.1 | 80.7 | 0 | 0 | 0 | 111.7 | W439 F498 L499 | W439-L495 HydrophobicContact CH2-CD2 4.07Å; W439-L495 HydrophobicContact CH2-CG 4.1Å; W439-L495 HydrophobicContact CZ2-CD2 3.64Å; W439-L495 HydrophobicContact CZ2-CG 3.71Å; L495-F498 PolarHBondContact O-N 3.14Å; L495-L499 WeakPolarHBondContact O-CB 3.05Å; L495-L499 PolarHBondContact O-N 3.26Å |
| 496 | G | 49.4 | Very low | 46.2 | Very low | 16 Ų | 16 | 83.8 Ų | 83.8 | 17% | 0.165 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -62.5 | -41.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y494 L499 I500 | Y494-G496 VanDerWaalsContact C-N 3.26Å; Y494-G496 PolarHBondContact O-N 2.9Å; G496-L499 PolarHBondContact O-N 3.49Å; G496-I500 WeakPolarHBondContact O-CB 3.37Å; G496-I500 VanDerWaalsContact O-CG1 3.28Å; G496-I500 WeakPolarHBondContact O-CG1 3.44Å; G496-I500 PolarHBondContact O-N 3.37Å |
| 497 | S | 49.3 | Very low | 47.6 | Very low | 55 Ų | 55 | 83.2 Ų | 83.2 | 39% | 0.385 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -73.5 | -34.5 | -179.8 | 65.2 | 0 | 0 | 0 | 0 | 112.7 | Y494 N501 | Y494-S497 PolarHBondContact O-N 2.73Å; Y494-S497 PolarHBondContact O-OG 2.69Å; Y494-S497 VanDerWaalsContact O-OG 3.07Å; S497-N501 WeakPolarHBondContact O-CB 3.23Å; S497-N501 PolarHBondContact O-N 2.95Å |
| 498 | F | 53.9 | Low | 48.8 | Very low | 48 Ų | 48 | 79 Ų | 79 | 21% | 0.211 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -65.6 | -41.6 | 170 | -76.3 | -66.3 | 0 | 0 | 0 | 111.9 | W439 T443 Y494 L495 I500 N501 C502 | W439-F498 HydrophobicContact CE3-CB 4.22Å; T443-F498 HydrophobicContact CG2-CD1 4.4Å; Y494-F498 HydrophobicContact CD1-CE2 4.25Å; Y494-F498 VanDerWaalsContact O-CD2 3.23Å; Y494-F498 WeakPolarHBondContact O-CD2 3.25Å; Y494-F498 PolarHBondContact O-N 3.11Å; Y494-F498 VanDerWaalsContact O-N 3.14Å; L495-F498 PolarHBondContact O-N 3.14Å; F498-I500 PolarHBondContact O-N 2.89Å; F498-N501 PolarHBondContact O-N 2.88Å; F498-C502 PolarHBondContact O-N 3.12Å; F498-C502 PolarHBondContact O-SG 2.96Å |
| 499 | L | 56.2 | Low | 49.9 | Very low | 47 Ų | 47 | 79.2 Ų | 79.2 | 25% | 0.246 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -62 | -44.8 | 176.9 | -150.4 | 82.6 | 0 | 0 | 0 | 112.1 | L469 L495 G496 C502 L503 | L469-L499 HydrophobicContact CD1-CD1 3.92Å; L469-L499 HydrophobicContact CD1-CG 4.39Å; L469-L499 HydrophobicContact CD2-CD1 3.76Å; L469-L499 HydrophobicContact CG-CD1 4.37Å; L495-L499 WeakPolarHBondContact O-CB 3.05Å; L495-L499 PolarHBondContact O-N 3.26Å; G496-L499 PolarHBondContact O-N 3.49Å; L499-C502 PolarHBondContact O-N 3.39Å; L499-L503 WeakPolarHBondContact O-CG 3.18Å; L499-L503 PolarHBondContact O-N 3.18Å |
| 500 | I | 54.6 | Low | 51 | Low | 61 Ų | 61 | 74.7 Ų | 74.7 | 31% | 0.313 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -66.4 | -39 | 177.1 | -68.8 | 168.6 | 0 | 0 | 0 | 110.6 | G496 F498 C502 L503 A504 L556 | G496-I500 WeakPolarHBondContact O-CB 3.37Å; G496-I500 VanDerWaalsContact O-CG1 3.28Å; G496-I500 WeakPolarHBondContact O-CG1 3.44Å; G496-I500 PolarHBondContact O-N 3.37Å; F498-I500 PolarHBondContact O-N 2.89Å; I500-C502 PolarHBondContact O-N 2.82Å; I500-L503 PolarHBondContact O-N 3.18Å; I500-A504 WeakPolarHBondContact O-CB 3.32Å; I500-A504 PolarHBondContact O-N 2.9Å; I500-L556 HydrophobicContact CD1-CD2 3.86Å; I500-L556 HydrophobicContact CD1-CG 4.11Å |
| 501 | N | 56 | Low | 51.4 | Low | 91 Ų | 91 | 76 Ų | 76 | 49% | 0.487 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -64.3 | -36.2 | 173.3 | -97.8 | -39.1 | 0 | 0 | 0 | 113.1 | S497 F498 K505 | S497-N501 WeakPolarHBondContact O-CB 3.23Å; S497-N501 PolarHBondContact O-N 2.95Å; F498-N501 PolarHBondContact O-N 2.88Å; N501-K505 VanDerWaalsContact O-CB 3.28Å; N501-K505 WeakPolarHBondContact O-CB 3.36Å; N501-K505 WeakPolarHBondContact O-CG 3.34Å; N501-K505 PolarHBondContact O-N 2.74Å |
| 502 | C | 58 | Low | 51.6 | Low | 20 Ų | 20 | 78 Ų | 78 | 14% | 0.135 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -62.8 | -49.1 | 172.7 | -72.9 | 0 | 0 | 0 | 0 | 111.4 | F498 L499 I500 K505 L506 | F498-C502 PolarHBondContact O-N 3.12Å; F498-C502 PolarHBondContact O-SG 2.96Å; L499-C502 PolarHBondContact O-N 3.39Å; I500-C502 PolarHBondContact O-N 2.82Å; C502-K505 PolarHBondContact O-N 2.78Å; C502-L506 WeakPolarHBondContact O-CB 3.34Å; C502-L506 WeakPolarHBondContact O-CG 3.5Å; C502-L506 PolarHBondContact O-N 3.07Å |
| 503 | L | 58.7 | Low | 51.7 | Low | 74 Ų | 74 | 79.6 Ų | 79.6 | 39% | 0.387 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -66.8 | -37.2 | 179.5 | -67.1 | 170.7 | 0 | 0 | 0 | 112.4 | I466 L499 I500 L506 Y507 | I466-L503 HydrophobicContact CG1-CD2 4.36Å; L499-L503 WeakPolarHBondContact O-CG 3.18Å; L499-L503 PolarHBondContact O-N 3.18Å; I500-L503 PolarHBondContact O-N 3.18Å; L503-L506 PolarHBondContact O-N 2.93Å; L503-Y507 PolarHBondContact O-N 2.87Å |
| 504 | A | 56.2 | Low | 51.7 | Low | 37 Ų | 37 | 81.6 Ų | 81.6 | 31% | 0.306 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -70.9 | -40.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | I500 L506 Y507 I508 | I500-A504 WeakPolarHBondContact O-CB 3.32Å; I500-A504 PolarHBondContact O-N 2.9Å; A504-L506 VanDerWaalsContact C-N 3.34Å; A504-Y507 PolarHBondContact O-N 2.89Å; A504-I508 WeakPolarHBondContact O-CB 3.23Å; A504-I508 VanDerWaalsContact O-CG1 3.25Å; A504-I508 WeakPolarHBondContact O-CG1 3.28Å; A504-I508 PolarHBondContact O-N 2.78Å |
| 505 | K | 54.5 | Low | 51.5 | Low | 119 Ų | 119 | 79.6 Ų | 79.6 | 52% | 0.517 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -63.6 | -39.2 | 172.1 | -79.8 | -177.2 | 173.1 | -175 | 0 | 111.9 | N501 C502 I508 N509 | N501-K505 VanDerWaalsContact O-CB 3.28Å; N501-K505 WeakPolarHBondContact O-CB 3.36Å; N501-K505 WeakPolarHBondContact O-CG 3.34Å; N501-K505 PolarHBondContact O-N 2.74Å; C502-K505 PolarHBondContact O-N 2.78Å; K505-I508 PolarHBondContact O-N 3.18Å; K505-N509 VanDerWaalsContact O-CB 3.25Å; K505-N509 WeakPolarHBondContact O-CB 3.32Å; K505-N509 PolarHBondContact O-N 2.87Å |
| 506 | L | 57.5 | Low | 51.1 | Low | 37 Ų | 37 | 81 Ų | 81 | 19% | 0.194 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -59.5 | -47.4 | 171.5 | -78.6 | 164.2 | 0 | 0 | 0 | 111.3 | C502 L503 A504 L510 | C502-L506 WeakPolarHBondContact O-CB 3.34Å; C502-L506 WeakPolarHBondContact O-CG 3.5Å; C502-L506 PolarHBondContact O-N 3.07Å; L503-L506 PolarHBondContact O-N 2.93Å; A504-L506 VanDerWaalsContact C-N 3.34Å; L506-L510 WeakPolarHBondContact O-CD1 3.49Å; L506-L510 VanDerWaalsContact O-CG 3.22Å; L506-L510 WeakPolarHBondContact O-CG 3.3Å; L506-L510 PolarHBondContact O-N 3.1Å |
| 507 | Y | 55.2 | Low | 50.5 | Low | 98 Ų | 98 | 82.6 Ų | 82.6 | 38% | 0.384 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -62.8 | -44.6 | 177 | -174.6 | -86.3 | 0 | 0 | 0 | 113.1 | L503 A504 L510 L584 | L503-Y507 PolarHBondContact O-N 2.87Å; A504-Y507 PolarHBondContact O-N 2.89Å; Y507-L510 PolarHBondContact O-N 3.13Å; Y507-L584 HydrophobicContact CD2-CB 4.36Å; Y507-L584 HydrophobicContact CD2-CD1 3.76Å; Y507-L584 HydrophobicContact CE2-CB 4.26Å; Y507-L584 HydrophobicContact CE2-CD1 4.37Å |
| 508 | I | 54.4 | Low | 49.8 | Very low | 108 Ų | 108 | 81.5 Ų | 81.5 | 55% | 0.554 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -72 | -32.4 | -176.8 | -68.5 | 165.6 | 0 | 0 | 0 | 112 | A504 K505 L510 | A504-I508 WeakPolarHBondContact O-CB 3.23Å; A504-I508 VanDerWaalsContact O-CG1 3.25Å; A504-I508 WeakPolarHBondContact O-CG1 3.28Å; A504-I508 PolarHBondContact O-N 2.78Å; K505-I508 PolarHBondContact O-N 3.18Å; I508-L510 VanDerWaalsContact C-N 3.3Å |
| 509 | N | 52.7 | Low | 48.8 | Very low | 103 Ų | 103 | 81.1 Ų | 81.1 | 55% | 0.551 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -75.7 | -19 | 174.9 | -69.8 | -4.6 | 0 | 0 | 0 | 112.6 | K505 N511 | K505-N509 VanDerWaalsContact O-CB 3.25Å; K505-N509 WeakPolarHBondContact O-CB 3.32Å; K505-N509 PolarHBondContact O-N 2.87Å; N509-N511 PolarHBondContact O-N 2.91Å |
| 510 | L | 50.7 | Low | 47.8 | Very low | 51 Ų | 51 | 84 Ų | 84 | 27% | 0.267 | 44% | 0.44 | S | S | . | . | trans | -79.6 | 55.3 | 172.2 | -72.1 | 166.5 | 0 | 0 | 0 | 111.7 | L506 Y507 I508 L515 L584 | L506-L510 WeakPolarHBondContact O-CD1 3.49Å; L506-L510 VanDerWaalsContact O-CG 3.22Å; L506-L510 WeakPolarHBondContact O-CG 3.3Å; L506-L510 PolarHBondContact O-N 3.1Å; Y507-L510 PolarHBondContact O-N 3.13Å; I508-L510 VanDerWaalsContact C-N 3.3Å; L510-L515 HydrophobicContact CD2-CD1 4.24Å; L510-L584 HydrophobicContact CD1-CD1 4.25Å | ||
| 511 | N | 46.6 | Very low | 47.2 | Very low | 127 Ų | 127 | 83.5 Ų | 83.5 | 68% | 0.679 | 44% | 0.437 | S | S | * | . | trans | -66 | 138.3 | 173 | -93 | -44.1 | 0 | 0 | 0 | 111.2 | N509 D513 | N509-N511 PolarHBondContact O-N 2.91Å; N511-D513 VanDerWaalsContact C-N 3.31Å; N511-D513 PolarHBondContact O-N 3.48Å | ||
| 512 | Y | 42.3 | Very low | 46.5 | Very low | 105 Ų | 105 | 81.7 Ų | 81.7 | 41% | 0.412 | 43% | 0.432 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -22.3 | -153 | -102.5 | -105.2 | 0 | 0 | 0 | 116.7 | ||
| 513 | D | 42.5 | Very low | 45.9 | Very low | 142 Ų | 142 | 81.9 Ų | 81.9 | 76% | 0.759 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.2 | -23.6 | -167.3 | -61.3 | -46.6 | 0 | 0 | 0 | 115.1 | N511 A516 | N511-D513 VanDerWaalsContact C-N 3.31Å; N511-D513 PolarHBondContact O-N 3.48Å; D513-A516 PolarHBondContact O-N 3.49Å |
| 514 | Q | 41.2 | Very low | 45.2 | Very low | 163 Ų | 163 | 78.7 Ų | 78.7 | 76% | 0.762 | 42% | 0.415 | S | S | * | . | G | 310 helix | trans | -81.7 | -18.5 | -174.8 | -74.8 | -168 | -29.9 | 0 | 0 | 114.7 | A516 | Q514-A516 PolarHBondContact O-N 3.06Š|
| 515 | L | 42.2 | Very low | 44.7 | Very low | 115 Ų | 115 | 77.9 Ų | 77.9 | 60% | 0.602 | 40% | 0.404 | S | S | * | . | G | 310 helix | trans | -72.1 | -11.9 | 171.8 | -85.4 | 165.8 | 0 | 0 | 0 | 113.2 | L510 | L510-L515 HydrophobicContact CD2-CD1 4.24Š|
| 516 | A | 41 | Very low | 44.5 | Very low | 83 Ų | 83 | 73.4 Ų | 73.4 | 69% | 0.686 | 39% | 0.385 | S | S | * | . | G | 310 helix | trans | -89.4 | -15 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | D513 Q514 | D513-A516 PolarHBondContact O-N 3.49Å; Q514-A516 PolarHBondContact O-N 3.06Å |
| 517 | S | 36.8 | Very low | 44.1 | Very low | 50 Ų | 50 | 73.3 Ų | 73.3 | 35% | 0.35 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.2 | -23 | -174.6 | 53.5 | 0 | 0 | 0 | 0 | 114.8 | N519 | S517-N519 VanDerWaalsContact O-CB 3.26Å; S517-N519 WeakPolarHBondContact O-CB 3.39Å; S517-N519 PolarHBondContact O-ND2 2.86Å |
| 518 | N | 34.1 | Very low | 43.8 | Very low | 33 Ų | 33 | 70 Ų | 70 | 18% | 0.176 | 37% | 0.372 | C | S | . | . | trans | -114.6 | 48 | -171.3 | -72.2 | -37.9 | 0 | 0 | 0 | 114.3 | Q520 D1384 Y1385 | N518-Q520 VanDerWaalsContact C-N 3.31Å; N518-Q520 PolarHBondContact O-N 3.49Å; N518-D1384 HydrophobicContact CB-CB 4.18Å; N518-D1384 VanDerWaalsContact CG-CB 3.41Å; N518-D1384 VanDerWaalsContact CG-CG 3.4Å; N518-D1384 VanDerWaalsContact ND2-CB 3.35Å; N518-D1384 WeakPolarHBondContact ND2-CB 3.32Å; N518-D1384 PolarHBondContact ND2-OD2 3.37Å; N518-D1384 WeakPolarHBondContact OD1-CA 3.11Å; N518-D1384 WeakPolarHBondContact OD1-CB 3.39Å; N518-Y1385 WeakPolarHBondContact OD1-CA 3.32Å; N518-Y1385 VanDerWaalsContact OD1-CD1 3.24Å; N518-Y1385 WeakPolarHBondContact OD1-CD1 3.18Å | ||
| 519 | N | 33.4 | Very low | 43.7 | Very low | 39 Ų | 39 | 64.9 Ų | 64.9 | 21% | 0.209 | 35% | 0.346 | C | S | . | . | 38.8 | 51.2 | 100.3 | -76.2 | -6 | 0 | 0 | 0 | 118.8 | S517 S1386 Y1387 S1388 | S517-N519 VanDerWaalsContact O-CB 3.26Å; S517-N519 WeakPolarHBondContact O-CB 3.39Å; S517-N519 PolarHBondContact O-ND2 2.86Å; N519-S1386 VanDerWaalsContact CB-CA 3.45Å; N519-S1386 CarbonylContact O-C 3.25Å; N519-S1386 VanDerWaalsContact O-C 3.25Å; N519-Y1387 CarbonylContact C-O 3.26Å; N519-Y1387 VanDerWaalsContact CB-C 3.46Å; N519-Y1387 CarbonylContact O-C 3.37Å; N519-Y1387 PolarHBondContact O-N 3.44Å; N519-S1388 VanDerWaalsContact CA-N 3.31Å; N519-S1388 VanDerWaalsContact CG-N 3.31Å; N519-S1388 WeakPolarHBondContact OD1-CA 3.37Å; N519-S1388 WeakPolarHBondContact OD1-CB 3.24Å; N519-S1388 PolarHBondContact OD1-N 2.77Å; N519-S1388 PolarHBondContact OD1-OG 3.28Å | |||
| 520 | Q | 36.2 | Very low | 43.6 | Very low | 107 Ų | 107 | 62.4 Ų | 62.4 | 50% | 0.5 | 33% | 0.329 | S | S | . | . | trans | -165.1 | 105.1 | 144.1 | -105.3 | -170.7 | 12.9 | 0 | 0 | 107.3 | N518 Y1387 | N518-Q520 VanDerWaalsContact C-N 3.31Å; N518-Q520 PolarHBondContact O-N 3.49Å; Q520-Y1387 VanDerWaalsContact CA-O 3.3Å; Q520-Y1387 WeakPolarHBondContact CA-O 3.44Å; Q520-Y1387 PolarHBondContact N-O 3.05Å | ||
| 521 | I | 41 | Very low | 43.7 | Very low | 51 Ų | 51 | 61.3 Ų | 61.3 | 26% | 0.262 | 33% | 0.328 | S | S | . | . | trans | -138 | 33.5 | -169.7 | -28.9 | 177.9 | 0 | 0 | 0 | 112.3 | D523 T524 H1389 S1390 I1391 | I521-D523 PolarHBondContact O-N 2.77Å; I521-T524 HydrophobicContact CG2-CG2 3.71Å; I521-T524 PolarHBondContact O-N 3.4Å; I521-H1389 CarbonylContact C-O 3.59Å; I521-H1389 CarbonylContact O-C 3.59Å; I521-S1390 WeakPolarHBondContact O-CA 2.98Å; I521-S1390 PolarHBondContact O-N 2.86Å; I521-I1391 PolarHBondContact O-N 3.42Å | ||
| 522 | S | 41.4 | Very low | 43.9 | Very low | 54 Ų | 54 | 56.8 Ų | 56.8 | 38% | 0.378 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | 29 | -173.6 | 64 | 0 | 0 | 0 | 0 | 114.8 | H1389 I1391 | S522-H1389 VanDerWaalsContact CA-O 3.3Å; S522-H1389 WeakPolarHBondContact CA-O 3.37Å; S522-H1389 PolarHBondContact N-O 3.36Å; S522-H1389 VanDerWaalsContact N-O 3.14Å; S522-I1391 WeakPolarHBondContact O-CD1 3.3Å; S522-I1391 WeakPolarHBondContact O-CG1 3.22Å |
| 523 | D | 45.9 | Very low | 44.3 | Very low | 23 Ų | 23 | 54.7 Ų | 54.7 | 12% | 0.123 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -149 | 22.5 | 179.5 | -88.1 | -65.1 | 0 | 0 | 0 | 115.1 | I521 R525 H526 H527 L1377 | I521-D523 PolarHBondContact O-N 2.77Å; D523-R525 PolarHBondContact O-N 2.87Å; D523-H526 HydrophobicContact CB-CB 4.24Å; D523-H526 CarbonylContact O-C 3.6Å; D523-H526 VanDerWaalsContact O-CA 3.27Å; D523-H526 WeakPolarHBondContact O-CA 3.44Å; D523-H526 VanDerWaalsContact O-CB 3.26Å; D523-H526 WeakPolarHBondContact O-CB 3.49Å; D523-H526 PolarHBondContact O-N 2.9Å; D523-H526 IonicContact OD1-CD2 3.24Å; D523-H526 PolarHBondContact OD1-CD2 2.91Å; D523-H526 IonicContact OD1-CG 3.83Å; D523-H526 IonicContact OD1-ND1 3.5Å; D523-H526 IonicContact OD1-NE2 3.64Å; D523-H527 PolarHBondContact O-N 2.94Å; D523-H527 PolarHBondContact O-ND1 3.21Å; D523-L1377 HydrophobicContact CB-CB 3.96Å; D523-L1377 WeakPolarHBondContact CB-O 3.37Å; D523-L1377 VanDerWaalsContact OD1-CB 3.31Å; D523-L1377 WeakPolarHBondContact OD1-CB 3.49Å; D523-L1377 WeakPolarHBondContact OD1-CD1 3.49Å; D523-L1377 VanDerWaalsContact OD2-CB 3.28Å; D523-L1377 WeakPolarHBondContact OD2-CB 3.2Å; D523-L1377 WeakPolarHBondContact OD2-CD1 3.04Å |
| 524 | T | 44.1 | Very low | 44.8 | Very low | 7 Ų | 7 | 50.2 Ų | 50.2 | 4% | 0.043 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -59.2 | -29.8 | 168.5 | 52.9 | 0 | 0 | 0 | 0 | 113.5 | I521 H526 H527 L528 T592 S1390 I1391 | I521-T524 HydrophobicContact CG2-CG2 3.71Å; I521-T524 PolarHBondContact O-N 3.4Å; T524-H526 PolarHBondContact O-N 2.66Å; T524-H526 VanDerWaalsContact O-N 3.12Å; T524-H527 PolarHBondContact O-N 3.23Å; T524-L528 WeakPolarHBondContact O-CB 3.47Å; T524-L528 WeakPolarHBondContact O-CG 3.2Å; T524-L528 PolarHBondContact O-N 2.92Å; T524-T592 HydrophobicContact CG2-CG2 4.19Å; T524-S1390 WeakPolarHBondContact OG1-CA 3.34Å; T524-S1390 WeakPolarHBondContact OG1-CB 3.37Å; T524-I1391 PolarHBondContact OG1-N 2.81Å; T524-I1391 PolarHBondContact OG1-O 2.9Å |
| 525 | R | 46 | Very low | 45.3 | Very low | 20 Ų | 20 | 44.3 Ų | 44.3 | 8% | 0.075 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -42.6 | -49.6 | 167.2 | -114 | -177.4 | -126.9 | -144.3 | 1.9 | 109.6 | D523 K529 I1391 Y1407 W1408 R1411 | D523-R525 PolarHBondContact O-N 2.87Å; R525-K529 VanDerWaalsContact O-CG 3.24Å; R525-K529 WeakPolarHBondContact O-CG 3.45Å; R525-K529 PolarHBondContact O-N 2.94Å; R525-I1391 HydrophobicContact CB-CB 3.95Å; R525-I1391 HydrophobicContact CB-CD1 3.91Å; R525-I1391 HydrophobicContact CB-CG1 4.13Å; R525-I1391 HydrophobicContact CG-CB 4Å; R525-I1391 HydrophobicContact CG-CD1 4.43Å; R525-I1391 HydrophobicContact CG-CG2 4.45Å; R525-I1391 PolarHBondContact N-O 3.3Å; R525-I1391 VanDerWaalsContact NE-CG2 3.29Å; R525-Y1407 HydrophobicContact CG-CE1 4.32Å; R525-W1408 HydrophobicContact CB-CH2 4.47Å; R525-W1408 HydrophobicContact CG-CH2 3.26Å; R525-W1408 HydrophobicContact CG-CZ2 3.23Å; R525-W1408 HydrophobicContact CG-CZ3 4.21Å; R525-W1408 VanDerWaalsContact NE-CZ2 3.29Å; R525-W1408 VanDerWaalsContact NH2-NE1 3.16Å; R525-R1411 PolarHBondContact O-NH1 3.36Å; R525-R1411 PolarHBondContact O-NH2 3.48Å; R525-R1411 VanDerWaalsContact O-NH2 3.13Å |
| 526 | H | 49.8 | Very low | 45.4 | Very low | 26 Ų | 26 | 40.5 Ų | 40.5 | 12% | 0.12 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -78.5 | -35.1 | -179.7 | -71.4 | 27.9 | 0 | 0 | 0 | 112.4 | T460 D523 T524 L528 K529 N1375 K1376 L1377 | T460-H526 HydrophobicContact CG2-CB 4.04Å; D523-H526 HydrophobicContact CB-CB 4.24Å; D523-H526 CarbonylContact O-C 3.6Å; D523-H526 VanDerWaalsContact O-CA 3.27Å; D523-H526 WeakPolarHBondContact O-CA 3.44Å; D523-H526 VanDerWaalsContact O-CB 3.26Å; D523-H526 WeakPolarHBondContact O-CB 3.49Å; D523-H526 PolarHBondContact O-N 2.9Å; D523-H526 IonicContact OD1-CD2 3.24Å; D523-H526 PolarHBondContact OD1-CD2 2.91Å; D523-H526 IonicContact OD1-CG 3.83Å; D523-H526 IonicContact OD1-ND1 3.5Å; D523-H526 IonicContact OD1-NE2 3.64Å; T524-H526 PolarHBondContact O-N 2.66Å; T524-H526 VanDerWaalsContact O-N 3.12Å; H526-L528 VanDerWaalsContact C-N 3.31Å; H526-L528 PolarHBondContact O-N 3.04Å; H526-K529 HydrophobicContact CB-CD 4.33Å; H526-K529 WeakPolarHBondContact ND1-CD 3.38Å; H526-K529 WeakPolarHBondContact O-CB 3.44Å; H526-K529 PolarHBondContact O-N 2.72Å; H526-N1375 WeakPolarHBondContact CB-O 3.31Å; H526-N1375 WeakPolarHBondContact CD2-CB 3.18Å; H526-N1375 VanDerWaalsContact NE2-CB 3.27Å; H526-N1375 WeakPolarHBondContact NE2-CB 3.35Å; H526-K1376 WeakPolarHBondContact O-CE 3.22Å; H526-K1376 VanDerWaalsContact O-CG 3.3Å; H526-K1376 WeakPolarHBondContact O-CG 3.44Å; H526-L1377 PolarHBondContact CD2-N 3.12Å |
| 527 | H | 48 | Very low | 45.7 | Very low | 34 Ų | 34 | 40.8 Ų | 40.8 | 16% | 0.157 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -56.7 | -45.3 | 168.3 | -59 | -1.9 | 0 | 0 | 0 | 111.9 | T460 D523 T524 K529 K1376 | T460-H527 WeakPolarHBondContact CG2-ND1 3.38Å; T460-H527 PolarHBondContact OG1-CE1 2.67Å; T460-H527 PolarHBondContact OG1-ND1 2.89Å; T460-H527 VanDerWaalsContact OG1-ND1 3.09Å; D523-H527 PolarHBondContact O-N 2.94Å; D523-H527 PolarHBondContact O-ND1 3.21Å; T524-H527 PolarHBondContact O-N 3.23Å; H527-K529 PolarHBondContact O-N 3.08Å; H527-K1376 VanDerWaalsContact O-CE 3.31Å; H527-K1376 WeakPolarHBondContact O-CE 3.31Å; H527-K1376 PolarHBondContact O-NZ 3.06Å |
| 528 | L | 50.2 | Low | 46 | Very low | 29 Ų | 29 | 39.8 Ų | 39.8 | 15% | 0.152 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66 | -14.5 | 175.1 | -67 | 166 | 0 | 0 | 0 | 113.6 | T524 H526 Y532 L589 L606 R1411 | T524-L528 WeakPolarHBondContact O-CB 3.47Å; T524-L528 WeakPolarHBondContact O-CG 3.2Å; T524-L528 PolarHBondContact O-N 2.92Å; H526-L528 VanDerWaalsContact C-N 3.31Å; H526-L528 PolarHBondContact O-N 3.04Å; L528-Y532 WeakPolarHBondContact O-CB 3.42Å; L528-Y532 PolarHBondContact O-N 3.48Å; L528-Y532 VanDerWaalsContact O-N 3.13Å; L528-L589 HydrophobicContact CD2-CD2 3.4Å; L528-L606 HydrophobicContact CD1-CD1 3.72Å; L528-L606 HydrophobicContact CD1-CD2 4.21Å; L528-L606 HydrophobicContact CD1-CG 4.32Å; L528-R1411 PolarHBondContact O-NH2 3.4Å |
| 529 | K | 51 | Low | 45.9 | Very low | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -66.2 | -79 | 179.9 | -72.9 | -176.1 | 96.6 | 179.6 | 0 | 110.3 | R525 H526 H527 A531 Y532 D533 Q1372 W1373 D1374 N1375 Y1407 R1411 | R525-K529 VanDerWaalsContact O-CG 3.24Å; R525-K529 WeakPolarHBondContact O-CG 3.45Å; R525-K529 PolarHBondContact O-N 2.94Å; H526-K529 HydrophobicContact CB-CD 4.33Å; H526-K529 WeakPolarHBondContact ND1-CD 3.38Å; H526-K529 WeakPolarHBondContact O-CB 3.44Å; H526-K529 PolarHBondContact O-N 2.72Å; H527-K529 PolarHBondContact O-N 3.08Å; K529-A531 CarbonylContact O-C 3.55Å; K529-A531 PolarHBondContact O-N 2.77Å; K529-Y532 VanDerWaalsContact O-CA 3.29Å; K529-Y532 WeakPolarHBondContact O-CA 3.31Å; K529-Y532 VanDerWaalsContact O-CB 3.3Å; K529-Y532 WeakPolarHBondContact O-CB 3.42Å; K529-Y532 PolarHBondContact O-N 3.49Å; K529-D533 PolarHBondContact O-N 2.7Å; K529-D533 VanDerWaalsContact O-N 3.16Å; K529-Q1372 WeakPolarHBondContact CE-O 3.44Å; K529-Q1372 PolarHBondContact NZ-O 3.42Å; K529-W1373 WeakPolarHBondContact CB-O 3.48Å; K529-W1373 WeakPolarHBondContact CD-O 2.96Å; K529-W1373 WeakPolarHBondContact CE-O 3.43Å; K529-W1373 WeakPolarHBondContact CG-O 3.18Å; K529-D1374 WeakPolarHBondContact CA-OD1 3.26Å; K529-D1374 HydrophobicContact CB-CB 4.3Å; K529-D1374 WeakPolarHBondContact CB-OD1 3.47Å; K529-D1374 VanDerWaalsContact CE-C 3.49Å; K529-D1374 VanDerWaalsContact CE-CA 3.45Å; K529-N1375 VanDerWaalsContact CB-O 3.29Å; K529-N1375 WeakPolarHBondContact CB-O 3.47Å; K529-N1375 HydrophobicContact CD-CB 3.97Å; K529-N1375 VanDerWaalsContact CD-N 3.26Å; K529-N1375 WeakPolarHBondContact CD-O 3.5Å; K529-N1375 PolarHBondContact NZ-OD1 2.64Å; K529-Y1407 WeakPolarHBondContact CD-OH 3.38Å; K529-Y1407 WeakPolarHBondContact CE-OH 3.26Å; K529-R1411 VanDerWaalsContact N-NH2 3.17Å |
| 530 | Y | 52.1 | Low | 46 | Very low | 51 Ų | 51 | 47.5 Ų | 47.5 | 20% | 0.2 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -70.3 | 11.7 | 178.8 | -39.4 | -178.4 | 0 | 0 | 0 | 115.3 | K464 H467 L534 D1374 K1376 | K464-Y530 HydrophobicContact CG-CE1 3.8Å; H467-Y530 HydrophobicContact CB-CD1 4.02Å; Y530-L534 WeakPolarHBondContact O-CB 3.23Å; Y530-D1374 WeakPolarHBondContact CA-OD2 3.41Å; Y530-D1374 WeakPolarHBondContact CB-OD2 3.29Å; Y530-D1374 HydrophobicContact CD2-CB 3.82Å; Y530-D1374 WeakPolarHBondContact CD2-OD2 3.4Å; Y530-D1374 HydrophobicContact CE2-CB 4.04Å; Y530-D1374 PolarHBondContact N-OD2 3.09Å; Y530-K1376 VanDerWaalsContact CB-NZ 3.27Å; Y530-K1376 HydrophobicContact CD1-CD 3.72Å; Y530-K1376 HydrophobicContact CD1-CG 4.16Å; Y530-K1376 HydrophobicContact CD2-CB 4.15Å; Y530-K1376 HydrophobicContact CD2-CD 3.69Å; Y530-K1376 HydrophobicContact CD2-CG 3.39Å; Y530-K1376 HydrophobicContact CE1-CB 4.16Å; Y530-K1376 HydrophobicContact CE1-CD 4.11Å; Y530-K1376 HydrophobicContact CE1-CG 4.2Å; Y530-K1376 HydrophobicContact CE2-CB 3.66Å; Y530-K1376 HydrophobicContact CE2-CD 4.09Å; Y530-K1376 HydrophobicContact CE2-CG 3.44Å; Y530-K1376 VanDerWaalsContact CE2-CG 3.44Å; Y530-K1376 HydrophobicContact CG-CD 3.48Å; Y530-K1376 VanDerWaalsContact CG-CD 3.48Å; Y530-K1376 HydrophobicContact CG-CG 3.77Å |
| 531 | A | 50.9 | Low | 46.1 | Very low | 29 Ų | 29 | 48.4 Ų | 48.4 | 24% | 0.24 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -86.4 | -42.3 | 158 | 0 | 0 | 0 | 0 | 0 | 110 | K529 L534 I535 | K529-A531 CarbonylContact O-C 3.55Å; K529-A531 PolarHBondContact O-N 2.77Å; A531-L534 PolarHBondContact O-N 2.7Å; A531-I535 WeakPolarHBondContact O-CD1 3.36Å; A531-I535 VanDerWaalsContact O-CG1 3.3Å; A531-I535 WeakPolarHBondContact O-CG1 3.49Å; A531-I535 PolarHBondContact O-N 2.93Å; A531-I535 VanDerWaalsContact O-N 3.16Å |
| 532 | Y | 51 | Low | 46.2 | Very low | 32 Ų | 32 | 49.6 Ų | 49.6 | 13% | 0.125 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -62.6 | -50.5 | 171.1 | -178.7 | -119.9 | 0 | 0 | 0 | 113.6 | L528 K529 L534 I535 S536 W1373 S1414 Q1415 | L528-Y532 WeakPolarHBondContact O-CB 3.42Å; L528-Y532 PolarHBondContact O-N 3.48Å; L528-Y532 VanDerWaalsContact O-N 3.13Å; K529-Y532 VanDerWaalsContact O-CA 3.29Å; K529-Y532 WeakPolarHBondContact O-CA 3.31Å; K529-Y532 VanDerWaalsContact O-CB 3.3Å; K529-Y532 WeakPolarHBondContact O-CB 3.42Å; K529-Y532 PolarHBondContact O-N 3.49Å; Y532-L534 PolarHBondContact O-N 2.85Å; Y532-I535 CarbonylContact O-C 3.56Å; Y532-I535 PolarHBondContact O-N 3.39Å; Y532-S536 VanDerWaalsContact O-CB 3.27Å; Y532-S536 WeakPolarHBondContact O-CB 3.48Å; Y532-S536 PolarHBondContact O-N 3.3Å; Y532-S536 PolarHBondContact O-OG 3.35Å; Y532-W1373 HydrophobicContact CD1-CB 4.33Å; Y532-W1373 HydrophobicContact CE1-CB 4.33Å; Y532-S1414 WeakPolarHBondContact OH-CB 3.42Å; Y532-S1414 PolarHBondContact OH-O 2.79Å; Y532-S1414 PolarHBondContact OH-OG 2.89Å; Y532-Q1415 HydrophobicContact CD2-CG 3.73Å; Y532-Q1415 HydrophobicContact CE1-CG 4.32Å; Y532-Q1415 HydrophobicContact CE2-CB 4.4Å; Y532-Q1415 HydrophobicContact CE2-CG 3.22Å; Y532-Q1415 HydrophobicContact CG-CG 4.48Å |
| 533 | D | 52.2 | Low | 46.6 | Very low | 60 Ų | 60 | 49.9 Ų | 49.9 | 32% | 0.321 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -61.9 | -30.5 | 177.4 | -90 | 4.9 | 0 | 0 | 0 | 113.2 | K529 I535 S536 S537 D1374 | K529-D533 PolarHBondContact O-N 2.7Å; K529-D533 VanDerWaalsContact O-N 3.16Å; D533-I535 VanDerWaalsContact C-N 3.29Å; D533-I535 PolarHBondContact O-N 2.93Å; D533-S536 WeakPolarHBondContact CA-OG 3.47Å; D533-S537 VanDerWaalsContact O-CB 3.24Å; D533-S537 WeakPolarHBondContact O-CB 3.34Å; D533-S537 PolarHBondContact O-N 3.26Å; D533-S537 VanDerWaalsContact O-N 3.15Å; D533-S537 PolarHBondContact O-OG 3.21Å; D533-D1374 WeakPolarHBondContact CB-OD2 3.46Å; D533-D1374 VanDerWaalsContact CG-OD2 3.24Å; D533-D1374 WeakPolarHBondContact OD2-CB 3.46Å; D533-D1374 VanDerWaalsContact OD2-CG 3.3Å |
| 534 | L | 52.6 | Low | 46.7 | Very low | 48 Ų | 48 | 49.9 Ų | 49.9 | 25% | 0.251 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -70.1 | -26.8 | 176 | -167.7 | 149.7 | 0 | 0 | 0 | 112.2 | I466 L470 Y530 A531 Y532 | I466-L534 HydrophobicContact CG2-CD1 4.07Å; L470-L534 HydrophobicContact CD1-CD1 3.65Å; L470-L534 HydrophobicContact CD1-CG 4.37Å; Y530-L534 WeakPolarHBondContact O-CB 3.23Å; A531-L534 PolarHBondContact O-N 2.7Å; Y532-L534 PolarHBondContact O-N 2.85Å |
| 535 | I | 50.7 | Low | 47.2 | Very low | 39 Ų | 39 | 50.7 Ų | 50.7 | 20% | 0.2 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -91.2 | -37.9 | 175.2 | -67.9 | 167.1 | 0 | 0 | 0 | 111.6 | A531 Y532 D533 L544 | A531-I535 WeakPolarHBondContact O-CD1 3.36Å; A531-I535 VanDerWaalsContact O-CG1 3.3Å; A531-I535 WeakPolarHBondContact O-CG1 3.49Å; A531-I535 PolarHBondContact O-N 2.93Å; A531-I535 VanDerWaalsContact O-N 3.16Å; Y532-I535 CarbonylContact O-C 3.56Å; Y532-I535 PolarHBondContact O-N 3.39Å; D533-I535 VanDerWaalsContact C-N 3.29Å; D533-I535 PolarHBondContact O-N 2.93Å; I535-L544 HydrophobicContact CG1-CD2 4.48Å; I535-L544 HydrophobicContact CG2-CD2 4.29Å |
| 536 | S | 45.2 | Very low | 47.6 | Very low | 35 Ų | 35 | 52.6 Ų | 52.6 | 25% | 0.245 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -76.9 | -30.1 | -172.7 | 79.1 | 0 | 0 | 0 | 0 | 113.1 | Y532 D533 C538 | Y532-S536 VanDerWaalsContact O-CB 3.27Å; Y532-S536 WeakPolarHBondContact O-CB 3.48Å; Y532-S536 PolarHBondContact O-N 3.3Å; Y532-S536 PolarHBondContact O-OG 3.35Å; D533-S536 WeakPolarHBondContact CA-OG 3.47Å; S536-C538 PolarHBondContact O-N 2.77Å; S536-C538 VanDerWaalsContact O-N 3.15Å |
| 537 | S | 47.9 | Very low | 47.7 | Very low | 89 Ų | 89 | 56.5 Ų | 56.5 | 62% | 0.622 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | -9.7 | 177.3 | 53.8 | 0 | 0 | 0 | 0 | 114.5 | D533 | D533-S537 VanDerWaalsContact O-CB 3.24Å; D533-S537 WeakPolarHBondContact O-CB 3.34Å; D533-S537 PolarHBondContact O-N 3.26Å; D533-S537 VanDerWaalsContact O-N 3.15Å; D533-S537 PolarHBondContact O-OG 3.21Å |
| 538 | C | 42.4 | Very low | 47.9 | Very low | 29 Ų | 29 | 57.1 Ų | 57.1 | 20% | 0.196 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -112 | 87.3 | 171.7 | -70.2 | 0 | 0 | 0 | 0 | 111.4 | S536 L544 | S536-C538 PolarHBondContact O-N 2.77Å; S536-C538 VanDerWaalsContact O-N 3.15Å; C538-L544 HydrophobicContact CB-CB 4.18Å; C538-L544 HydrophobicContact CB-CD1 3.62Å |
| 539 | H | 31.5 | Very low | 48.2 | Very low | 126 Ų | 126 | 56.4 Ų | 56.4 | 58% | 0.583 | 30% | 0.303 | S | S | * | . | trans | -66.5 | 137.7 | 176 | -81.7 | -38.4 | 0 | 0 | 0 | 113.8 | ||||
| 540 | I | 35.1 | Very low | 48.3 | Very low | 109 Ų | 109 | 61 Ų | 61 | 56% | 0.559 | 33% | 0.325 | S | S | * | . | S | Bend | trans | 85.6 | 141.3 | 167.6 | -55.7 | 164.4 | 0 | 0 | 0 | 115.5 | ||
| 541 | N | 38.5 | Very low | 48.3 | Very low | 125 Ų | 125 | 61.3 Ų | 61.3 | 67% | 0.668 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.8 | 152.4 | -172.2 | -68.4 | -19.1 | 0 | 0 | 0 | 114.3 | D543 | N541-D543 PolarHBondContact O-N 2.79Å; N541-D543 VanDerWaalsContact O-N 3.11Å |
| 542 | S | 43.9 | Very low | 48.2 | Very low | 77 Ų | 77 | 60.5 Ų | 60.5 | 54% | 0.538 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 69.2 | -30 | -175.4 | 76 | 0 | 0 | 0 | 0 | 116.7 | N546 | S542-N546 PolarHBondContact O-N 3.22Š|
| 543 | D | 49.6 | Very low | 48.1 | Very low | 60 Ų | 60 | 61.3 Ų | 61.3 | 32% | 0.321 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -78.1 | -31.9 | -167.9 | -141.1 | 48.5 | 0 | 0 | 0 | 114.3 | N541 V545 N546 R547 | N541-D543 PolarHBondContact O-N 2.79Å; N541-D543 VanDerWaalsContact O-N 3.11Å; D543-V545 PolarHBondContact O-N 2.76Å; D543-N546 PolarHBondContact O-N 3.35Å; D543-R547 WeakPolarHBondContact O-CB 3.41Å; D543-R547 WeakPolarHBondContact O-CG 3.42Å; D543-R547 PolarHBondContact O-N 3.25Å; D543-R547 IonicContact OD2-CZ 2.72Å; D543-R547 IonicContact OD2-NE 3.08Å; D543-R547 PolarHBondContact OD2-NE 2.77Å; D543-R547 IonicContact OD2-NH2 2.73Å; D543-R547 PolarHBondContact OD2-NH2 3.32Å |
| 544 | L | 49.1 | Very low | 47.8 | Very low | 23 Ų | 23 | 64 Ų | 64 | 12% | 0.12 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -60.8 | -45.4 | 173.9 | 180 | 82.6 | 0 | 0 | 0 | 111.9 | I535 C538 R547 L548 | I535-L544 HydrophobicContact CG1-CD2 4.48Å; I535-L544 HydrophobicContact CG2-CD2 4.29Å; C538-L544 HydrophobicContact CB-CB 4.18Å; C538-L544 HydrophobicContact CB-CD1 3.62Å; L544-R547 PolarHBondContact O-N 3.17Å; L544-L548 HydrophobicContact CD1-CD1 4.4Å; L544-L548 HydrophobicContact CG-CD1 4.15Å; L544-L548 PolarHBondContact O-N 3.46Å |
| 545 | V | 54.7 | Low | 47.5 | Very low | 23 Ų | 23 | 67 Ų | 67 | 14% | 0.139 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -63.7 | -47.8 | 179.4 | 177.8 | 0 | 0 | 0 | 0 | 109.4 | D543 R547 L548 Y549 W578 L624 | D543-V545 PolarHBondContact O-N 2.76Å; V545-R547 VanDerWaalsContact C-N 3.31Å; V545-R547 PolarHBondContact O-N 2.81Å; V545-L548 PolarHBondContact O-N 3.28Å; V545-Y549 WeakPolarHBondContact O-CB 3.38Å; V545-Y549 PolarHBondContact O-N 2.98Å; V545-W578 HydrophobicContact CG1-CZ2 3.91Å; V545-L624 HydrophobicContact CG1-CD1 3.84Å; V545-L624 HydrophobicContact CG1-CG 4.17Å |
| 546 | N | 52.6 | Low | 47.2 | Very low | 60 Ų | 60 | 67.2 Ų | 67.2 | 32% | 0.321 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -59.1 | -37.5 | 173.7 | -83 | -29.1 | 0 | 0 | 0 | 112.8 | S542 D543 Q550 | S542-N546 PolarHBondContact O-N 3.22Å; D543-N546 PolarHBondContact O-N 3.35Å; N546-Q550 WeakPolarHBondContact O-CA 3.46Å; N546-Q550 WeakPolarHBondContact O-CB 3.37Å; N546-Q550 WeakPolarHBondContact O-CG 3.37Å; N546-Q550 PolarHBondContact O-N 3.27Å |
| 547 | R | 52 | Low | 46.8 | Very low | 109 Ų | 109 | 67.8 Ų | 67.8 | 41% | 0.411 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -72 | -46.4 | 178.9 | -75.3 | 171.3 | -166.1 | -155.7 | 3.1 | 113.1 | D543 L544 V545 Y549 Q550 I551 | D543-R547 WeakPolarHBondContact O-CB 3.41Å; D543-R547 WeakPolarHBondContact O-CG 3.42Å; D543-R547 PolarHBondContact O-N 3.25Å; D543-R547 IonicContact OD2-CZ 2.72Å; D543-R547 IonicContact OD2-NE 3.08Å; D543-R547 PolarHBondContact OD2-NE 2.77Å; D543-R547 IonicContact OD2-NH2 2.73Å; D543-R547 PolarHBondContact OD2-NH2 3.32Å; L544-R547 PolarHBondContact O-N 3.17Å; V545-R547 VanDerWaalsContact C-N 3.31Å; V545-R547 PolarHBondContact O-N 2.81Å; R547-Y549 VanDerWaalsContact C-N 3.28Å; R547-Y549 PolarHBondContact O-N 3.19Å; R547-Q550 CarbonylContact O-C 3.46Å; R547-Q550 PolarHBondContact O-N 2.8Å; R547-Q550 VanDerWaalsContact O-N 3.15Å; R547-I551 WeakPolarHBondContact O-CB 3.49Å; R547-I551 WeakPolarHBondContact O-CD1 3.35Å; R547-I551 VanDerWaalsContact O-CG1 3.23Å; R547-I551 WeakPolarHBondContact O-CG1 3.38Å; R547-I551 PolarHBondContact O-N 2.89Å |
| 548 | L | 53.9 | Low | 46.3 | Very low | 47 Ų | 47 | 67.8 Ų | 67.8 | 25% | 0.246 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -62.5 | -40.5 | 175.3 | -70.7 | 172 | 0 | 0 | 0 | 110.7 | L544 V545 G552 | L544-L548 HydrophobicContact CD1-CD1 4.4Å; L544-L548 HydrophobicContact CG-CD1 4.15Å; L544-L548 PolarHBondContact O-N 3.46Å; V545-L548 PolarHBondContact O-N 3.28Å; L548-G552 PolarHBondContact O-N 3.27Å; L548-G552 VanDerWaalsContact O-N 3.13Å |
| 549 | Y | 56.3 | Low | 45.7 | Very low | 13 Ų | 13 | 75.5 Ų | 75.5 | 5% | 0.051 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -64.6 | -39.8 | 172.2 | -168.7 | -111.6 | 0 | 0 | 0 | 112.2 | V545 R547 G552 I553 Y571 R574 L575 | V545-Y549 WeakPolarHBondContact O-CB 3.38Å; V545-Y549 PolarHBondContact O-N 2.98Å; R547-Y549 VanDerWaalsContact C-N 3.28Å; R547-Y549 PolarHBondContact O-N 3.19Å; Y549-G552 CarbonylContact O-C 3.53Å; Y549-G552 WeakPolarHBondContact O-CA 3.34Å; Y549-G552 PolarHBondContact O-N 3.15Å; Y549-I553 HydrophobicContact CD1-CD1 3.54Å; Y549-I553 HydrophobicContact CD1-CG1 4.29Å; Y549-I553 HydrophobicContact CE1-CD1 3.56Å; Y549-I553 HydrophobicContact CE1-CG1 4.16Å; Y549-I553 HydrophobicContact CG-CD1 4.42Å; Y549-I553 VanDerWaalsContact O-CG1 3.31Å; Y549-I553 WeakPolarHBondContact O-CG1 3.34Å; Y549-I553 PolarHBondContact O-N 3.48Å; Y549-Y571 WeakPolarHBondContact OH-CD1 3.22Å; Y549-Y571 WeakPolarHBondContact OH-CE1 3.47Å; Y549-Y571 VanDerWaalsContact OH-CE2 3.29Å; Y549-Y571 WeakPolarHBondContact OH-CE2 3.48Å; Y549-R574 HydrophobicContact CD2-CB 4.41Å; Y549-R574 HydrophobicContact CE2-CB 3.8Å; Y549-L575 HydrophobicContact CE2-CD1 4.33Å |
| 550 | Q | 52.3 | Low | 45.4 | Very low | 98 Ų | 98 | 74.5 Ų | 74.5 | 46% | 0.458 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -70.6 | -33.7 | 176.6 | -81.8 | 178.7 | 21.5 | 0 | 0 | 114.2 | N546 R547 G552 I553 Q554 | N546-Q550 WeakPolarHBondContact O-CA 3.46Å; N546-Q550 WeakPolarHBondContact O-CB 3.37Å; N546-Q550 WeakPolarHBondContact O-CG 3.37Å; N546-Q550 PolarHBondContact O-N 3.27Å; R547-Q550 CarbonylContact O-C 3.46Å; R547-Q550 PolarHBondContact O-N 2.8Å; R547-Q550 VanDerWaalsContact O-N 3.15Å; Q550-G552 VanDerWaalsContact C-N 3.32Å; Q550-I553 HydrophobicContact CG-CD1 4.01Å; Q550-I553 WeakPolarHBondContact O-CB 3.46Å; Q550-I553 PolarHBondContact O-N 2.82Å; Q550-I553 VanDerWaalsContact O-N 3.11Å; Q550-Q554 WeakPolarHBondContact O-CG 3.23Å; Q550-Q554 PolarHBondContact O-N 2.9Å |
| 551 | I | 51.8 | Low | 45 | Very low | 56 Ų | 56 | 75.4 Ų | 75.4 | 29% | 0.287 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -60.7 | -46.4 | 170.1 | -72.1 | 159.8 | 0 | 0 | 0 | 108.7 | R547 I553 Q554 F555 | R547-I551 WeakPolarHBondContact O-CB 3.49Å; R547-I551 WeakPolarHBondContact O-CD1 3.35Å; R547-I551 VanDerWaalsContact O-CG1 3.23Å; R547-I551 WeakPolarHBondContact O-CG1 3.38Å; R547-I551 PolarHBondContact O-N 2.89Å; I551-I553 PolarHBondContact O-N 3.37Å; I551-Q554 PolarHBondContact O-N 2.91Å; I551-F555 HydrophobicContact CG2-CD2 3.98Å; I551-F555 HydrophobicContact CG2-CE2 4.12Å; I551-F555 VanDerWaalsContact O-CD2 3.31Å; I551-F555 WeakPolarHBondContact O-CD2 3.46Å; I551-F555 PolarHBondContact O-N 2.94Å |
| 552 | G | 49.6 | Very low | 44.7 | Very low | 13 Ų | 13 | 77.8 Ų | 77.8 | 13% | 0.134 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -57.5 | -43.9 | 168.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | L548 Y549 Q550 Q554 L556 | L548-G552 PolarHBondContact O-N 3.27Å; L548-G552 VanDerWaalsContact O-N 3.13Å; Y549-G552 CarbonylContact O-C 3.53Å; Y549-G552 WeakPolarHBondContact O-CA 3.34Å; Y549-G552 PolarHBondContact O-N 3.15Å; Q550-G552 VanDerWaalsContact C-N 3.32Å; G552-Q554 PolarHBondContact O-N 3.24Å; G552-L556 WeakPolarHBondContact O-CB 3.3Å; G552-L556 PolarHBondContact O-N 3.41Å |
| 553 | I | 47.8 | Very low | 43.8 | Very low | 48 Ų | 48 | 81 Ų | 81 | 25% | 0.246 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -57.1 | -49.6 | -179.8 | -74.7 | 159.5 | 0 | 0 | 0 | 111.8 | Y549 Q550 I551 R574 | Y549-I553 HydrophobicContact CD1-CD1 3.54Å; Y549-I553 HydrophobicContact CD1-CG1 4.29Å; Y549-I553 HydrophobicContact CE1-CD1 3.56Å; Y549-I553 HydrophobicContact CE1-CG1 4.16Å; Y549-I553 HydrophobicContact CG-CD1 4.42Å; Y549-I553 VanDerWaalsContact O-CG1 3.31Å; Y549-I553 WeakPolarHBondContact O-CG1 3.34Å; Y549-I553 PolarHBondContact O-N 3.48Å; Q550-I553 HydrophobicContact CG-CD1 4.01Å; Q550-I553 WeakPolarHBondContact O-CB 3.46Å; Q550-I553 PolarHBondContact O-N 2.82Å; Q550-I553 VanDerWaalsContact O-N 3.11Å; I551-I553 PolarHBondContact O-N 3.37Å; I553-R574 HydrophobicContact CG1-CG 4.22Å; I553-R574 PolarHBondContact O-NH2 3.05Å |
| 554 | Q | 45.6 | Very low | 42.7 | Very low | 117 Ų | 117 | 84.3 Ų | 84.3 | 55% | 0.547 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -74 | -33.1 | -172.5 | -71.4 | 176.4 | -26.2 | 0 | 0 | 112.9 | Q550 I551 G552 | Q550-Q554 WeakPolarHBondContact O-CG 3.23Å; Q550-Q554 PolarHBondContact O-N 2.9Å; I551-Q554 PolarHBondContact O-N 2.91Å; G552-Q554 PolarHBondContact O-N 3.24Å |
| 555 | F | 47.3 | Very low | 41.8 | Very low | 112 Ų | 112 | 87.6 Ų | 87.6 | 49% | 0.491 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -82.8 | -19.2 | 178.7 | -77.5 | -63 | 0 | 0 | 0 | 114.7 | I551 | I551-F555 HydrophobicContact CG2-CD2 3.98Å; I551-F555 HydrophobicContact CG2-CE2 4.12Å; I551-F555 VanDerWaalsContact O-CD2 3.31Å; I551-F555 WeakPolarHBondContact O-CD2 3.46Å; I551-F555 PolarHBondContact O-N 2.94Å |
| 556 | L | 45.2 | Very low | 40.6 | Very low | 43 Ų | 43 | 93.1 Ų | 93.1 | 23% | 0.225 | 50% | 0.498 | C | S | . | . | H | α-helix | trans | -112.4 | -2.6 | -169.5 | -80.2 | 159.8 | 0 | 0 | 0 | 117.4 | I500 G552 L573 | I500-L556 HydrophobicContact CD1-CD2 3.86Å; I500-L556 HydrophobicContact CD1-CG 4.11Å; G552-L556 WeakPolarHBondContact O-CB 3.3Å; G552-L556 PolarHBondContact O-N 3.41Å; L556-L573 HydrophobicContact CD1-CB 4.22Å; L556-L573 HydrophobicContact CD2-CB 4.42Å |
| 557 | C | 36.6 | Very low | 39.7 | Very low | 47 Ų | 47 | 101.2 Ų | 101.2 | 32% | 0.318 | 52% | 0.524 | S | S | . | . | trans | -159.9 | 124.7 | 166.3 | -155.9 | 0 | 0 | 0 | 0 | 114.3 | P570 | C557-P570 HydrophobicContact CB-CB 3.76Å; C557-P570 HydrophobicContact CB-CG 4.2Å | ||
| 558 | P | 36.2 | Very low | 39 | Very low | 89 Ų | 89 | 99.3 Ų | 99.3 | 58% | 0.578 | 52% | 0.522 | S | S | * | . | trans | -78.6 | 162.3 | 166.5 | 34.8 | -34.6 | 0 | 0 | 0 | 111.2 | ||||
| 559 | Q | 30.2 | Very low | 38.5 | Very low | 191 Ų | 191 | 101.4 Ų | 101.4 | 89% | 0.893 | 53% | 0.532 | S | S | * | . | trans | -139.9 | 103.3 | 160.3 | -79.5 | -160.6 | -11.7 | 0 | 0 | 113 | ||||
| 560 | S | 26.2 | Very low | 37.9 | Very low | 104 Ų | 104 | 102.1 Ų | 102.1 | 73% | 0.727 | 54% | 0.539 | S | S | * | . | S | Bend | -137.4 | 131.7 | 122.7 | 59.4 | 0 | 0 | 0 | 0 | 108.5 | |||
| 561 | T | 26.2 | Very low | 37.6 | Very low | 129 Ų | 129 | 99.7 Ų | 99.7 | 79% | 0.791 | 53% | 0.526 | S | S | * | . | trans | 52.2 | 97.8 | 166.8 | 56.5 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 562 | I | 30.9 | Very low | 37.4 | Very low | 175 Ų | 175 | 98.4 Ų | 98.4 | 90% | 0.897 | 52% | 0.521 | S | S | * | . | -156.6 | 160 | 114.8 | -102.1 | 160.8 | 0 | 0 | 0 | 109.2 | |||||
| 563 | N | 26.4 | Very low | 37.5 | Very low | 145 Ų | 145 | 101.3 Ų | 101.3 | 78% | 0.775 | 53% | 0.534 | S | S | * | . | trans | -87.3 | 152.7 | -161.5 | -77.5 | -35 | 0 | 0 | 0 | 115.3 | ||||
| 564 | V | 26.4 | Very low | 37.9 | Very low | 129 Ų | 129 | 100.8 Ų | 100.8 | 78% | 0.782 | 53% | 0.528 | S | S | * | . | S | Bend | trans | 50.6 | 130.8 | 141.9 | 178.8 | 0 | 0 | 0 | 0 | 118.8 | ||
| 565 | S | 28.7 | Very low | 38.5 | Very low | 92 Ų | 92 | 95.3 Ų | 95.3 | 64% | 0.643 | 50% | 0.503 | S | S | * | . | S | Bend | trans | 72.7 | 161.9 | -175.1 | 79.5 | 0 | 0 | 0 | 0 | 114.9 | R567 | S565-R567 PolarHBondContact O-N 3.15Š|
| 566 | H | 30.4 | Very low | 39 | Very low | 139 Ų | 139 | 92.9 Ų | 92.9 | 64% | 0.644 | 50% | 0.497 | S | S | * | . | trans | 53.7 | 41.8 | -178.8 | -59.4 | -76.8 | 0 | 0 | 0 | 117.5 | L568 I569 | H566-L568 PolarHBondContact O-N 3.12Å; H566-I569 HydrophobicContact CB-CD1 4.11Å | ||
| 567 | R | 33.2 | Very low | 39.6 | Very low | 229 Ų | 229 | 92.8 Ų | 92.8 | 86% | 0.864 | 50% | 0.5 | S | S | * | . | trans | -63.3 | -22 | 167.6 | -82.8 | -173 | 173.7 | 178.8 | -1.4 | 114.2 | S565 | S565-R567 PolarHBondContact O-N 3.15Š| ||
| 568 | L | 38.9 | Very low | 41 | Very low | 69 Ų | 69 | 91 Ų | 91 | 36% | 0.361 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -70.8 | -45 | -175.3 | -70 | 76.4 | 0 | 0 | 0 | 112.2 | H566 P570 Y571 C572 E633 | H566-L568 PolarHBondContact O-N 3.12Å; L568-P570 VanDerWaalsContact O-N 3.15Å; L568-Y571 CarbonylContact O-C 2.96Å; L568-Y571 WeakPolarHBondContact O-CA 3.48Å; L568-Y571 WeakPolarHBondContact O-CB 3.49Å; L568-Y571 PolarHBondContact O-N 2.82Å; L568-C572 PolarHBondContact O-N 3.27Å; L568-C572 PolarHBondContact O-SG 2.9Å; L568-E633 HydrophobicContact CD2-CB 4.48Å |
| 569 | I | 43.1 | Very low | 42.4 | Very low | 91 Ų | 91 | 87.5 Ų | 87.5 | 47% | 0.467 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -52.1 | -45.9 | -165 | -63.7 | 175.3 | 0 | 0 | 0 | 114.1 | H566 C572 L573 | H566-I569 HydrophobicContact CB-CD1 4.11Å; I569-C572 WeakPolarHBondContact O-CB 3.44Å; I569-L573 HydrophobicContact CG2-CD1 3.99Å; I569-L573 WeakPolarHBondContact O-CB 3.33Å; I569-L573 WeakPolarHBondContact O-CG 3.31Å; I569-L573 PolarHBondContact O-N 3.2Å |
| 570 | P | 43.7 | Very low | 43.9 | Very low | 28 Ų | 28 | 80 Ų | 80 | 18% | 0.182 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -71.8 | -30.8 | 177.3 | -14.4 | 29.9 | 0 | 0 | 0 | 112.8 | C557 L568 L573 R574 | C557-P570 HydrophobicContact CB-CB 3.76Å; C557-P570 HydrophobicContact CB-CG 4.2Å; L568-P570 VanDerWaalsContact O-N 3.15Å; P570-L573 PolarHBondContact O-N 3.1Å; P570-R574 WeakPolarHBondContact O-CB 3.46Å; P570-R574 WeakPolarHBondContact O-CD 3.49Å; P570-R574 WeakPolarHBondContact O-CG 3Å; P570-R574 PolarHBondContact O-N 2.98Å |
| 571 | Y | 45 | Very low | 45.8 | Very low | 47 Ų | 47 | 79.2 Ų | 79.2 | 18% | 0.184 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -68.9 | -45.6 | 174.5 | -138.7 | -99.5 | 0 | 0 | 0 | 110.7 | Y549 L568 L573 R574 L575 E628 R631 | Y549-Y571 WeakPolarHBondContact OH-CD1 3.22Å; Y549-Y571 WeakPolarHBondContact OH-CE1 3.47Å; Y549-Y571 VanDerWaalsContact OH-CE2 3.29Å; Y549-Y571 WeakPolarHBondContact OH-CE2 3.48Å; L568-Y571 CarbonylContact O-C 2.96Å; L568-Y571 WeakPolarHBondContact O-CA 3.48Å; L568-Y571 WeakPolarHBondContact O-CB 3.49Å; L568-Y571 PolarHBondContact O-N 2.82Å; Y571-L573 VanDerWaalsContact C-N 3.34Å; Y571-L573 PolarHBondContact O-N 2.73Å; Y571-R574 PolarHBondContact O-N 3.36Å; Y571-L575 VanDerWaalsContact O-CB 3.3Å; Y571-L575 WeakPolarHBondContact O-CB 3.33Å; Y571-L575 PolarHBondContact O-N 3.37Å; Y571-E628 VanDerWaalsContact CE1-OE1 3.32Å; Y571-E628 WeakPolarHBondContact CE1-OE1 3.45Å; Y571-E628 PolarHBondContact OH-OE1 3.17Å; Y571-R631 PolarHBondContact OH-NH1 3.01Å |
| 572 | C | 47.9 | Very low | 47.6 | Very low | 29 Ų | 29 | 73.1 Ų | 73.1 | 20% | 0.196 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -53.6 | -47.2 | 167.8 | -65.5 | 0 | 0 | 0 | 0 | 111.5 | L568 I569 L575 T576 H634 | L568-C572 PolarHBondContact O-N 3.27Å; L568-C572 PolarHBondContact O-SG 2.9Å; I569-C572 WeakPolarHBondContact O-CB 3.44Å; C572-L575 PolarHBondContact O-N 3.25Å; C572-T576 VanDerWaalsContact O-CB 3.29Å; C572-T576 WeakPolarHBondContact O-CB 3.19Å; C572-T576 VanDerWaalsContact O-CG2 3.32Å; C572-T576 WeakPolarHBondContact O-CG2 3.47Å; C572-T576 PolarHBondContact O-N 3.11Å; C572-T576 PolarHBondContact O-OG1 3.41Å; C572-H634 PolarHBondContact SG-CE1 3.43Å |
| 573 | L | 51.8 | Low | 49.3 | Very low | 75 Ų | 75 | 66.3 Ų | 66.3 | 39% | 0.393 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -68.3 | -38.2 | -179.4 | -76.5 | 166.7 | 0 | 0 | 0 | 112.1 | L556 I569 P570 Y571 T576 C577 | L556-L573 HydrophobicContact CD1-CB 4.22Å; L556-L573 HydrophobicContact CD2-CB 4.42Å; I569-L573 HydrophobicContact CG2-CD1 3.99Å; I569-L573 WeakPolarHBondContact O-CB 3.33Å; I569-L573 WeakPolarHBondContact O-CG 3.31Å; I569-L573 PolarHBondContact O-N 3.2Å; P570-L573 PolarHBondContact O-N 3.1Å; Y571-L573 VanDerWaalsContact C-N 3.34Å; Y571-L573 PolarHBondContact O-N 2.73Å; L573-T576 WeakPolarHBondContact CA-OG1 3.35Å; L573-T576 PolarHBondContact O-OG1 3.28Å; L573-C577 WeakPolarHBondContact O-CB 3.37Å; L573-C577 PolarHBondContact O-N 2.93Å; L573-C577 PolarHBondContact O-SG 2.68Å |
| 574 | R | 55.8 | Low | 51.3 | Low | 36 Ų | 36 | 61.6 Ų | 61.6 | 14% | 0.136 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -61.7 | -46.2 | 172.2 | -68 | 152.8 | -175.9 | -163.6 | -12.9 | 111.6 | Y549 I553 P570 Y571 W578 | Y549-R574 HydrophobicContact CD2-CB 4.41Å; Y549-R574 HydrophobicContact CE2-CB 3.8Å; I553-R574 HydrophobicContact CG1-CG 4.22Å; I553-R574 PolarHBondContact O-NH2 3.05Å; P570-R574 WeakPolarHBondContact O-CB 3.46Å; P570-R574 WeakPolarHBondContact O-CD 3.49Å; P570-R574 WeakPolarHBondContact O-CG 3Å; P570-R574 PolarHBondContact O-N 2.98Å; Y571-R574 PolarHBondContact O-N 3.36Å; R574-W578 WeakPolarHBondContact O-CB 3.2Å; R574-W578 PolarHBondContact O-N 2.93Å |
| 575 | L | 58.2 | Low | 53.1 | Low | 3 Ų | 3 | 57 Ų | 57 | 2% | 0.016 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -70.3 | -44.7 | -178 | -160.6 | 99.1 | 0 | 0 | 0 | 111.6 | Y549 Y571 C572 W578 C579 H634 L638 | Y549-L575 HydrophobicContact CE2-CD1 4.33Å; Y571-L575 VanDerWaalsContact O-CB 3.3Å; Y571-L575 WeakPolarHBondContact O-CB 3.33Å; Y571-L575 PolarHBondContact O-N 3.37Å; C572-L575 PolarHBondContact O-N 3.25Å; L575-W578 CarbonylContact O-C 3.51Å; L575-W578 WeakPolarHBondContact O-CB 3.32Å; L575-W578 PolarHBondContact O-N 2.88Å; L575-C579 WeakPolarHBondContact O-CB 3.47Å; L575-C579 PolarHBondContact O-N 3.2Å; L575-C579 PolarHBondContact O-SG 3.13Å; L575-H634 HydrophobicContact CD2-CB 4.47Å; L575-L638 HydrophobicContact CD1-CD1 4.49Å; L575-L638 HydrophobicContact CD1-CD2 4.16Å; L575-L638 HydrophobicContact CD1-CG 4.41Å; L575-L638 HydrophobicContact CD2-CD2 4.23Å; L575-L638 HydrophobicContact CD2-CG 4.11Å; L575-L638 HydrophobicContact CG-CD2 4.43Å |
| 576 | T | 57.4 | Low | 54.8 | Low | 60 Ų | 60 | 53 Ų | 53 | 37% | 0.368 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -71.8 | -33.1 | 177.8 | 53.8 | 0 | 0 | 0 | 0 | 112.5 | C572 L573 A580 | C572-T576 VanDerWaalsContact O-CB 3.29Å; C572-T576 WeakPolarHBondContact O-CB 3.19Å; C572-T576 VanDerWaalsContact O-CG2 3.32Å; C572-T576 WeakPolarHBondContact O-CG2 3.47Å; C572-T576 PolarHBondContact O-N 3.11Å; C572-T576 PolarHBondContact O-OG1 3.41Å; L573-T576 WeakPolarHBondContact CA-OG1 3.35Å; L573-T576 PolarHBondContact O-OG1 3.28Å; T576-A580 WeakPolarHBondContact O-CB 3.49Å; T576-A580 PolarHBondContact O-N 3.41Å |
| 577 | C | 58.6 | Low | 56.3 | Low | 42 Ų | 42 | 47.5 Ų | 47.5 | 28% | 0.284 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -62.7 | -42.4 | 166.3 | -76.8 | 0 | 0 | 0 | 0 | 111.5 | L573 A580 I581 | L573-C577 WeakPolarHBondContact O-CB 3.37Å; L573-C577 PolarHBondContact O-N 2.93Å; L573-C577 PolarHBondContact O-SG 2.68Å; C577-A580 PolarHBondContact O-N 2.98Å; C577-I581 WeakPolarHBondContact O-CB 3.47Å; C577-I581 WeakPolarHBondContact O-CD1 3.36Å; C577-I581 WeakPolarHBondContact O-CG1 3.36Å; C577-I581 PolarHBondContact O-N 3Å |
| 578 | W | 66.5 | Low | 57.6 | Low | 10 Ų | 10 | 40.5 Ų | 40.5 | 4% | 0.038 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -64 | -48 | 175.5 | -177.8 | 80 | 0 | 0 | 0 | 111.9 | V545 R574 L575 A580 I581 S582 H621 L624 L638 | V545-W578 HydrophobicContact CG1-CZ2 3.91Å; R574-W578 WeakPolarHBondContact O-CB 3.2Å; R574-W578 PolarHBondContact O-N 2.93Å; L575-W578 CarbonylContact O-C 3.51Å; L575-W578 WeakPolarHBondContact O-CB 3.32Å; L575-W578 PolarHBondContact O-N 2.88Å; W578-A580 PolarHBondContact O-N 2.93Å; W578-I581 PolarHBondContact O-N 3.01Å; W578-S582 WeakPolarHBondContact O-CB 3.31Å; W578-S582 PolarHBondContact O-N 3.42Å; W578-S582 PolarHBondContact O-OG 2.76Å; W578-H621 AromaticContact CH2-CE1 3.49Å; W578-H621 VanDerWaalsContact CH2-CE1 3.49Å; W578-H621 WeakPolarHBondContact CH2-CE1 3.48Å; W578-H621 AromaticContact CH2-CG 3.78Å; W578-H621 AromaticContact CH2-ND1 3.42Å; W578-H621 WeakPolarHBondContact CH2-ND1 3.05Å; W578-H621 AromaticContact CH2-NE2 3.92Å; W578-H621 AromaticContact CZ3-CD2 3.76Å; W578-H621 AromaticContact CZ3-CE1 3.51Å; W578-H621 AromaticContact CZ3-CG 3.95Å; W578-H621 AromaticContact CZ3-ND1 3.82Å; W578-H621 AromaticContact CZ3-NE2 3.48Å; W578-H621 WeakPolarHBondContact CZ3-NE2 3.32Å; W578-L624 HydrophobicContact CD2-CD1 4.21Å; W578-L624 HydrophobicContact CE3-CD1 3.92Å; W578-L624 HydrophobicContact CH2-CD1 3.48Å; W578-L624 VanDerWaalsContact CH2-CD1 3.48Å; W578-L624 HydrophobicContact CZ2-CD1 3.8Å; W578-L624 HydrophobicContact CZ3-CD1 3.54Å; W578-L638 HydrophobicContact CZ3-CD2 4.46Å |
| 579 | C | 65.3 | Low | 58.7 | Low | 14 Ų | 14 | 37.7 Ų | 37.7 | 10% | 0.095 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -62.6 | -38 | 176.2 | -68.4 | 0 | 0 | 0 | 0 | 112.5 | L575 S582 N583 | L575-C579 WeakPolarHBondContact O-CB 3.47Å; L575-C579 PolarHBondContact O-N 3.2Å; L575-C579 PolarHBondContact O-SG 3.13Å; C579-S582 WeakPolarHBondContact CA-OG 3.5Å; C579-S582 PolarHBondContact O-OG 3.21Å; C579-N583 WeakPolarHBondContact O-CB 3.4Å; C579-N583 PolarHBondContact O-N 2.94Å; C579-N583 PolarHBondContact O-ND2 3.17Å; C579-N583 PolarHBondContact O-OD1 3.23Å |
| 580 | A | 61.7 | Low | 59.5 | Low | 33 Ų | 33 | 34 Ų | 34 | 27% | 0.273 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -70.1 | -40.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | T576 C577 W578 N583 L584 | T576-A580 WeakPolarHBondContact O-CB 3.49Å; T576-A580 PolarHBondContact O-N 3.41Å; C577-A580 PolarHBondContact O-N 2.98Å; W578-A580 PolarHBondContact O-N 2.93Å; A580-N583 PolarHBondContact O-N 3.03Å; A580-L584 VanDerWaalsContact O-CB 3.26Å; A580-L584 WeakPolarHBondContact O-CB 3.24Å; A580-L584 PolarHBondContact O-N 3.41Å |
| 581 | I | 65.1 | Low | 60.1 | Low | 88 Ų | 88 | 37 Ų | 37 | 45% | 0.451 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -65.9 | -44.5 | 174.3 | -70.6 | 166.5 | 0 | 0 | 0 | 110.4 | C577 W578 L584 I585 | C577-I581 WeakPolarHBondContact O-CB 3.47Å; C577-I581 WeakPolarHBondContact O-CD1 3.36Å; C577-I581 WeakPolarHBondContact O-CG1 3.36Å; C577-I581 PolarHBondContact O-N 3Å; W578-I581 PolarHBondContact O-N 3.01Å; I581-L584 PolarHBondContact O-N 2.68Å; I581-I585 HydrophobicContact CG2-CD1 3.78Å; I581-I585 WeakPolarHBondContact O-CB 3.31Å; I581-I585 VanDerWaalsContact O-CG1 3.24Å; I581-I585 WeakPolarHBondContact O-CG1 3.33Å; I581-I585 PolarHBondContact O-N 2.92Å |
| 582 | S | 64.3 | Low | 60.4 | Low | 1 Ų | 1 | 36.2 Ų | 36.2 | 1% | 0.007 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -65.3 | -41.8 | 175.7 | 64 | 0 | 0 | 0 | 0 | 111.8 | W578 C579 I585 I586 | W578-S582 WeakPolarHBondContact O-CB 3.31Å; W578-S582 PolarHBondContact O-N 3.42Å; W578-S582 PolarHBondContact O-OG 2.76Å; C579-S582 WeakPolarHBondContact CA-OG 3.5Å; C579-S582 PolarHBondContact O-OG 3.21Å; S582-I585 PolarHBondContact O-N 3.31Å; S582-I586 VanDerWaalsContact O-CB 3.26Å; S582-I586 WeakPolarHBondContact O-CB 3.45Å; S582-I586 WeakPolarHBondContact O-CD1 3.24Å; S582-I586 WeakPolarHBondContact O-CG1 3.42Å; S582-I586 PolarHBondContact O-N 3.35Å |
| 583 | N | 66.7 | Low | 60.3 | Low | 32 Ų | 32 | 36.9 Ų | 36.9 | 17% | 0.171 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -67.8 | -36.1 | 178.7 | -72.2 | -10.3 | 0 | 0 | 0 | 112.2 | C579 A580 I586 S587 | C579-N583 WeakPolarHBondContact O-CB 3.4Å; C579-N583 PolarHBondContact O-N 2.94Å; C579-N583 PolarHBondContact O-ND2 3.17Å; C579-N583 PolarHBondContact O-OD1 3.23Å; A580-N583 PolarHBondContact O-N 3.03Å; N583-I586 PolarHBondContact O-N 3.49Å; N583-S587 WeakPolarHBondContact O-CB 3.33Å; N583-S587 PolarHBondContact O-N 3.07Å; N583-S587 PolarHBondContact O-OG 2.58Å |
| 584 | L | 67.6 | Low | 59.6 | Low | 46 Ų | 46 | 39 Ų | 39 | 24% | 0.241 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -69 | -40 | 173.2 | 179 | 140 | 0 | 0 | 0 | 111.9 | Y507 L510 A580 I581 S587 L588 | Y507-L584 HydrophobicContact CD2-CB 4.36Å; Y507-L584 HydrophobicContact CD2-CD1 3.76Å; Y507-L584 HydrophobicContact CE2-CB 4.26Å; Y507-L584 HydrophobicContact CE2-CD1 4.37Å; L510-L584 HydrophobicContact CD1-CD1 4.25Å; A580-L584 VanDerWaalsContact O-CB 3.26Å; A580-L584 WeakPolarHBondContact O-CB 3.24Å; A580-L584 PolarHBondContact O-N 3.41Å; I581-L584 PolarHBondContact O-N 2.68Å; L584-S587 PolarHBondContact O-OG 2.83Å; L584-L588 HydrophobicContact CD2-CD1 3.77Å; L584-L588 HydrophobicContact CG-CD1 4.27Å; L584-L588 WeakPolarHBondContact O-CB 3.47Å; L584-L588 WeakPolarHBondContact O-CD1 3.32Å; L584-L588 VanDerWaalsContact O-CG 3.23Å; L584-L588 WeakPolarHBondContact O-CG 3.49Å; L584-L588 PolarHBondContact O-N 3.44Å; L584-L588 VanDerWaalsContact O-N 3.15Å |
| 585 | I | 64.5 | Low | 58.8 | Low | 33 Ų | 33 | 40.2 Ų | 40.2 | 17% | 0.169 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -64.3 | -43.7 | 173.2 | -69.9 | 167.2 | 0 | 0 | 0 | 110.2 | I581 S582 L588 L589 F617 | I581-I585 HydrophobicContact CG2-CD1 3.78Å; I581-I585 WeakPolarHBondContact O-CB 3.31Å; I581-I585 VanDerWaalsContact O-CG1 3.24Å; I581-I585 WeakPolarHBondContact O-CG1 3.33Å; I581-I585 PolarHBondContact O-N 2.92Å; S582-I585 PolarHBondContact O-N 3.31Å; I585-L588 PolarHBondContact O-N 2.94Å; I585-L589 HydrophobicContact CG2-CD1 3.95Å; I585-L589 HydrophobicContact CG2-CG 4.45Å; I585-L589 VanDerWaalsContact O-CG 3.24Å; I585-L589 WeakPolarHBondContact O-CG 3.45Å; I585-L589 PolarHBondContact O-N 2.84Å; I585-F617 HydrophobicContact CB-CZ 4.47Å; I585-F617 HydrophobicContact CD1-CZ 4.35Å; I585-F617 HydrophobicContact CG2-CE2 3.88Å; I585-F617 HydrophobicContact CG2-CZ 4.09Å |
| 586 | I | 65.5 | Low | 58 | Low | 7 Ų | 7 | 43.5 Ų | 43.5 | 4% | 0.036 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -71.2 | -36.2 | -178.3 | -69.8 | 166.9 | 0 | 0 | 0 | 112.2 | S582 N583 L589 L590 F617 L645 | S582-I586 VanDerWaalsContact O-CB 3.26Å; S582-I586 WeakPolarHBondContact O-CB 3.45Å; S582-I586 WeakPolarHBondContact O-CD1 3.24Å; S582-I586 WeakPolarHBondContact O-CG1 3.42Å; S582-I586 PolarHBondContact O-N 3.35Å; N583-I586 PolarHBondContact O-N 3.49Å; I586-L589 PolarHBondContact O-N 3.28Å; I586-L590 HydrophobicContact CG2-CD1 3.62Å; I586-L590 HydrophobicContact CG2-CG 4.14Å; I586-L590 WeakPolarHBondContact O-CB 3.36Å; I586-L590 WeakPolarHBondContact O-CG 3.5Å; I586-L590 PolarHBondContact O-N 3.31Å; I586-F617 HydrophobicContact CD1-CB 3.83Å; I586-F617 HydrophobicContact CD1-CD2 3.94Å; I586-F617 HydrophobicContact CD1-CG 3.86Å; I586-F617 HydrophobicContact CG1-CD2 3.94Å; I586-F617 HydrophobicContact CG1-CE2 4.38Å; I586-F617 HydrophobicContact CG1-CG 4.38Å; I586-L645 HydrophobicContact CD1-CD1 3.62Å; I586-L645 HydrophobicContact CD1-CG 3.99Å |
| 587 | S | 61.4 | Low | 56.7 | Low | 24 Ų | 24 | 47.7 Ų | 47.7 | 17% | 0.168 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -68 | -38.6 | 174.7 | 67.1 | 0 | 0 | 0 | 0 | 111.7 | N583 L584 L589 N591 | N583-S587 WeakPolarHBondContact O-CB 3.33Å; N583-S587 PolarHBondContact O-N 3.07Å; N583-S587 PolarHBondContact O-OG 2.58Å; L584-S587 PolarHBondContact O-OG 2.83Å; S587-L589 VanDerWaalsContact C-N 3.31Å; S587-L589 PolarHBondContact O-N 3.18Å; S587-N591 WeakPolarHBondContact O-CB 3.45Å; S587-N591 PolarHBondContact O-N 3.41Å; S587-N591 VanDerWaalsContact O-N 3.09Å |
| 588 | L | 61.4 | Low | 55.3 | Low | 82 Ų | 82 | 50 Ų | 50 | 43% | 0.429 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -65.2 | -30 | 170.6 | -72.5 | 170.1 | 0 | 0 | 0 | 113.1 | L584 I585 T592 | L584-L588 HydrophobicContact CD2-CD1 3.77Å; L584-L588 HydrophobicContact CG-CD1 4.27Å; L584-L588 WeakPolarHBondContact O-CB 3.47Å; L584-L588 WeakPolarHBondContact O-CD1 3.32Å; L584-L588 VanDerWaalsContact O-CG 3.23Å; L584-L588 WeakPolarHBondContact O-CG 3.49Å; L584-L588 PolarHBondContact O-N 3.44Å; L584-L588 VanDerWaalsContact O-N 3.15Å; I585-L588 PolarHBondContact O-N 2.94Å; L588-T592 WeakPolarHBondContact O-CG2 3.15Å |
| 589 | L | 60.4 | Low | 53.7 | Low | 11 Ų | 11 | 55.4 Ų | 55.4 | 6% | 0.058 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -76.1 | -47.5 | 174.9 | -74.3 | 170.1 | 0 | 0 | 0 | 112.4 | L528 I585 I586 S587 T592 Q610 | L528-L589 HydrophobicContact CD2-CD2 3.4Å; I585-L589 HydrophobicContact CG2-CD1 3.95Å; I585-L589 HydrophobicContact CG2-CG 4.45Å; I585-L589 VanDerWaalsContact O-CG 3.24Å; I585-L589 WeakPolarHBondContact O-CG 3.45Å; I585-L589 PolarHBondContact O-N 2.84Å; I586-L589 PolarHBondContact O-N 3.28Å; S587-L589 VanDerWaalsContact C-N 3.31Å; S587-L589 PolarHBondContact O-N 3.18Å; L589-T592 PolarHBondContact O-OG1 3.07Å; L589-T592 VanDerWaalsContact O-OG1 3.06Å; L589-Q610 PolarHBondContact O-NE2 2.97Å |
| 590 | L | 60 | Low | 52.3 | Low | 13 Ų | 13 | 57 Ų | 57 | 7% | 0.068 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -89.4 | -26.5 | -167.8 | -68.1 | 179.5 | 0 | 0 | 0 | 115 | I586 T592 V614 K648 F652 | I586-L590 HydrophobicContact CG2-CD1 3.62Å; I586-L590 HydrophobicContact CG2-CG 4.14Å; I586-L590 WeakPolarHBondContact O-CB 3.36Å; I586-L590 WeakPolarHBondContact O-CG 3.5Å; I586-L590 PolarHBondContact O-N 3.31Å; L590-T592 PolarHBondContact O-N 2.96Å; L590-T592 VanDerWaalsContact O-N 3.09Å; L590-V614 HydrophobicContact CD2-CG2 4.43Å; L590-K648 HydrophobicContact CD1-CB 4.21Å; L590-F652 HydrophobicContact CB-CE2 4.33Å; L590-F652 VanDerWaalsContact O-CE2 3.25Å; L590-F652 WeakPolarHBondContact O-CE2 3.38Å; L590-F652 WeakPolarHBondContact O-CZ 3.14Å |
| 591 | N | 56.1 | Low | 51.3 | Low | 90 Ų | 90 | 56 Ų | 56 | 48% | 0.481 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | 16.2 | -177.3 | -72.4 | 1.9 | 0 | 0 | 0 | 113.9 | S587 K648 | S587-N591 WeakPolarHBondContact O-CB 3.45Å; S587-N591 PolarHBondContact O-N 3.41Å; S587-N591 VanDerWaalsContact O-N 3.09Å; N591-K648 PolarHBondContact OD1-NZ 3.02Å |
| 592 | T | 53.1 | Low | 50.1 | Low | 31 Ų | 31 | 51.8 Ų | 51.8 | 19% | 0.19 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.7 | 4.4 | -166.8 | 55.4 | 0 | 0 | 0 | 0 | 115.7 | T524 L588 L589 L590 S1390 C1392 | T524-T592 HydrophobicContact CG2-CG2 4.19Å; L588-T592 WeakPolarHBondContact O-CG2 3.15Å; L589-T592 PolarHBondContact O-OG1 3.07Å; L589-T592 VanDerWaalsContact O-OG1 3.06Å; L590-T592 PolarHBondContact O-N 2.96Å; L590-T592 VanDerWaalsContact O-N 3.09Å; T592-S1390 PolarHBondContact O-OG 3.11Å; T592-C1392 PolarHBondContact O-SG 3.3Å |
| 593 | T | 44.4 | Very low | 49.1 | Very low | 44 Ų | 44 | 53.6 Ų | 53.6 | 27% | 0.27 | 31% | 0.312 | S | S | . | . | trans | -141.7 | 84.2 | -161.3 | 37 | 0 | 0 | 0 | 0 | 113.4 | F652 | T593-F652 WeakPolarHBondContact O-CE1 3.42Å; T593-F652 VanDerWaalsContact OG1-CE1 3.28Å; T593-F652 WeakPolarHBondContact OG1-CE1 3.47Å; T593-F652 WeakPolarHBondContact OG1-CZ 3.39Å | ||
| 594 | S | 38.2 | Very low | 48.2 | Very low | 119 Ų | 119 | 53.1 Ų | 53.1 | 83% | 0.832 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -129.4 | 8.2 | 171.3 | 60.3 | 0 | 0 | 0 | 0 | 115 | ||
| 595 | S | 38.5 | Very low | 47.1 | Very low | 62 Ų | 62 | 51 Ų | 51 | 43% | 0.434 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -154.8 | 57.5 | 179.4 | 48.5 | 0 | 0 | 0 | 0 | 112.5 | H1389 | S595-H1389 PolarHBondContact O-CE1 2.96Å; S595-H1389 PolarHBondContact OG-CE1 2.87Å; S595-H1389 PolarHBondContact OG-NE2 3.25Å |
| 596 | F | 42 | Very low | 46.5 | Very low | 71 Ų | 71 | 50 Ų | 50 | 31% | 0.311 | 29% | 0.294 | S | S | . | . | trans | -137.3 | 71.7 | 168.3 | -80.5 | -73.4 | 0 | 0 | 0 | 109.3 | H1389 C1392 T1395 | F596-H1389 AromaticContact CD2-CE1 3.97Å; F596-H1389 AromaticContact CE2-CE1 3.4Å; F596-H1389 WeakPolarHBondContact CE2-CE1 3.29Å; F596-H1389 AromaticContact CE2-ND1 3.13Å; F596-H1389 WeakPolarHBondContact CE2-ND1 3.42Å; F596-H1389 AromaticContact CZ-CE1 3.6Å; F596-H1389 AromaticContact CZ-ND1 3.29Å; F596-H1389 VanDerWaalsContact CZ-ND1 3.29Å; F596-H1389 WeakPolarHBondContact CZ-ND1 3.48Å; F596-C1392 HydrophobicContact CD2-CB 3.86Å; F596-C1392 HydrophobicContact CE2-CB 3.36Å; F596-C1392 HydrophobicContact CZ-CB 3.79Å; F596-T1395 VanDerWaalsContact C-CG2 3.48Å; F596-T1395 HydrophobicContact CB-CG2 3.9Å; F596-T1395 HydrophobicContact CD1-CG2 3.75Å; F596-T1395 HydrophobicContact CG-CG2 4.33Å | ||
| 597 | D | 29.4 | Very low | 46 | Very low | 148 Ų | 148 | 53.2 Ų | 53.2 | 79% | 0.791 | 31% | 0.306 | S | S | * | . | trans | -102.8 | 153.1 | 168.9 | -95.2 | -39.1 | 0 | 0 | 0 | 110.2 | T1395 | D597-T1395 WeakPolarHBondContact O-CG2 3.26Š| ||
| 598 | S | 29.6 | Very low | 45.5 | Very low | 91 Ų | 91 | 53.6 Ų | 53.6 | 64% | 0.636 | 31% | 0.305 | S | S | * | . | S | Bend | trans | 71.2 | 118.3 | 178.8 | 56.7 | 0 | 0 | 0 | 0 | 118.4 | T1395 | S598-T1395 WeakPolarHBondContact O-CB 3.08Å; S598-T1395 WeakPolarHBondContact O-CG2 3.22Å |
| 599 | D | 32.1 | Very low | 45.3 | Very low | 124 Ų | 124 | 50.6 Ų | 50.6 | 66% | 0.663 | 29% | 0.29 | S | S | * | . | trans | 66.3 | 134.8 | 153 | -60.4 | -24.8 | 0 | 0 | 0 | 122.9 | T1395 D1396 | D599-T1395 CarbonylContact O-C 2.97Å; D599-D1396 WeakPolarHBondContact O-CA 3.47Å; D599-D1396 WeakPolarHBondContact O-CB 3.17Å; D599-D1396 PolarHBondContact O-N 2.93Å | ||
| 600 | T | 37 | Very low | 45.4 | Very low | 48 Ų | 48 | 51.1 Ų | 51.1 | 29% | 0.294 | 29% | 0.293 | S | S | . | . | trans | 49.6 | 177.5 | -173.5 | 103 | 0 | 0 | 0 | 0 | 115.2 | N603 T1395 D1396 W1397 K1398 | T600-N603 PolarHBondContact O-ND2 2.95Å; T600-T1395 CarbonylContact C-O 3.57Å; T600-D1396 WeakPolarHBondContact CB-OD1 3.49Å; T600-D1396 VanDerWaalsContact CG2-OD1 3.23Å; T600-D1396 WeakPolarHBondContact CG2-OD1 3.27Å; T600-D1396 WeakPolarHBondContact CG2-OD2 3.23Å; T600-D1396 WeakPolarHBondContact OG1-CA 3.47Å; T600-D1396 VanDerWaalsContact OG1-CG 3.29Å; T600-D1396 PolarHBondContact OG1-OD1 3.19Å; T600-W1397 PolarHBondContact OG1-N 2.89Å; T600-K1398 HydrophobicContact CG2-CD 3.8Å; T600-K1398 HydrophobicContact CG2-CG 4.3Å | ||
| 601 | G | 39.8 | Very low | 45.4 | Very low | 11 Ų | 11 | 50.7 Ų | 50.7 | 11% | 0.113 | 29% | 0.29 | C | S | . | . | S | Bend | cis | -167.7 | -93.7 | 1.5 | 0 | 0 | 0 | 0 | 0 | 105.7 | N603 E1423 | G601-N603 PolarHBondContact O-N 3.21Å; G601-E1423 VanDerWaalsContact O-CB 3.28Å; G601-E1423 WeakPolarHBondContact O-CB 3.34Å |
| 602 | D | 40.6 | Very low | 45.8 | Very low | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -66.4 | 48.9 | 166.8 | -30.9 | -7.2 | 0 | 0 | 0 | 111.3 | W1397 S1405 R1420 I1424 A1427 Q1428 | D602-W1397 HydrophobicContact CB-CB 3.95Å; D602-W1397 HydrophobicContact CB-CD2 3.27Å; D602-W1397 HydrophobicContact CB-CE3 3.5Å; D602-W1397 VanDerWaalsContact CB-CE3 3.5Å; D602-W1397 HydrophobicContact CB-CG 3.5Å; D602-W1397 VanDerWaalsContact CB-CG 3.5Å; D602-W1397 HydrophobicContact CB-CH2 3.97Å; D602-W1397 HydrophobicContact CB-CZ2 3.9Å; D602-W1397 HydrophobicContact CB-CZ3 3.8Å; D602-W1397 VanDerWaalsContact CG-CD2 3.45Å; D602-W1397 VanDerWaalsContact CG-CG 3.47Å; D602-W1397 VanDerWaalsContact N-CD1 3.26Å; D602-W1397 VanDerWaalsContact N-CG 3.26Å; D602-W1397 WeakPolarHBondContact O-CZ2 3.35Å; D602-W1397 PolarHBondContact O-NE1 3.37Å; D602-W1397 WeakPolarHBondContact OD1-CB 3.18Å; D602-W1397 WeakPolarHBondContact OD2-CZ3 3.46Å; D602-S1405 WeakPolarHBondContact OD2-CB 3.42Å; D602-S1405 PolarHBondContact OD2-OG 2.98Å; D602-R1420 WeakPolarHBondContact O-CD 3.47Å; D602-R1420 WeakPolarHBondContact O-CG 3.44Å; D602-R1420 PolarHBondContact O-NE 3.21Å; D602-I1424 VanDerWaalsContact CB-CA 3.42Å; D602-I1424 HydrophobicContact CB-CB 3.81Å; D602-I1424 HydrophobicContact CB-CD1 3.69Å; D602-I1424 HydrophobicContact CB-CG1 3.64Å; D602-I1424 HydrophobicContact CB-CG2 4.06Å; D602-A1427 WeakPolarHBondContact OD1-CB 3.2Å; D602-Q1428 PolarHBondContact OD1-NE2 3.21Å; D602-Q1428 PolarHBondContact OD2-NE2 3.46Å |
| 603 | N | 44 | Very low | 46.2 | Very low | 38 Ų | 38 | 50 Ų | 50 | 20% | 0.203 | 28% | 0.282 | C | S | . | . | trans | -109.8 | 2.7 | -157.8 | -121.2 | -8.6 | 0 | 0 | 0 | 123.2 | T600 G601 P1394 T1395 W1397 R1420 E1423 | T600-N603 PolarHBondContact O-ND2 2.95Å; G601-N603 PolarHBondContact O-N 3.21Å; N603-P1394 PolarHBondContact ND2-O 2.93Å; N603-P1394 PolarHBondContact OD1-O 2.72Å; N603-T1395 PolarHBondContact ND2-O 3.47Å; N603-W1397 PolarHBondContact ND2-NE1 3.44Å; N603-W1397 PolarHBondContact OD1-NE1 3.14Å; N603-W1397 VanDerWaalsContact OD1-NE1 3.11Å; N603-R1420 VanDerWaalsContact CA-NH2 3.26Å; N603-R1420 PolarHBondContact O-NH1 3.34Å; N603-R1420 PolarHBondContact O-NH2 3.17Å; N603-R1420 PolarHBondContact OD1-NH2 3.34Å; N603-E1423 VanDerWaalsContact CA-OE2 3.3Å; N603-E1423 WeakPolarHBondContact CA-OE2 3.41Å; N603-E1423 PolarHBondContact N-OE2 3.13Å | ||
| 604 | D | 46.2 | Very low | 47.4 | Very low | 22 Ų | 22 | 47.9 Ų | 47.9 | 12% | 0.118 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -97.2 | -21.2 | 179.8 | -123.8 | 35.3 | 0 | 0 | 0 | 120.3 | R607 L608 R1420 E1423 | D604-R607 CarbonylContact O-C 3.55Å; D604-R607 VanDerWaalsContact O-CA 3.23Å; D604-R607 WeakPolarHBondContact O-CA 3.48Å; D604-R607 WeakPolarHBondContact O-CB 3.07Å; D604-R607 PolarHBondContact O-N 3.11Å; D604-R607 WeakPolarHBondContact OD1-CD 3.24Å; D604-R607 IonicContact OD1-CZ 2.78Å; D604-R607 IonicContact OD1-NE 3.76Å; D604-R607 IonicContact OD1-NH1 3.42Å; D604-R607 PolarHBondContact OD1-NH1 3.01Å; D604-L608 HydrophobicContact CB-CD1 3.84Å; D604-L608 VanDerWaalsContact O-CD1 3.22Å; D604-L608 WeakPolarHBondContact O-CD1 3.17Å; D604-L608 PolarHBondContact O-N 3.41Å; D604-L608 WeakPolarHBondContact OD2-CD1 3.16Å; D604-R1420 HydrophobicContact CB-CB 3.7Å; D604-E1423 HydrophobicContact CB-CG 4.38Å; D604-E1423 WeakPolarHBondContact CB-OE2 3.49Å; D604-E1423 PolarHBondContact N-OE2 3.41Å |
| 605 | E | 45.6 | Very low | 49 | Very low | 1 Ų | 1 | 45.4 Ų | 45.4 | 1% | 0.005 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -70 | -59.4 | -172.8 | -47.6 | 155.6 | 131.9 | 0 | 0 | 111.4 | R607 L608 V609 W1408 L1409 A1412 D1417 R1420 | E605-R607 CarbonylContact O-C 3.59Å; E605-R607 PolarHBondContact O-N 2.66Å; E605-L608 CarbonylContact O-C 3.51Å; E605-L608 PolarHBondContact O-N 3.35Å; E605-V609 VanDerWaalsContact O-CB 3.3Å; E605-V609 WeakPolarHBondContact O-CB 3.41Å; E605-V609 VanDerWaalsContact O-CG2 3.25Å; E605-V609 WeakPolarHBondContact O-CG2 3.41Å; E605-V609 PolarHBondContact O-N 3.41Å; E605-W1408 VanDerWaalsContact OE1-O 3.12Å; E605-L1409 WeakPolarHBondContact OE1-CA 3.32Å; E605-A1412 HydrophobicContact CB-CB 3.29Å; E605-A1412 HydrophobicContact CG-CB 3.34Å; E605-A1412 WeakPolarHBondContact OE1-CA 3.38Å; E605-A1412 WeakPolarHBondContact OE1-CB 3.3Å; E605-A1412 PolarHBondContact OE1-N 2.93Å; E605-D1417 VanDerWaalsContact CA-CG 3.43Å; E605-D1417 WeakPolarHBondContact CA-OD1 3.46Å; E605-D1417 VanDerWaalsContact CA-OD2 3.25Å; E605-D1417 WeakPolarHBondContact CA-OD2 3.45Å; E605-D1417 HydrophobicContact CB-CB 4.15Å; E605-D1417 HydrophobicContact CG-CB 4.41Å; E605-R1420 HydrophobicContact CB-CB 3.84Å; E605-R1420 HydrophobicContact CB-CG 4.04Å; E605-R1420 HydrophobicContact CG-CB 3.43Å; E605-R1420 VanDerWaalsContact CG-CB 3.43Å; E605-R1420 HydrophobicContact CG-CG 3.65Å; E605-R1420 VanDerWaalsContact OE2-CD 3.32Å; E605-R1420 WeakPolarHBondContact OE2-CD 3.45Å |
| 606 | L | 51.6 | Low | 50.3 | Low | 14 Ų | 14 | 44.6 Ų | 44.6 | 7% | 0.073 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -52 | -30.7 | 172.7 | -155.9 | 118.1 | 0 | 0 | 0 | 112.8 | L528 Q610 P1393 W1408 | L528-L606 HydrophobicContact CD1-CD1 3.72Å; L528-L606 HydrophobicContact CD1-CD2 4.21Å; L528-L606 HydrophobicContact CD1-CG 4.32Å; L606-Q610 VanDerWaalsContact O-CB 3.31Å; L606-Q610 WeakPolarHBondContact O-CB 3.38Å; L606-Q610 WeakPolarHBondContact O-CG 3.5Å; L606-Q610 PolarHBondContact O-N 2.86Å; L606-Q610 PolarHBondContact O-OE1 3.4Å; L606-P1393 HydrophobicContact CB-CG 3.93Å; L606-P1393 HydrophobicContact CD2-CG 4.18Å; L606-P1393 HydrophobicContact CG-CG 4.46Å; L606-W1408 HydrophobicContact CD1-CE3 4.24Å; L606-W1408 HydrophobicContact CD1-CH2 3.22Å; L606-W1408 HydrophobicContact CD1-CZ2 4.26Å; L606-W1408 HydrophobicContact CD1-CZ3 3.21Å |
| 607 | R | 53.8 | Low | 51.6 | Low | 74 Ų | 74 | 41.9 Ų | 41.9 | 28% | 0.279 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -61.3 | -62.6 | 166.5 | -114.6 | -173.7 | -176.6 | -175.7 | -2.9 | 110.1 | D604 E605 V609 Q610 E611 L654 | D604-R607 CarbonylContact O-C 3.55Å; D604-R607 VanDerWaalsContact O-CA 3.23Å; D604-R607 WeakPolarHBondContact O-CA 3.48Å; D604-R607 WeakPolarHBondContact O-CB 3.07Å; D604-R607 PolarHBondContact O-N 3.11Å; D604-R607 WeakPolarHBondContact OD1-CD 3.24Å; D604-R607 IonicContact OD1-CZ 2.78Å; D604-R607 IonicContact OD1-NE 3.76Å; D604-R607 IonicContact OD1-NH1 3.42Å; D604-R607 PolarHBondContact OD1-NH1 3.01Å; E605-R607 CarbonylContact O-C 3.59Å; E605-R607 PolarHBondContact O-N 2.66Å; R607-V609 VanDerWaalsContact C-N 3.25Å; R607-V609 PolarHBondContact O-N 2.79Å; R607-Q610 CarbonylContact O-C 3.41Å; R607-Q610 WeakPolarHBondContact O-CA 3.46Å; R607-Q610 WeakPolarHBondContact O-CB 3.35Å; R607-Q610 PolarHBondContact O-N 3.37Å; R607-E611 WeakPolarHBondContact O-CG 3.41Å; R607-E611 PolarHBondContact O-N 3.24Å; R607-L654 HydrophobicContact CG-CD1 3.8Å; R607-L654 HydrophobicContact CG-CD2 3.77Å; R607-L654 HydrophobicContact CG-CG 4.29Å |
| 608 | L | 52.8 | Low | 53.7 | Low | 31 Ų | 31 | 34.9 Ų | 34.9 | 16% | 0.162 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -73.4 | -7.9 | 179.5 | -38.5 | 112.4 | 0 | 0 | 0 | 114.2 | D604 E605 E611 F612 D1417 C1419 | D604-L608 HydrophobicContact CB-CD1 3.84Å; D604-L608 VanDerWaalsContact O-CD1 3.22Å; D604-L608 WeakPolarHBondContact O-CD1 3.17Å; D604-L608 PolarHBondContact O-N 3.41Å; D604-L608 WeakPolarHBondContact OD2-CD1 3.16Å; E605-L608 CarbonylContact O-C 3.51Å; E605-L608 PolarHBondContact O-N 3.35Å; L608-E611 WeakPolarHBondContact CD2-OE2 3.24Å; L608-E611 WeakPolarHBondContact CG-OE2 3.38Å; L608-F612 VanDerWaalsContact O-CA 3.29Å; L608-F612 WeakPolarHBondContact O-CA 3.37Å; L608-F612 WeakPolarHBondContact O-CB 3.38Å; L608-F612 PolarHBondContact O-N 2.83Å; L608-D1417 WeakPolarHBondContact CA-OD2 3.45Å; L608-D1417 VanDerWaalsContact CB-OD2 3.26Å; L608-D1417 WeakPolarHBondContact CB-OD2 3.09Å; L608-D1417 WeakPolarHBondContact CD1-OD1 3.45Å; L608-C1419 HydrophobicContact CD1-CB 3.58Å |
| 609 | V | 57 | Low | 55.6 | Low | 19 Ų | 19 | 32.4 Ų | 32.4 | 12% | 0.115 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -81.5 | -39.7 | 166.1 | 169 | 0 | 0 | 0 | 0 | 109.3 | E605 R607 S613 A1412 Q1415 D1417 | E605-V609 VanDerWaalsContact O-CB 3.3Å; E605-V609 WeakPolarHBondContact O-CB 3.41Å; E605-V609 VanDerWaalsContact O-CG2 3.25Å; E605-V609 WeakPolarHBondContact O-CG2 3.41Å; E605-V609 PolarHBondContact O-N 3.41Å; R607-V609 VanDerWaalsContact C-N 3.25Å; R607-V609 PolarHBondContact O-N 2.79Å; V609-S613 WeakPolarHBondContact O-CB 3.19Å; V609-S613 PolarHBondContact O-N 2.98Å; V609-S613 PolarHBondContact O-OG 3.12Å; V609-A1412 HydrophobicContact CG2-CB 4.05Å; V609-Q1415 HydrophobicContact CG2-CB 3.72Å; V609-Q1415 VanDerWaalsContact CG2-CD 3.46Å; V609-Q1415 HydrophobicContact CG2-CG 4.03Å; V609-D1417 HydrophobicContact CG2-CB 4.37Å; V609-D1417 WeakPolarHBondContact CG2-OD2 3.31Å; V609-D1417 PolarHBondContact N-OD2 3.21Å; V609-D1417 VanDerWaalsContact N-OD2 3.16Å |
| 610 | Q | 61.4 | Low | 57.2 | Low | 22 Ų | 22 | 26.8 Ų | 26.8 | 10% | 0.103 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -63.1 | -50 | 166.1 | -77.3 | 167.6 | -41.4 | 0 | 0 | 109.3 | L589 L606 R607 F612 S613 V614 | L589-Q610 PolarHBondContact O-NE2 2.97Å; L606-Q610 VanDerWaalsContact O-CB 3.31Å; L606-Q610 WeakPolarHBondContact O-CB 3.38Å; L606-Q610 WeakPolarHBondContact O-CG 3.5Å; L606-Q610 PolarHBondContact O-N 2.86Å; L606-Q610 PolarHBondContact O-OE1 3.4Å; R607-Q610 CarbonylContact O-C 3.41Å; R607-Q610 WeakPolarHBondContact O-CA 3.46Å; R607-Q610 WeakPolarHBondContact O-CB 3.35Å; R607-Q610 PolarHBondContact O-N 3.37Å; Q610-F612 PolarHBondContact O-N 3.47Å; Q610-S613 PolarHBondContact O-N 3.02Å; Q610-V614 WeakPolarHBondContact O-CB 3.11Å; Q610-V614 WeakPolarHBondContact O-CG2 3.49Å; Q610-V614 PolarHBondContact O-N 3.46Å |
| 611 | E | 59.9 | Low | 59.1 | Low | 4 Ų | 4 | 24.5 Ų | 24.5 | 2% | 0.019 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -64.1 | -39.2 | 178.3 | -60.3 | 177.8 | 154 | 0 | 0 | 112.8 | R607 L608 V614 W615 F655 N658 L661 | R607-E611 WeakPolarHBondContact O-CG 3.41Å; R607-E611 PolarHBondContact O-N 3.24Å; L608-E611 WeakPolarHBondContact CD2-OE2 3.24Å; L608-E611 WeakPolarHBondContact CG-OE2 3.38Å; E611-V614 CarbonylContact O-C 3.59Å; E611-W615 WeakPolarHBondContact O-CB 3.36Å; E611-W615 PolarHBondContact O-N 2.97Å; E611-F655 HydrophobicContact CB-CE2 4.48Å; E611-F655 HydrophobicContact CB-CZ 4.05Å; E611-F655 HydrophobicContact CG-CE2 3.81Å; E611-F655 HydrophobicContact CG-CZ 3.76Å; E611-N658 PolarHBondContact OE1-ND2 3.42Å; E611-N658 PolarHBondContact OE2-ND2 2.87Å; E611-N658 VanDerWaalsContact OE2-ND2 3.08Å; E611-L661 HydrophobicContact CB-CD2 3.5Å; E611-L661 HydrophobicContact CG-CD2 3.66Å; E611-L661 WeakPolarHBondContact OE2-CD2 3.39Å |
| 612 | F | 64.5 | Low | 60.6 | Low | 90 Ų | 90 | 24.5 Ų | 24.5 | 40% | 0.395 | 12% | 0.118 | S | C | . | . | H | α-helix | trans | -80.1 | -31.9 | 179.6 | -171.3 | -109.2 | 0 | 0 | 0 | 112.1 | L608 Q610 W615 I616 | L608-F612 VanDerWaalsContact O-CA 3.29Å; L608-F612 WeakPolarHBondContact O-CA 3.37Å; L608-F612 WeakPolarHBondContact O-CB 3.38Å; L608-F612 PolarHBondContact O-N 2.83Å; Q610-F612 PolarHBondContact O-N 3.47Å; F612-W615 HydrophobicContact CD2-CD2 4.37Å; F612-W615 AromaticContact CD2-CE3 3.92Å; F612-W615 HydrophobicContact CD2-CE3 3.92Å; F612-W615 HydrophobicContact CD2-CZ3 4.4Å; F612-W615 HydrophobicContact CE2-CD2 4.5Å; F612-W615 AromaticContact CE2-CE3 3.75Å; F612-W615 HydrophobicContact CE2-CE3 3.75Å; F612-W615 AromaticContact CE2-CZ3 3.77Å; F612-W615 HydrophobicContact CE2-CZ3 3.77Å; F612-W615 HydrophobicContact CZ-CZ3 4.35Å; F612-W615 PolarHBondContact O-N 3.24Å; F612-I616 HydrophobicContact CD1-CD1 3.73Å; F612-I616 HydrophobicContact CD1-CG1 4.37Å; F612-I616 HydrophobicContact CE1-CD1 3.58Å; F612-I616 HydrophobicContact CE1-CG1 4.26Å; F612-I616 HydrophobicContact CZ-CD1 4.26Å; F612-I616 WeakPolarHBondContact O-CB 3.46Å; F612-I616 VanDerWaalsContact O-CG1 3.25Å; F612-I616 WeakPolarHBondContact O-CG1 3.32Å; F612-I616 PolarHBondContact O-N 3.27Å |
| 613 | S | 62.5 | Low | 61.9 | Low | 16 Ų | 16 | 26.9 Ų | 26.9 | 11% | 0.112 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -66 | -43.9 | 167.5 | -60.2 | 0 | 0 | 0 | 0 | 110.1 | V609 Q610 W615 I616 F617 | V609-S613 WeakPolarHBondContact O-CB 3.19Å; V609-S613 PolarHBondContact O-N 2.98Å; V609-S613 PolarHBondContact O-OG 3.12Å; Q610-S613 PolarHBondContact O-N 3.02Å; S613-W615 VanDerWaalsContact C-N 3.34Å; S613-W615 PolarHBondContact O-N 2.95Å; S613-I616 PolarHBondContact O-N 2.73Å; S613-F617 WeakPolarHBondContact O-CD2 3.44Å; S613-F617 PolarHBondContact O-N 3.31Å |
| 614 | V | 69.7 | Low | 63.1 | Low | 1 Ų | 1 | 25.4 Ų | 25.4 | 1% | 0.006 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -59.1 | -44.4 | 171.2 | 162.5 | 0 | 0 | 0 | 0 | 110.8 | L590 Q610 E611 F617 V618 L645 I649 F655 | L590-V614 HydrophobicContact CD2-CG2 4.43Å; Q610-V614 WeakPolarHBondContact O-CB 3.11Å; Q610-V614 WeakPolarHBondContact O-CG2 3.49Å; Q610-V614 PolarHBondContact O-N 3.46Å; E611-V614 CarbonylContact O-C 3.59Å; V614-F617 PolarHBondContact O-N 3.23Å; V614-V618 HydrophobicContact CG1-CG2 4.22Å; V614-V618 WeakPolarHBondContact O-CB 3.42Å; V614-V618 VanDerWaalsContact O-CG2 3.25Å; V614-V618 WeakPolarHBondContact O-CG2 3.38Å; V614-V618 PolarHBondContact O-N 3.03Å; V614-L645 HydrophobicContact CG1-CD2 4.38Å; V614-I649 HydrophobicContact CG1-CD1 3.38Å; V614-I649 HydrophobicContact CG1-CG1 3.85Å; V614-F655 HydrophobicContact CG1-CZ 4.16Å |
| 615 | W | 70.7 | Confident | 64.3 | Low | 67 Ų | 67 | 24.6 Ų | 24.6 | 25% | 0.254 | 12% | 0.122 | S | C | . | . | H | α-helix | trans | -65.4 | -37 | 176.8 | -176 | 98.6 | 0 | 0 | 0 | 112 | E611 F612 S613 N619 | E611-W615 WeakPolarHBondContact O-CB 3.36Å; E611-W615 PolarHBondContact O-N 2.97Å; F612-W615 HydrophobicContact CD2-CD2 4.37Å; F612-W615 AromaticContact CD2-CE3 3.92Å; F612-W615 HydrophobicContact CD2-CE3 3.92Å; F612-W615 HydrophobicContact CD2-CZ3 4.4Å; F612-W615 HydrophobicContact CE2-CD2 4.5Å; F612-W615 AromaticContact CE2-CE3 3.75Å; F612-W615 HydrophobicContact CE2-CE3 3.75Å; F612-W615 AromaticContact CE2-CZ3 3.77Å; F612-W615 HydrophobicContact CE2-CZ3 3.77Å; F612-W615 HydrophobicContact CZ-CZ3 4.35Å; F612-W615 PolarHBondContact O-N 3.24Å; S613-W615 VanDerWaalsContact C-N 3.34Å; S613-W615 PolarHBondContact O-N 2.95Å; W615-N619 VanDerWaalsContact CD2-ND2 3.27Å; W615-N619 WeakPolarHBondContact CZ2-ND2 3.4Å; W615-N619 PolarHBondContact NE1-ND2 3.21Å; W615-N619 WeakPolarHBondContact O-CB 3.22Å; W615-N619 PolarHBondContact O-N 3.39Å |
| 616 | I | 65.3 | Low | 65.4 | Low | 45 Ų | 45 | 27.7 Ų | 27.7 | 23% | 0.231 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -65.2 | -43 | 171.8 | -76.3 | 168.7 | 0 | 0 | 0 | 110.6 | F612 S613 G620 | F612-I616 HydrophobicContact CD1-CD1 3.73Å; F612-I616 HydrophobicContact CD1-CG1 4.37Å; F612-I616 HydrophobicContact CE1-CD1 3.58Å; F612-I616 HydrophobicContact CE1-CG1 4.26Å; F612-I616 HydrophobicContact CZ-CD1 4.26Å; F612-I616 WeakPolarHBondContact O-CB 3.46Å; F612-I616 VanDerWaalsContact O-CG1 3.25Å; F612-I616 WeakPolarHBondContact O-CG1 3.32Å; F612-I616 PolarHBondContact O-N 3.27Å; S613-I616 PolarHBondContact O-N 2.73Å; I616-G620 WeakPolarHBondContact O-CA 3.24Å; I616-G620 PolarHBondContact O-N 3.05Å |
| 617 | F | 70.9 | Confident | 66 | Low | 14 Ų | 14 | 31.2 Ų | 31.2 | 6% | 0.061 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -71.4 | -38.1 | 176.9 | -78.1 | -66.2 | 0 | 0 | 0 | 112.3 | I585 I586 S613 V614 G620 H621 L645 | I585-F617 HydrophobicContact CB-CZ 4.47Å; I585-F617 HydrophobicContact CD1-CZ 4.35Å; I585-F617 HydrophobicContact CG2-CE2 3.88Å; I585-F617 HydrophobicContact CG2-CZ 4.09Å; I586-F617 HydrophobicContact CD1-CB 3.83Å; I586-F617 HydrophobicContact CD1-CD2 3.94Å; I586-F617 HydrophobicContact CD1-CG 3.86Å; I586-F617 HydrophobicContact CG1-CD2 3.94Å; I586-F617 HydrophobicContact CG1-CE2 4.38Å; I586-F617 HydrophobicContact CG1-CG 4.38Å; S613-F617 WeakPolarHBondContact O-CD2 3.44Å; S613-F617 PolarHBondContact O-N 3.31Å; V614-F617 PolarHBondContact O-N 3.23Å; F617-G620 PolarHBondContact O-N 3.41Å; F617-H621 PolarHBondContact O-N 3.1Å; F617-H621 PolarHBondContact O-ND1 3.33Å; F617-L645 HydrophobicContact CB-CD1 4.42Å |
| 618 | V | 72.3 | Confident | 66.5 | Low | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -64.8 | -53 | 173.9 | 167.4 | 0 | 0 | 0 | 0 | 110.5 | V614 G620 H621 I622 L645 I649 I665 T669 | V614-V618 HydrophobicContact CG1-CG2 4.22Å; V614-V618 WeakPolarHBondContact O-CB 3.42Å; V614-V618 VanDerWaalsContact O-CG2 3.25Å; V614-V618 WeakPolarHBondContact O-CG2 3.38Å; V614-V618 PolarHBondContact O-N 3.03Å; V618-G620 PolarHBondContact O-N 3.07Å; V618-H621 WeakPolarHBondContact O-CB 3.16Å; V618-H621 PolarHBondContact O-N 3.34Å; V618-I622 HydrophobicContact CG1-CD1 3.72Å; V618-I622 VanDerWaalsContact O-CG1 3.27Å; V618-I622 WeakPolarHBondContact O-CG1 3.28Å; V618-I622 PolarHBondContact O-N 3.34Å; V618-L645 HydrophobicContact CG2-CD2 3.58Å; V618-I649 HydrophobicContact CG2-CD1 4.19Å; V618-I665 HydrophobicContact CG1-CG2 4.32Å; V618-T669 HydrophobicContact CG1-CG2 4.4Å |
| 619 | N | 69.8 | Low | 66.6 | Low | 39 Ų | 39 | 29.4 Ų | 29.4 | 21% | 0.209 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -69 | -23.1 | 176.4 | -75.1 | -19.4 | 0 | 0 | 0 | 112.7 | W615 S623 S668 | W615-N619 VanDerWaalsContact CD2-ND2 3.27Å; W615-N619 WeakPolarHBondContact CZ2-ND2 3.4Å; W615-N619 PolarHBondContact NE1-ND2 3.21Å; W615-N619 WeakPolarHBondContact O-CB 3.22Å; W615-N619 PolarHBondContact O-N 3.39Å; N619-S623 WeakPolarHBondContact O-CB 3.47Å; N619-S623 PolarHBondContact O-N 3.15Å; N619-S668 PolarHBondContact OD1-OG 3.19Å |
| 620 | G | 66.7 | Low | 66.4 | Low | 6 Ų | 6 | 33.5 Ų | 33.5 | 6% | 0.062 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -67.8 | -47.5 | 169.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | I616 F617 V618 S623 L624 | I616-G620 WeakPolarHBondContact O-CA 3.24Å; I616-G620 PolarHBondContact O-N 3.05Å; F617-G620 PolarHBondContact O-N 3.41Å; V618-G620 PolarHBondContact O-N 3.07Å; G620-S623 PolarHBondContact O-N 3.38Å; G620-L624 WeakPolarHBondContact O-CB 3.13Å; G620-L624 WeakPolarHBondContact O-CG 3.31Å; G620-L624 PolarHBondContact O-N 2.9Å |
| 621 | H | 75.2 | Confident | 66.2 | Low | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -60.2 | -45 | 170.2 | -79.4 | 83.4 | 0 | 0 | 0 | 111.2 | W578 F617 V618 S623 L624 L625 S641 L642 | W578-H621 AromaticContact CH2-CE1 3.49Å; W578-H621 VanDerWaalsContact CH2-CE1 3.49Å; W578-H621 WeakPolarHBondContact CH2-CE1 3.48Å; W578-H621 AromaticContact CH2-CG 3.78Å; W578-H621 AromaticContact CH2-ND1 3.42Å; W578-H621 WeakPolarHBondContact CH2-ND1 3.05Å; W578-H621 AromaticContact CH2-NE2 3.92Å; W578-H621 AromaticContact CZ3-CD2 3.76Å; W578-H621 AromaticContact CZ3-CE1 3.51Å; W578-H621 AromaticContact CZ3-CG 3.95Å; W578-H621 AromaticContact CZ3-ND1 3.82Å; W578-H621 AromaticContact CZ3-NE2 3.48Å; W578-H621 WeakPolarHBondContact CZ3-NE2 3.32Å; F617-H621 PolarHBondContact O-N 3.1Å; F617-H621 PolarHBondContact O-ND1 3.33Å; V618-H621 WeakPolarHBondContact O-CB 3.16Å; V618-H621 PolarHBondContact O-N 3.34Å; H621-S623 PolarHBondContact O-N 3.12Å; H621-L624 PolarHBondContact O-N 3.25Å; H621-L625 WeakPolarHBondContact O-CB 3.46Å; H621-L625 WeakPolarHBondContact O-CD1 3.35Å; H621-L625 WeakPolarHBondContact O-CG 3.43Å; H621-L625 PolarHBondContact O-N 3.19Å; H621-S641 PolarHBondContact CD2-OG 3.28Å; H621-S641 PolarHBondContact NE2-OG 3.4Å; H621-L642 HydrophobicContact CB-CD1 3.63Å |
| 622 | I | 71.3 | Confident | 65.9 | Low | 12 Ų | 12 | 39.6 Ų | 39.6 | 6% | 0.062 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -63.7 | -39.9 | 177 | -66.6 | 164.4 | 0 | 0 | 0 | 111.6 | V618 L625 V626 L642 T669 T672 | V618-I622 HydrophobicContact CG1-CD1 3.72Å; V618-I622 VanDerWaalsContact O-CG1 3.27Å; V618-I622 WeakPolarHBondContact O-CG1 3.28Å; V618-I622 PolarHBondContact O-N 3.34Å; I622-L625 WeakPolarHBondContact O-CB 3.42Å; I622-L625 PolarHBondContact O-N 3.38Å; I622-V626 HydrophobicContact CG2-CG2 4.39Å; I622-V626 WeakPolarHBondContact O-CB 3.42Å; I622-V626 VanDerWaalsContact O-CG2 3.26Å; I622-V626 WeakPolarHBondContact O-CG2 3.4Å; I622-V626 PolarHBondContact O-N 3.16Å; I622-L642 HydrophobicContact CG1-CD1 4.31Å; I622-T669 HydrophobicContact CD1-CG2 3.73Å; I622-T672 HydrophobicContact CG2-CG2 3.61Å; I622-T672 WeakPolarHBondContact CG2-OG1 3.5Å |
| 623 | S | 67.8 | Low | 65.6 | Low | 49 Ų | 49 | 40.6 Ų | 40.6 | 34% | 0.343 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -66.5 | -39.2 | 176.1 | -174.6 | 0 | 0 | 0 | 0 | 111.8 | N619 G620 H621 V626 N627 | N619-S623 WeakPolarHBondContact O-CB 3.47Å; N619-S623 PolarHBondContact O-N 3.15Å; G620-S623 PolarHBondContact O-N 3.38Å; H621-S623 PolarHBondContact O-N 3.12Å; S623-V626 PolarHBondContact O-N 2.89Å; S623-N627 WeakPolarHBondContact O-CB 3.29Å; S623-N627 PolarHBondContact O-N 3.39Å; S623-N627 PolarHBondContact O-ND2 3.07Å |
| 624 | L | 70 | Confident | 65.5 | Low | 8 Ų | 8 | 40.5 Ų | 40.5 | 4% | 0.042 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -65.5 | -44.8 | 171.2 | -76.3 | 165.6 | 0 | 0 | 0 | 111.7 | V545 W578 G620 H621 V626 N627 E628 L638 | V545-L624 HydrophobicContact CG1-CD1 3.84Å; V545-L624 HydrophobicContact CG1-CG 4.17Å; W578-L624 HydrophobicContact CD2-CD1 4.21Å; W578-L624 HydrophobicContact CE3-CD1 3.92Å; W578-L624 HydrophobicContact CH2-CD1 3.48Å; W578-L624 VanDerWaalsContact CH2-CD1 3.48Å; W578-L624 HydrophobicContact CZ2-CD1 3.8Å; W578-L624 HydrophobicContact CZ3-CD1 3.54Å; G620-L624 WeakPolarHBondContact O-CB 3.13Å; G620-L624 WeakPolarHBondContact O-CG 3.31Å; G620-L624 PolarHBondContact O-N 2.9Å; H621-L624 PolarHBondContact O-N 3.25Å; L624-V626 VanDerWaalsContact C-N 3.28Å; L624-V626 PolarHBondContact O-N 3.04Å; L624-N627 PolarHBondContact O-N 3.46Å; L624-E628 WeakPolarHBondContact O-CB 3.45Å; L624-E628 WeakPolarHBondContact O-CG 3.23Å; L624-E628 PolarHBondContact O-N 3.11Å; L624-L638 HydrophobicContact CB-CD1 4.39Å |
| 625 | L | 71.7 | Confident | 65.5 | Low | 5 Ų | 5 | 40.5 Ų | 40.5 | 3% | 0.026 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -57.2 | -39.4 | 173.5 | -74.6 | 163.7 | 0 | 0 | 0 | 112.1 | H621 I622 L629 L635 L638 L639 L642 | H621-L625 WeakPolarHBondContact O-CB 3.46Å; H621-L625 WeakPolarHBondContact O-CD1 3.35Å; H621-L625 WeakPolarHBondContact O-CG 3.43Å; H621-L625 PolarHBondContact O-N 3.19Å; I622-L625 WeakPolarHBondContact O-CB 3.42Å; I622-L625 PolarHBondContact O-N 3.38Å; L625-L629 PolarHBondContact O-N 2.88Å; L625-L629 VanDerWaalsContact O-N 3.12Å; L625-L635 HydrophobicContact CD2-CD2 3.3Å; L625-L635 HydrophobicContact CD2-CG 4.44Å; L625-L638 HydrophobicContact CD2-CB 3.58Å; L625-L638 HydrophobicContact CD2-CD1 4.13Å; L625-L638 HydrophobicContact CD2-CG 4.5Å; L625-L638 HydrophobicContact CG-CB 4.12Å; L625-L638 HydrophobicContact CG-CD1 4.35Å; L625-L639 HydrophobicContact CD1-CD2 4.42Å; L625-L639 HydrophobicContact CD2-CD2 4.3Å; L625-L639 HydrophobicContact CD2-CG 4.17Å; L625-L642 HydrophobicContact CD1-CD2 4.2Å |
| 626 | V | 68.2 | Low | 65.4 | Low | 65 Ų | 65 | 39.1 Ų | 39.1 | 39% | 0.394 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -75.7 | -30.9 | 178.4 | 168.4 | 0 | 0 | 0 | 0 | 112.6 | I622 S623 L624 L629 T672 | I622-V626 HydrophobicContact CG2-CG2 4.39Å; I622-V626 WeakPolarHBondContact O-CB 3.42Å; I622-V626 VanDerWaalsContact O-CG2 3.26Å; I622-V626 WeakPolarHBondContact O-CG2 3.4Å; I622-V626 PolarHBondContact O-N 3.16Å; S623-V626 PolarHBondContact O-N 2.89Å; L624-V626 VanDerWaalsContact C-N 3.28Å; L624-V626 PolarHBondContact O-N 3.04Å; V626-L629 WeakPolarHBondContact O-CB 3.43Å; V626-T672 HydrophobicContact CG2-CG2 4.19Å |
| 627 | N | 64.9 | Low | 65.6 | Low | 89 Ų | 89 | 41 Ų | 41 | 48% | 0.476 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -78.4 | -42.6 | 174.9 | -69.8 | -27.7 | 0 | 0 | 0 | 112 | S623 L624 L629 T630 | S623-N627 WeakPolarHBondContact O-CB 3.29Å; S623-N627 PolarHBondContact O-N 3.39Å; S623-N627 PolarHBondContact O-ND2 3.07Å; L624-N627 PolarHBondContact O-N 3.46Å; N627-L629 PolarHBondContact O-N 3.42Å; N627-T630 PolarHBondContact O-OG1 2.96Å; N627-T630 VanDerWaalsContact O-OG1 3.05Å |
| 628 | E | 63.8 | Low | 65.6 | Low | 14 Ų | 14 | 40.3 Ų | 40.3 | 7% | 0.065 | 21% | 0.21 | C | C | . | . | G | 310 helix | trans | -80.2 | 6 | 177 | -58.2 | -66 | 170.7 | 0 | 0 | 112.9 | Y571 L624 T630 R631 | Y571-E628 VanDerWaalsContact CE1-OE1 3.32Å; Y571-E628 WeakPolarHBondContact CE1-OE1 3.45Å; Y571-E628 PolarHBondContact OH-OE1 3.17Å; L624-E628 WeakPolarHBondContact O-CB 3.45Å; L624-E628 WeakPolarHBondContact O-CG 3.23Å; L624-E628 PolarHBondContact O-N 3.11Å; E628-T630 PolarHBondContact O-N 2.9Å; E628-R631 CarbonylContact O-C 3.52Å; E628-R631 VanDerWaalsContact O-C 3.29Å; E628-R631 PolarHBondContact O-N 3.49Å; E628-R631 WeakPolarHBondContact OE2-CB 3.35Å; E628-R631 WeakPolarHBondContact OE2-CD 3.48Å; E628-R631 IonicContact OE2-NH1 3.57Å |
| 629 | L | 55 | Low | 65.8 | Low | 52 Ų | 52 | 40.3 Ų | 40.3 | 27% | 0.272 | 21% | 0.21 | S | C | . | . | G | 310 helix | trans | -51 | -21.9 | 160 | -93.9 | 171.5 | 0 | 0 | 0 | 112.7 | L625 V626 N627 L676 | L625-L629 PolarHBondContact O-N 2.88Å; L625-L629 VanDerWaalsContact O-N 3.12Å; V626-L629 WeakPolarHBondContact O-CB 3.43Å; N627-L629 PolarHBondContact O-N 3.42Å; L629-L676 HydrophobicContact CD2-CB 4.37Å; L629-L676 HydrophobicContact CD2-CD1 3.64Å; L629-L676 HydrophobicContact CD2-CG 3.67Å; L629-L676 HydrophobicContact CG-CD1 3.95Å; L629-L676 HydrophobicContact CG-CG 4.47Å |
| 630 | T | 52.9 | Low | 66 | Low | 106 Ų | 106 | 42 Ų | 42 | 65% | 0.65 | 22% | 0.219 | S | C | * | . | G | 310 helix | trans | -84.6 | -7.2 | 175.7 | 60.3 | 0 | 0 | 0 | 0 | 114.2 | N627 E628 | N627-T630 PolarHBondContact O-OG1 2.96Å; N627-T630 VanDerWaalsContact O-OG1 3.05Å; E628-T630 PolarHBondContact O-N 2.9Å |
| 631 | R | 56.2 | Low | 66.2 | Low | 135 Ų | 135 | 42.2 Ų | 42.2 | 51% | 0.509 | 22% | 0.219 | S | C | . | . | trans | -147.5 | 84.9 | -174.3 | -61.5 | -175.3 | -173.3 | 148.5 | 0.7 | 111.1 | Y571 E628 E633 | Y571-R631 PolarHBondContact OH-NH1 3.01Å; E628-R631 CarbonylContact O-C 3.52Å; E628-R631 VanDerWaalsContact O-C 3.29Å; E628-R631 PolarHBondContact O-N 3.49Å; E628-R631 WeakPolarHBondContact OE2-CB 3.35Å; E628-R631 WeakPolarHBondContact OE2-CD 3.48Å; E628-R631 IonicContact OE2-NH1 3.57Å; R631-E633 PolarHBondContact O-N 2.89Å; R631-E633 VanDerWaalsContact O-N 3.1Å | ||
| 632 | V | 53.6 | Low | 66.3 | Low | 19 Ų | 19 | 42.2 Ų | 42.2 | 12% | 0.115 | 22% | 0.22 | C | C | . | . | G | 310 helix | trans | -72.1 | -10.4 | -162.7 | -169.6 | 0 | 0 | 0 | 0 | 113.9 | H634 L635 L680 Y691 I699 | V632-H634 VanDerWaalsContact C-N 3.34Å; V632-H634 PolarHBondContact O-N 3.33Å; V632-L635 HydrophobicContact CB-CD1 4.35Å; V632-L635 HydrophobicContact CG1-CD1 3.8Å; V632-L635 PolarHBondContact O-N 3.27Å; V632-L680 HydrophobicContact CG1-CD2 4.45Å; V632-Y691 HydrophobicContact CB-CD1 4.08Å; V632-Y691 HydrophobicContact CB-CE1 3.58Å; V632-Y691 HydrophobicContact CB-CE2 4.06Å; V632-Y691 HydrophobicContact CG1-CD1 4.47Å; V632-Y691 HydrophobicContact CG1-CE1 4.43Å; V632-Y691 HydrophobicContact CG2-CD2 4.36Å; V632-Y691 HydrophobicContact CG2-CE1 4.23Å; V632-Y691 HydrophobicContact CG2-CE2 3.76Å; V632-Y691 PolarHBondContact N-OH 3.09Å; V632-I699 HydrophobicContact CG1-CD1 3.97Å |
| 633 | E | 59 | Low | 66.7 | Low | 111 Ų | 111 | 44.3 Ų | 44.3 | 52% | 0.519 | 23% | 0.229 | S | C | . | . | G | 310 helix | trans | -64.3 | -28 | -172.3 | -61.2 | -175.8 | 152.7 | 0 | 0 | 114.9 | L568 R631 Y691 | L568-E633 HydrophobicContact CD2-CB 4.48Å; R631-E633 PolarHBondContact O-N 2.89Å; R631-E633 VanDerWaalsContact O-N 3.1Å; E633-Y691 HydrophobicContact CG-CE1 4.09Å |
| 634 | H | 61 | Low | 67 | Low | 13 Ų | 13 | 46.7 Ų | 46.7 | 6% | 0.06 | 23% | 0.231 | C | C | . | . | G | 310 helix | trans | -106.3 | 7.2 | -178.1 | -62.2 | -61.9 | 0 | 0 | 0 | 114.3 | C572 L575 V632 D636 E637 L638 | C572-H634 PolarHBondContact SG-CE1 3.43Å; L575-H634 HydrophobicContact CD2-CB 4.47Å; V632-H634 VanDerWaalsContact C-N 3.34Å; V632-H634 PolarHBondContact O-N 3.33Å; H634-D636 VanDerWaalsContact C-N 3.25Å; H634-D636 PolarHBondContact O-N 3.49Å; H634-E637 IonicContact CE1-OE2 3.99Å; H634-E637 IonicContact CG-OE2 3.29Å; H634-E637 IonicContact ND1-OE2 3.71Å; H634-E637 PolarHBondContact ND1-OE2 3.17Å; H634-E637 PolarHBondContact O-N 3.08Å; H634-L638 PolarHBondContact O-N 3.15Å |
| 635 | L | 68.9 | Low | 67.1 | Low | 1 Ų | 1 | 46.4 Ų | 46.4 | 1% | 0.005 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -61.2 | -35.3 | 179.4 | -106.3 | 162.3 | 0 | 0 | 0 | 112.3 | L625 V632 L639 L676 I699 | L625-L635 HydrophobicContact CD2-CD2 3.3Å; L625-L635 HydrophobicContact CD2-CG 4.44Å; V632-L635 HydrophobicContact CB-CD1 4.35Å; V632-L635 HydrophobicContact CG1-CD1 3.8Å; V632-L635 PolarHBondContact O-N 3.27Å; L635-L639 HydrophobicContact CD2-CD1 4.22Å; L635-L639 HydrophobicContact CD2-CG 4.44Å; L635-L639 VanDerWaalsContact O-CB 3.3Å; L635-L639 WeakPolarHBondContact O-CB 3.27Å; L635-L639 WeakPolarHBondContact O-CD1 3.49Å; L635-L639 WeakPolarHBondContact O-CG 3.09Å; L635-L639 PolarHBondContact O-N 3.29Å; L635-L676 HydrophobicContact CD2-CD1 3.83Å; L635-L676 HydrophobicContact CD2-CD2 4.2Å; L635-I699 HydrophobicContact CB-CD1 3.78Å; L635-I699 HydrophobicContact CB-CG1 4.4Å |
| 636 | D | 69.6 | Low | 67.1 | Low | 39 Ų | 39 | 46.6 Ų | 46.6 | 21% | 0.209 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -69.9 | -39 | -176.4 | -148.1 | 56.5 | 0 | 0 | 0 | 111.9 | H634 L639 D640 K702 | H634-D636 VanDerWaalsContact C-N 3.25Å; H634-D636 PolarHBondContact O-N 3.49Å; D636-L639 PolarHBondContact O-N 3.18Å; D636-D640 PolarHBondContact O-N 2.87Å; D636-K702 WeakPolarHBondContact OD1-CD 3.28Å; D636-K702 WeakPolarHBondContact OD1-CE 3.39Å; D636-K702 IonicContact OD1-NZ 3.21Å; D636-K702 PolarHBondContact OD1-NZ 3.46Å; D636-K702 IonicContact OD2-NZ 3.78Å; D636-K702 PolarHBondContact OD2-NZ 2.69Å |
| 637 | E | 68 | Low | 67.5 | Low | 83 Ų | 83 | 46.4 Ų | 46.4 | 39% | 0.388 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -69.9 | -39.3 | 177 | -61.1 | 174.9 | 121.1 | 0 | 0 | 112 | H634 D640 S641 | H634-E637 IonicContact CE1-OE2 3.99Å; H634-E637 IonicContact CG-OE2 3.29Å; H634-E637 IonicContact ND1-OE2 3.71Å; H634-E637 PolarHBondContact ND1-OE2 3.17Å; H634-E637 PolarHBondContact O-N 3.08Å; E637-D640 PolarHBondContact O-N 3.48Å; E637-S641 PolarHBondContact O-N 2.87Å |
| 638 | L | 71.5 | Confident | 67.5 | Low | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -69.7 | -34.2 | 173.3 | -77.8 | 172.1 | 0 | 0 | 0 | 112.6 | L575 W578 L624 L625 H634 S641 L642 | L575-L638 HydrophobicContact CD1-CD1 4.49Å; L575-L638 HydrophobicContact CD1-CD2 4.16Å; L575-L638 HydrophobicContact CD1-CG 4.41Å; L575-L638 HydrophobicContact CD2-CD2 4.23Å; L575-L638 HydrophobicContact CD2-CG 4.11Å; L575-L638 HydrophobicContact CG-CD2 4.43Å; W578-L638 HydrophobicContact CZ3-CD2 4.46Å; L624-L638 HydrophobicContact CB-CD1 4.39Å; L625-L638 HydrophobicContact CD2-CB 3.58Å; L625-L638 HydrophobicContact CD2-CD1 4.13Å; L625-L638 HydrophobicContact CD2-CG 4.5Å; L625-L638 HydrophobicContact CG-CB 4.12Å; L625-L638 HydrophobicContact CG-CD1 4.35Å; H634-L638 PolarHBondContact O-N 3.15Å; L638-S641 PolarHBondContact O-OG 2.79Å; L638-L642 VanDerWaalsContact O-CB 3.24Å; L638-L642 WeakPolarHBondContact O-CB 3.39Å; L638-L642 PolarHBondContact O-N 2.95Å |
| 639 | L | 76.5 | Confident | 67.6 | Low | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -72.4 | -33.7 | 174.9 | -74.8 | 168.7 | 0 | 0 | 0 | 111.5 | L625 L635 D636 H643 L673 I699 I703 I706 | L625-L639 HydrophobicContact CD1-CD2 4.42Å; L625-L639 HydrophobicContact CD2-CD2 4.3Å; L625-L639 HydrophobicContact CD2-CG 4.17Å; L635-L639 HydrophobicContact CD2-CD1 4.22Å; L635-L639 HydrophobicContact CD2-CG 4.44Å; L635-L639 VanDerWaalsContact O-CB 3.3Å; L635-L639 WeakPolarHBondContact O-CB 3.27Å; L635-L639 WeakPolarHBondContact O-CD1 3.49Å; L635-L639 WeakPolarHBondContact O-CG 3.09Å; L635-L639 PolarHBondContact O-N 3.29Å; D636-L639 PolarHBondContact O-N 3.18Å; L639-H643 WeakPolarHBondContact O-CB 3.44Å; L639-H643 PolarHBondContact O-N 3.14Å; L639-L673 HydrophobicContact CD2-CD2 3.9Å; L639-I699 HydrophobicContact CD1-CG2 3.92Å; L639-I703 HydrophobicContact CD1-CG1 4.25Å; L639-I706 HydrophobicContact CB-CD1 4.36Å; L639-I706 HydrophobicContact CD2-CD1 3.85Å |
| 640 | D | 74.4 | Confident | 67.9 | Low | 75 Ų | 75 | 46.1 Ų | 46.1 | 40% | 0.401 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -69.9 | -41 | 173.5 | -77 | -18.2 | 0 | 0 | 0 | 112.6 | D636 E637 H643 Y644 K702 | D636-D640 PolarHBondContact O-N 2.87Å; E637-D640 PolarHBondContact O-N 3.48Å; D640-H643 PolarHBondContact O-N 2.83Å; D640-Y644 WeakPolarHBondContact O-CB 3.2Å; D640-Y644 PolarHBondContact O-N 2.84Å; D640-K702 WeakPolarHBondContact OD1-CD 3.15Å; D640-K702 WeakPolarHBondContact OD1-CE 3.15Å; D640-K702 IonicContact OD1-NZ 3.63Å; D640-K702 PolarHBondContact OD1-NZ 3Å; D640-K702 IonicContact OD2-NZ 3.92Å; D640-K702 PolarHBondContact OD2-NZ 2.75Å |
| 641 | S | 71.5 | Confident | 68.2 | Low | 10 Ų | 10 | 45.2 Ų | 45.2 | 7% | 0.07 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -66.3 | -41.7 | 173.6 | 69.6 | 0 | 0 | 0 | 0 | 111.4 | H621 E637 L638 H643 Y644 L645 | H621-S641 PolarHBondContact CD2-OG 3.28Å; H621-S641 PolarHBondContact NE2-OG 3.4Å; E637-S641 PolarHBondContact O-N 2.87Å; L638-S641 PolarHBondContact O-OG 2.79Å; S641-H643 VanDerWaalsContact C-N 3.35Å; S641-H643 PolarHBondContact O-N 3.39Å; S641-Y644 PolarHBondContact O-N 2.94Å; S641-L645 WeakPolarHBondContact O-CB 3.46Å; S641-L645 PolarHBondContact O-N 3.35Å |
| 642 | L | 77.1 | Confident | 68.3 | Low | 1 Ų | 1 | 40.9 Ų | 40.9 | 1% | 0.005 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -61.1 | -41.1 | 172.5 | -167.6 | 90.4 | 0 | 0 | 0 | 111.8 | H621 I622 L625 L638 L645 L646 I706 | H621-L642 HydrophobicContact CB-CD1 3.63Å; I622-L642 HydrophobicContact CG1-CD1 4.31Å; L625-L642 HydrophobicContact CD1-CD2 4.2Å; L638-L642 VanDerWaalsContact O-CB 3.24Å; L638-L642 WeakPolarHBondContact O-CB 3.39Å; L638-L642 PolarHBondContact O-N 2.95Å; L642-L645 PolarHBondContact O-N 3.4Å; L642-L646 HydrophobicContact CD2-CD1 4.1Å; L642-L646 HydrophobicContact CG-CD1 4.04Å; L642-L646 WeakPolarHBondContact O-CB 3.43Å; L642-L646 VanDerWaalsContact O-CG 3.27Å; L642-L646 WeakPolarHBondContact O-CG 3.15Å; L642-L646 PolarHBondContact O-N 3.34Å; L642-I706 HydrophobicContact CD2-CD1 4.48Å |
| 643 | H | 78.5 | Confident | 68.2 | Low | 56 Ų | 56 | 44.3 Ų | 44.3 | 26% | 0.259 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -66.6 | -48.3 | 178.9 | -175.8 | 74.4 | 0 | 0 | 0 | 111.4 | L639 D640 S641 L645 L646 V647 I706 | L639-H643 WeakPolarHBondContact O-CB 3.44Å; L639-H643 PolarHBondContact O-N 3.14Å; D640-H643 PolarHBondContact O-N 2.83Å; S641-H643 VanDerWaalsContact C-N 3.35Å; S641-H643 PolarHBondContact O-N 3.39Å; H643-L645 VanDerWaalsContact C-N 3.29Å; H643-L645 PolarHBondContact O-N 2.85Å; H643-L646 PolarHBondContact O-N 3.38Å; H643-V647 WeakPolarHBondContact O-CB 3.2Å; H643-V647 VanDerWaalsContact O-CG2 3.25Å; H643-V647 WeakPolarHBondContact O-CG2 2.98Å; H643-V647 PolarHBondContact O-N 3.42Å; H643-I706 HydrophobicContact CB-CD1 4.16Å; H643-I706 HydrophobicContact CB-CG1 4.06Å; H643-I706 WeakPolarHBondContact ND1-CG1 3.45Å |
| 644 | Y | 74.4 | Confident | 67.7 | Low | 99 Ų | 99 | 41 Ų | 41 | 39% | 0.388 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -56.4 | -44.6 | 174.6 | 178.2 | -93.5 | 0 | 0 | 0 | 111.7 | D640 S641 V647 K648 | D640-Y644 WeakPolarHBondContact O-CB 3.2Å; D640-Y644 PolarHBondContact O-N 2.84Å; S641-Y644 PolarHBondContact O-N 2.94Å; Y644-V647 PolarHBondContact O-N 3.48Å; Y644-K648 HydrophobicContact CE1-CG 4.01Å; Y644-K648 WeakPolarHBondContact O-CB 3.29Å; Y644-K648 PolarHBondContact O-N 3.06Å |
| 645 | L | 71.9 | Confident | 67.5 | Low | 2 Ų | 2 | 41 Ų | 41 | 1% | 0.01 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -64.8 | -45.8 | 179.3 | -161.5 | 172.4 | 0 | 0 | 0 | 110.9 | I586 V614 F617 V618 S641 L642 H643 K648 I649 | I586-L645 HydrophobicContact CD1-CD1 3.62Å; I586-L645 HydrophobicContact CD1-CG 3.99Å; V614-L645 HydrophobicContact CG1-CD2 4.38Å; F617-L645 HydrophobicContact CB-CD1 4.42Å; V618-L645 HydrophobicContact CG2-CD2 3.58Å; S641-L645 WeakPolarHBondContact O-CB 3.46Å; S641-L645 PolarHBondContact O-N 3.35Å; L642-L645 PolarHBondContact O-N 3.4Å; H643-L645 VanDerWaalsContact C-N 3.29Å; H643-L645 PolarHBondContact O-N 2.85Å; L645-K648 PolarHBondContact O-N 3.32Å; L645-I649 HydrophobicContact CD2-CD1 3.52Å; L645-I649 HydrophobicContact CD2-CG1 4.17Å; L645-I649 VanDerWaalsContact O-CG1 3.29Å; L645-I649 WeakPolarHBondContact O-CG1 3.42Å; L645-I649 PolarHBondContact O-N 2.91Å |
| 646 | L | 72.6 | Confident | 66.8 | Low | 9 Ų | 9 | 47 Ų | 47 | 5% | 0.047 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -64.7 | -36.7 | 174.4 | -73.9 | 170.5 | 0 | 0 | 0 | 113.2 | L642 H643 I649 R650 I706 L709 L710 | L642-L646 HydrophobicContact CD2-CD1 4.1Å; L642-L646 HydrophobicContact CG-CD1 4.04Å; L642-L646 WeakPolarHBondContact O-CB 3.43Å; L642-L646 VanDerWaalsContact O-CG 3.27Å; L642-L646 WeakPolarHBondContact O-CG 3.15Å; L642-L646 PolarHBondContact O-N 3.34Å; H643-L646 PolarHBondContact O-N 3.38Å; L646-I649 HydrophobicContact CD2-CD1 4.29Å; L646-I649 PolarHBondContact O-N 2.89Å; L646-R650 WeakPolarHBondContact O-CB 3.49Å; L646-R650 PolarHBondContact O-N 3.34Å; L646-I706 HydrophobicContact CD1-CG2 3.75Å; L646-L709 HydrophobicContact CB-CD2 4.44Å; L646-L710 HydrophobicContact CD2-CD2 4.35Å |
| 647 | V | 75.5 | Confident | 66 | Low | 60 Ų | 60 | 51.9 Ų | 51.9 | 36% | 0.364 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -64.4 | -47.8 | 173.7 | 168.3 | 0 | 0 | 0 | 0 | 110.6 | H643 Y644 I649 R650 S651 L709 | H643-V647 WeakPolarHBondContact O-CB 3.2Å; H643-V647 VanDerWaalsContact O-CG2 3.25Å; H643-V647 WeakPolarHBondContact O-CG2 2.98Å; H643-V647 PolarHBondContact O-N 3.42Å; Y644-V647 PolarHBondContact O-N 3.48Å; V647-I649 VanDerWaalsContact C-N 3.32Å; V647-I649 PolarHBondContact O-N 2.89Å; V647-R650 PolarHBondContact O-N 3.34Å; V647-R650 VanDerWaalsContact O-N 3.12Å; V647-S651 PolarHBondContact O-N 3.47Å; V647-S651 PolarHBondContact O-OG 2.87Å; V647-L709 HydrophobicContact CG2-CD1 3.72Å; V647-L709 HydrophobicContact CG2-CD2 4Å |
| 648 | K | 64.7 | Low | 65.6 | Low | 47 Ų | 47 | 50 Ų | 50 | 20% | 0.204 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -58.1 | -40.2 | 175 | -96.1 | -78.3 | -173.2 | 175.4 | 0 | 112.5 | L590 N591 Y644 L645 S651 | L590-K648 HydrophobicContact CD1-CB 4.21Å; N591-K648 PolarHBondContact OD1-NZ 3.02Å; Y644-K648 HydrophobicContact CE1-CG 4.01Å; Y644-K648 WeakPolarHBondContact O-CB 3.29Å; Y644-K648 PolarHBondContact O-N 3.06Å; L645-K648 PolarHBondContact O-N 3.32Å; K648-S651 PolarHBondContact O-OG 3.13Å |
| 649 | I | 66.3 | Low | 64.8 | Low | 9 Ų | 9 | 53 Ų | 53 | 5% | 0.046 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -61.6 | -51.3 | 172.1 | -68.9 | 164.2 | 0 | 0 | 0 | 110.5 | V614 V618 L645 L646 V647 S651 F652 F655 | V614-I649 HydrophobicContact CG1-CD1 3.38Å; V614-I649 HydrophobicContact CG1-CG1 3.85Å; V618-I649 HydrophobicContact CG2-CD1 4.19Å; L645-I649 HydrophobicContact CD2-CD1 3.52Å; L645-I649 HydrophobicContact CD2-CG1 4.17Å; L645-I649 VanDerWaalsContact O-CG1 3.29Å; L645-I649 WeakPolarHBondContact O-CG1 3.42Å; L645-I649 PolarHBondContact O-N 2.91Å; L646-I649 HydrophobicContact CD2-CD1 4.29Å; L646-I649 PolarHBondContact O-N 2.89Å; V647-I649 VanDerWaalsContact C-N 3.32Å; V647-I649 PolarHBondContact O-N 2.89Å; I649-S651 VanDerWaalsContact C-N 3.27Å; I649-S651 PolarHBondContact O-N 3.42Å; I649-F652 PolarHBondContact O-N 3.43Å; I649-F655 HydrophobicContact CG2-CB 4.04Å; I649-F655 HydrophobicContact CG2-CD1 3.52Å; I649-F655 HydrophobicContact CG2-CD2 3.78Å; I649-F655 HydrophobicContact CG2-CE1 3.77Å; I649-F655 HydrophobicContact CG2-CE2 4.02Å; I649-F655 HydrophobicContact CG2-CG 3.51Å; I649-F655 HydrophobicContact CG2-CZ 4.01Å |
| 650 | R | 61.1 | Low | 63.6 | Low | 93 Ų | 93 | 60.3 Ų | 60.3 | 35% | 0.351 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -69.8 | -23.1 | -171.7 | -148.6 | -179.5 | -158 | -154.1 | 13 | 113.8 | L646 V647 F652 L709 L710 V711 G712 | L646-R650 WeakPolarHBondContact O-CB 3.49Å; L646-R650 PolarHBondContact O-N 3.34Å; V647-R650 PolarHBondContact O-N 3.34Å; V647-R650 VanDerWaalsContact O-N 3.12Å; R650-F652 PolarHBondContact O-N 2.86Å; R650-L709 VanDerWaalsContact CD-O 3.31Å; R650-L709 WeakPolarHBondContact CD-O 3.38Å; R650-L709 PolarHBondContact NE-O 3Å; R650-L709 PolarHBondContact NH1-O 3.22Å; R650-L709 PolarHBondContact NH2-O 3.41Å; R650-L710 PolarHBondContact NH2-O 3.49Å; R650-V711 VanDerWaalsContact NH2-C 3.34Å; R650-V711 PolarHBondContact NH2-O 3.18Å; R650-G712 VanDerWaalsContact NH2-CA 3.31Å |
| 651 | S | 60.7 | Low | 63 | Low | 87 Ų | 87 | 58.1 Ų | 58.1 | 61% | 0.608 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.9 | -12.9 | 170.8 | 51.8 | 0 | 0 | 0 | 0 | 114.5 | V647 K648 I649 | V647-S651 PolarHBondContact O-N 3.47Å; V647-S651 PolarHBondContact O-OG 2.87Å; K648-S651 PolarHBondContact O-OG 3.13Å; I649-S651 VanDerWaalsContact C-N 3.27Å; I649-S651 PolarHBondContact O-N 3.42Å |
| 652 | F | 57.7 | Low | 62.6 | Low | 45 Ų | 45 | 60.3 Ų | 60.3 | 20% | 0.197 | 31% | 0.306 | C | S | . | . | trans | -88.7 | 124.1 | 174.1 | -100.5 | -81.2 | 0 | 0 | 0 | 111.7 | L590 T593 I649 R650 L654 F655 | L590-F652 HydrophobicContact CB-CE2 4.33Å; L590-F652 VanDerWaalsContact O-CE2 3.25Å; L590-F652 WeakPolarHBondContact O-CE2 3.38Å; L590-F652 WeakPolarHBondContact O-CZ 3.14Å; T593-F652 WeakPolarHBondContact O-CE1 3.42Å; T593-F652 VanDerWaalsContact OG1-CE1 3.28Å; T593-F652 WeakPolarHBondContact OG1-CE1 3.47Å; T593-F652 WeakPolarHBondContact OG1-CZ 3.39Å; I649-F652 PolarHBondContact O-N 3.43Å; R650-F652 PolarHBondContact O-N 2.86Å; F652-L654 PolarHBondContact O-N 2.87Å; F652-L654 VanDerWaalsContact O-N 3.17Å; F652-F655 PolarHBondContact O-N 2.83Å | ||
| 653 | S | 51.4 | Low | 62 | Low | 91 Ų | 91 | 63 Ų | 63 | 64% | 0.636 | 32% | 0.32 | S | S | * | . | G | 310 helix | trans | -53.1 | -35.1 | 176.7 | 51.6 | 0 | 0 | 0 | 0 | 113.3 | Q656 | S653-Q656 WeakPolarHBondContact O-CB 3.35Å; S653-Q656 PolarHBondContact O-N 3.28Å; S653-Q656 VanDerWaalsContact O-N 3.15Å |
| 654 | L | 49.2 | Very low | 61.2 | Low | 42 Ų | 42 | 62.9 Ų | 62.9 | 22% | 0.22 | 33% | 0.326 | C | S | . | . | G | 310 helix | trans | -62.3 | -44.3 | -173.6 | -163.5 | 156.2 | 0 | 0 | 0 | 112.7 | R607 F652 Q656 Q657 | R607-L654 HydrophobicContact CG-CD1 3.8Å; R607-L654 HydrophobicContact CG-CD2 3.77Å; R607-L654 HydrophobicContact CG-CG 4.29Å; F652-L654 PolarHBondContact O-N 2.87Å; F652-L654 VanDerWaalsContact O-N 3.17Å; L654-Q656 PolarHBondContact O-N 3.2Å; L654-Q656 VanDerWaalsContact O-N 3.15Å; L654-Q657 PolarHBondContact O-N 2.96Å; L654-Q657 VanDerWaalsContact O-N 3.16Å |
| 655 | F | 55.3 | Low | 60.9 | Low | 12 Ų | 12 | 58.6 Ų | 58.6 | 5% | 0.053 | 31% | 0.309 | C | S | . | . | G | 310 helix | trans | -67 | -13.8 | 177.8 | -102.9 | -92.9 | 0 | 0 | 0 | 113.7 | E611 V614 I649 F652 Q657 L661 L662 I665 | E611-F655 HydrophobicContact CB-CE2 4.48Å; E611-F655 HydrophobicContact CB-CZ 4.05Å; E611-F655 HydrophobicContact CG-CE2 3.81Å; E611-F655 HydrophobicContact CG-CZ 3.76Å; V614-F655 HydrophobicContact CG1-CZ 4.16Å; I649-F655 HydrophobicContact CG2-CB 4.04Å; I649-F655 HydrophobicContact CG2-CD1 3.52Å; I649-F655 HydrophobicContact CG2-CD2 3.78Å; I649-F655 HydrophobicContact CG2-CE1 3.77Å; I649-F655 HydrophobicContact CG2-CE2 4.02Å; I649-F655 HydrophobicContact CG2-CG 3.51Å; I649-F655 HydrophobicContact CG2-CZ 4.01Å; F652-F655 PolarHBondContact O-N 2.83Å; F655-Q657 VanDerWaalsContact C-N 3.34Å; F655-L661 HydrophobicContact CD1-CD2 4.23Å; F655-L661 HydrophobicContact CE1-CD2 3.45Å; F655-L661 VanDerWaalsContact CE1-CD2 3.45Å; F655-L661 HydrophobicContact CE1-CG 4.32Å; F655-L661 HydrophobicContact CZ-CD2 3.85Å; F655-L662 HydrophobicContact CD1-CD1 4.38Å; F655-I665 HydrophobicContact CE1-CD1 4.1Å |
| 656 | Q | 55 | Low | 60.7 | Low | 126 Ų | 126 | 59.6 Ų | 59.6 | 59% | 0.589 | 31% | 0.314 | S | S | * | . | G | 310 helix | trans | -81 | -15.1 | 176.8 | -54.1 | -169.5 | 10.2 | 0 | 0 | 113.1 | S653 L654 | S653-Q656 WeakPolarHBondContact O-CB 3.35Å; S653-Q656 PolarHBondContact O-N 3.28Å; S653-Q656 VanDerWaalsContact O-N 3.15Å; L654-Q656 PolarHBondContact O-N 3.2Å; L654-Q656 VanDerWaalsContact O-N 3.15Å |
| 657 | Q | 52.1 | Low | 60.3 | Low | 143 Ų | 143 | 61.6 Ų | 61.6 | 67% | 0.668 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.5 | -43 | 178.4 | -63.8 | -179.5 | -16.2 | 0 | 0 | 111.9 | L654 F655 S659 | L654-Q657 PolarHBondContact O-N 2.96Å; L654-Q657 VanDerWaalsContact O-N 3.16Å; F655-Q657 VanDerWaalsContact C-N 3.34Å; Q657-S659 VanDerWaalsContact C-N 3.32Å; Q657-S659 PolarHBondContact O-N 3.04Å |
| 658 | N | 60 | Low | 59.8 | Low | 42 Ų | 42 | 60.1 Ų | 60.1 | 23% | 0.225 | 32% | 0.315 | C | S | . | . | trans | -79.2 | 73.5 | -174.9 | -165.9 | -7.3 | 0 | 0 | 0 | 112.7 | E611 K660 L661 L662 | E611-N658 PolarHBondContact OE1-ND2 3.42Å; E611-N658 PolarHBondContact OE2-ND2 2.87Å; E611-N658 VanDerWaalsContact OE2-ND2 3.08Å; N658-K660 VanDerWaalsContact C-N 3.29Å; N658-K660 PolarHBondContact O-N 3.47Å; N658-L661 PolarHBondContact O-N 2.98Å; N658-L662 PolarHBondContact O-N 2.94Å; N658-L662 VanDerWaalsContact O-N 3.13Å | ||
| 659 | S | 54.6 | Low | 60 | Low | 64 Ų | 64 | 57.9 Ų | 57.9 | 45% | 0.448 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -57.6 | -35.2 | -173.7 | 63.9 | 0 | 0 | 0 | 0 | 114 | Q657 L662 I663 | Q657-S659 VanDerWaalsContact C-N 3.32Å; Q657-S659 PolarHBondContact O-N 3.04Å; S659-L662 PolarHBondContact O-N 3.01Å; S659-I663 VanDerWaalsContact O-CB 3.24Å; S659-I663 WeakPolarHBondContact O-CB 3.45Å; S659-I663 WeakPolarHBondContact O-CD1 3.42Å; S659-I663 WeakPolarHBondContact O-CG1 3.49Å; S659-I663 PolarHBondContact O-N 2.88Å |
| 660 | K | 52.2 | Low | 60.3 | Low | 154 Ų | 154 | 58.2 Ų | 58.2 | 67% | 0.67 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -68 | -43.1 | -179.3 | -73.9 | -178 | 177.9 | 177.1 | 0 | 112.6 | N658 I663 S664 | N658-K660 VanDerWaalsContact C-N 3.29Å; N658-K660 PolarHBondContact O-N 3.47Å; K660-I663 PolarHBondContact O-N 3.05Å; K660-S664 PolarHBondContact O-N 3.41Å |
| 661 | L | 61.2 | Low | 60.8 | Low | 28 Ų | 28 | 59.6 Ų | 59.6 | 15% | 0.147 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -66.9 | -44.5 | 175.1 | 179.5 | 73.2 | 0 | 0 | 0 | 110.9 | E611 F655 N658 I663 S664 I665 | E611-L661 HydrophobicContact CB-CD2 3.5Å; E611-L661 HydrophobicContact CG-CD2 3.66Å; E611-L661 WeakPolarHBondContact OE2-CD2 3.39Å; F655-L661 HydrophobicContact CD1-CD2 4.23Å; F655-L661 HydrophobicContact CE1-CD2 3.45Å; F655-L661 VanDerWaalsContact CE1-CD2 3.45Å; F655-L661 HydrophobicContact CE1-CG 4.32Å; F655-L661 HydrophobicContact CZ-CD2 3.85Å; N658-L661 PolarHBondContact O-N 2.98Å; L661-I663 VanDerWaalsContact C-N 3.27Å; L661-I663 PolarHBondContact O-N 2.97Å; L661-S664 WeakPolarHBondContact O-CB 3.48Å; L661-S664 PolarHBondContact O-N 3.23Å; L661-I665 HydrophobicContact CD1-CD1 4.16Å; L661-I665 HydrophobicContact CD1-CG1 4.38Å; L661-I665 HydrophobicContact CD2-CD1 4.36Å; L661-I665 HydrophobicContact CG-CD1 4Å; L661-I665 HydrophobicContact CG-CG1 4.48Å; L661-I665 PolarHBondContact O-N 2.72Å |
| 662 | L | 63.6 | Low | 61.4 | Low | 56 Ų | 56 | 56.9 Ų | 56.9 | 29% | 0.293 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -58.6 | -43 | 177.5 | -162.1 | 79 | 0 | 0 | 0 | 110.6 | F655 N658 S659 I665 H666 | F655-L662 HydrophobicContact CD1-CD1 4.38Å; N658-L662 PolarHBondContact O-N 2.94Å; N658-L662 VanDerWaalsContact O-N 3.13Å; S659-L662 PolarHBondContact O-N 3.01Å; L662-I665 PolarHBondContact O-N 3.32Å; L662-H666 VanDerWaalsContact O-CB 3.28Å; L662-H666 WeakPolarHBondContact O-CB 3.28Å; L662-H666 PolarHBondContact O-CD2 2.99Å; L662-H666 PolarHBondContact O-N 3.32Å |
| 663 | I | 63.2 | Low | 62.2 | Low | 57 Ų | 57 | 55 Ų | 55 | 29% | 0.292 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -61.8 | -42.2 | 172.2 | -74.3 | 166.1 | 0 | 0 | 0 | 111.6 | S659 K660 L661 H666 H667 I718 | S659-I663 VanDerWaalsContact O-CB 3.24Å; S659-I663 WeakPolarHBondContact O-CB 3.45Å; S659-I663 WeakPolarHBondContact O-CD1 3.42Å; S659-I663 WeakPolarHBondContact O-CG1 3.49Å; S659-I663 PolarHBondContact O-N 2.88Å; K660-I663 PolarHBondContact O-N 3.05Å; L661-I663 VanDerWaalsContact C-N 3.27Å; L661-I663 PolarHBondContact O-N 2.97Å; I663-H666 WeakPolarHBondContact O-CB 3.44Å; I663-H666 PolarHBondContact O-N 3.41Å; I663-H667 PolarHBondContact O-CD2 3.09Å; I663-H667 PolarHBondContact O-N 2.88Å; I663-I718 HydrophobicContact CD1-CG2 3.92Å; I663-I718 HydrophobicContact CG1-CG2 3.99Å |
| 664 | S | 63.2 | Low | 63 | Low | 55 Ų | 55 | 52.3 Ų | 52.3 | 39% | 0.385 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -62.1 | -48.2 | 176.9 | -176.2 | 0 | 0 | 0 | 0 | 112.5 | K660 L661 H666 H667 S668 | K660-S664 PolarHBondContact O-N 3.41Å; L661-S664 WeakPolarHBondContact O-CB 3.48Å; L661-S664 PolarHBondContact O-N 3.23Å; S664-H666 VanDerWaalsContact C-N 3.34Å; S664-H667 PolarHBondContact O-N 2.75Å; S664-S668 PolarHBondContact O-N 2.93Å |
| 665 | I | 66.5 | Low | 64 | Low | 8 Ų | 8 | 52 Ų | 52 | 4% | 0.041 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -67 | -37 | 176.6 | -65.1 | 174.2 | 0 | 0 | 0 | 110.3 | V618 F655 L661 L662 S668 T669 | V618-I665 HydrophobicContact CG1-CG2 4.32Å; F655-I665 HydrophobicContact CE1-CD1 4.1Å; L661-I665 HydrophobicContact CD1-CD1 4.16Å; L661-I665 HydrophobicContact CD1-CG1 4.38Å; L661-I665 HydrophobicContact CD2-CD1 4.36Å; L661-I665 HydrophobicContact CG-CD1 4Å; L661-I665 HydrophobicContact CG-CG1 4.48Å; L661-I665 PolarHBondContact O-N 2.72Å; L662-I665 PolarHBondContact O-N 3.32Å; I665-S668 PolarHBondContact O-OG 3.08Å; I665-T669 HydrophobicContact CG2-CG2 4.06Å; I665-T669 VanDerWaalsContact O-CB 3.3Å; I665-T669 WeakPolarHBondContact O-CB 3.43Å; I665-T669 WeakPolarHBondContact O-CG2 3.35Å; I665-T669 PolarHBondContact O-N 3.4Å; I665-T669 PolarHBondContact O-OG1 2.86Å |
| 666 | H | 67.9 | Low | 64.8 | Low | 24 Ų | 24 | 51.6 Ų | 51.6 | 11% | 0.111 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -58.9 | -51.2 | 169.7 | -77.2 | -42.8 | 0 | 0 | 0 | 111.3 | L662 I663 S664 S668 T669 V670 L710 | L662-H666 VanDerWaalsContact O-CB 3.28Å; L662-H666 WeakPolarHBondContact O-CB 3.28Å; L662-H666 PolarHBondContact O-CD2 2.99Å; L662-H666 PolarHBondContact O-N 3.32Å; I663-H666 WeakPolarHBondContact O-CB 3.44Å; I663-H666 PolarHBondContact O-N 3.41Å; S664-H666 VanDerWaalsContact C-N 3.34Å; H666-S668 PolarHBondContact O-N 2.64Å; H666-T669 PolarHBondContact O-OG1 3.45Å; H666-V670 WeakPolarHBondContact O-CA 3.47Å; H666-V670 WeakPolarHBondContact O-CB 3.4Å; H666-V670 WeakPolarHBondContact O-CG2 3.29Å; H666-V670 PolarHBondContact O-N 3.01Å; H666-L710 PolarHBondContact CE1-O 2.96Å; H666-L710 WeakPolarHBondContact ND1-CD2 3.3Å |
| 667 | H | 64.2 | Low | 65.5 | Low | 50 Ų | 50 | 45.8 Ų | 45.8 | 23% | 0.231 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62.9 | -41.3 | -179.9 | -82.7 | -82.4 | 0 | 0 | 0 | 112 | I663 S664 Y671 A722 | I663-H667 PolarHBondContact O-CD2 3.09Å; I663-H667 PolarHBondContact O-N 2.88Å; S664-H667 PolarHBondContact O-N 2.75Å; H667-Y671 WeakPolarHBondContact O-CB 3.29Å; H667-Y671 PolarHBondContact O-N 2.92Å; H667-A722 PolarHBondContact CE1-O 2.88Å |
| 668 | S | 66.2 | Low | 66.2 | Low | 29 Ų | 29 | 42.2 Ų | 42.2 | 20% | 0.203 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -68.5 | -48.4 | 178.2 | 75.9 | 0 | 0 | 0 | 0 | 112.1 | N619 S664 I665 H666 T672 | N619-S668 PolarHBondContact OD1-OG 3.19Å; S664-S668 PolarHBondContact O-N 2.93Å; I665-S668 PolarHBondContact O-OG 3.08Å; H666-S668 PolarHBondContact O-N 2.64Å; S668-T672 WeakPolarHBondContact O-CB 3.38Å; S668-T672 WeakPolarHBondContact O-CG2 3.33Å; S668-T672 PolarHBondContact O-N 3.05Å; S668-T672 PolarHBondContact O-OG1 3.08Å |
| 669 | T | 69 | Low | 66.6 | Low | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -65 | -50.5 | 177.8 | 54.1 | 0 | 0 | 0 | 0 | 111.7 | V618 I622 I665 H666 Y671 T672 L673 L710 | V618-T669 HydrophobicContact CG1-CG2 4.4Å; I622-T669 HydrophobicContact CD1-CG2 3.73Å; I665-T669 HydrophobicContact CG2-CG2 4.06Å; I665-T669 VanDerWaalsContact O-CB 3.3Å; I665-T669 WeakPolarHBondContact O-CB 3.43Å; I665-T669 WeakPolarHBondContact O-CG2 3.35Å; I665-T669 PolarHBondContact O-N 3.4Å; I665-T669 PolarHBondContact O-OG1 2.86Å; H666-T669 PolarHBondContact O-OG1 3.45Å; T669-Y671 PolarHBondContact O-N 2.9Å; T669-T672 PolarHBondContact O-N 3.23Å; T669-T672 PolarHBondContact O-OG1 3.49Å; T669-L673 WeakPolarHBondContact O-CB 3.48Å; T669-L673 WeakPolarHBondContact O-CG 3.35Å; T669-L673 PolarHBondContact O-N 3.33Å; T669-L710 WeakPolarHBondContact OG1-CD1 3.16Å |
| 670 | V | 71.5 | Confident | 67.2 | Low | 16 Ų | 16 | 41.8 Ų | 41.8 | 10% | 0.097 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -62.7 | -43.3 | 179 | 177.6 | 0 | 0 | 0 | 0 | 110.6 | H666 R674 L707 L710 F719 | H666-V670 WeakPolarHBondContact O-CA 3.47Å; H666-V670 WeakPolarHBondContact O-CB 3.4Å; H666-V670 WeakPolarHBondContact O-CG2 3.29Å; H666-V670 PolarHBondContact O-N 3.01Å; V670-R674 WeakPolarHBondContact O-CA 3.48Å; V670-R674 WeakPolarHBondContact O-CB 3.45Å; V670-R674 PolarHBondContact O-N 3.25Å; V670-L707 HydrophobicContact CB-CD2 4.3Å; V670-L707 HydrophobicContact CG1-CD2 4.29Å; V670-L707 HydrophobicContact CG2-CD2 3.81Å; V670-L710 HydrophobicContact CG2-CD1 4.37Å; V670-F719 HydrophobicContact CG2-CE2 4.39Å |
| 671 | Y | 73.1 | Confident | 67.9 | Low | 123 Ų | 123 | 34.7 Ų | 34.7 | 48% | 0.482 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -63.9 | -46.1 | 177.8 | 178.7 | -104 | 0 | 0 | 0 | 112.3 | H667 T669 N675 | H667-Y671 WeakPolarHBondContact O-CB 3.29Å; H667-Y671 PolarHBondContact O-N 2.92Å; T669-Y671 PolarHBondContact O-N 2.9Å; Y671-N675 VanDerWaalsContact CE1-ND2 3.34Å; Y671-N675 WeakPolarHBondContact CE1-ND2 3.34Å; Y671-N675 WeakPolarHBondContact CE2-ND2 3.42Å; Y671-N675 WeakPolarHBondContact O-CB 3.43Å; Y671-N675 PolarHBondContact O-N 3.07Å; Y671-N675 PolarHBondContact OH-ND2 3.1Å |
| 672 | T | 72.7 | Confident | 67.9 | Low | 30 Ų | 30 | 38.7 Ų | 38.7 | 18% | 0.184 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -73.2 | -42.4 | -178.6 | 53.3 | 0 | 0 | 0 | 0 | 112.8 | I622 V626 S668 T669 N675 L676 | I622-T672 HydrophobicContact CG2-CG2 3.61Å; I622-T672 WeakPolarHBondContact CG2-OG1 3.5Å; V626-T672 HydrophobicContact CG2-CG2 4.19Å; S668-T672 WeakPolarHBondContact O-CB 3.38Å; S668-T672 WeakPolarHBondContact O-CG2 3.33Å; S668-T672 PolarHBondContact O-N 3.05Å; S668-T672 PolarHBondContact O-OG1 3.08Å; T669-T672 PolarHBondContact O-N 3.23Å; T669-T672 PolarHBondContact O-OG1 3.49Å; T672-N675 PolarHBondContact O-N 2.77Å; T672-L676 VanDerWaalsContact O-CB 3.23Å; T672-L676 WeakPolarHBondContact O-CB 3.28Å; T672-L676 PolarHBondContact O-N 3.12Å |
| 673 | L | 73.6 | Confident | 67.5 | Low | 4 Ų | 4 | 38.5 Ų | 38.5 | 2% | 0.021 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -67.7 | -35.7 | 173.5 | -63.7 | 173.2 | 0 | 0 | 0 | 111.9 | L639 T669 L676 A677 I703 I706 L707 | L639-L673 HydrophobicContact CD2-CD2 3.9Å; T669-L673 WeakPolarHBondContact O-CB 3.48Å; T669-L673 WeakPolarHBondContact O-CG 3.35Å; T669-L673 PolarHBondContact O-N 3.33Å; L673-L676 PolarHBondContact O-N 3.17Å; L673-A677 VanDerWaalsContact O-CB 3.31Å; L673-A677 WeakPolarHBondContact O-CB 3.43Å; L673-A677 PolarHBondContact O-N 3.3Å; L673-I703 HydrophobicContact CB-CG2 4.14Å; L673-I703 HydrophobicContact CD2-CG1 4.29Å; L673-I706 HydrophobicContact CD1-CB 4.47Å; L673-I706 HydrophobicContact CD1-CG2 3.68Å; L673-L707 HydrophobicContact CD1-CD2 4.5Å |
| 674 | R | 68.9 | Low | 66.6 | Low | 35 Ų | 35 | 38.7 Ų | 38.7 | 13% | 0.132 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -63.1 | -45 | 170.8 | 178.7 | -176.3 | -177.1 | -126.2 | -11.6 | 111 | V670 K678 D728 P730 | V670-R674 WeakPolarHBondContact O-CA 3.48Å; V670-R674 WeakPolarHBondContact O-CB 3.45Å; V670-R674 PolarHBondContact O-N 3.25Å; R674-K678 WeakPolarHBondContact O-CB 3.15Å; R674-K678 PolarHBondContact O-N 3.34Å; R674-D728 VanDerWaalsContact CZ-O 3.31Å; R674-D728 PolarHBondContact NH1-O 3.02Å; R674-D728 PolarHBondContact NH2-O 2.95Å; R674-P730 VanDerWaalsContact NH2-CD 3.31Å |
| 675 | N | 70 | Confident | 65.6 | Low | 36 Ų | 36 | 45.3 Ų | 45.3 | 19% | 0.193 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -70.6 | -31.8 | 176.8 | -80.5 | -22.8 | 0 | 0 | 0 | 112.3 | Y671 T672 N679 | Y671-N675 VanDerWaalsContact CE1-ND2 3.34Å; Y671-N675 WeakPolarHBondContact CE1-ND2 3.34Å; Y671-N675 WeakPolarHBondContact CE2-ND2 3.42Å; Y671-N675 WeakPolarHBondContact O-CB 3.43Å; Y671-N675 PolarHBondContact O-N 3.07Å; Y671-N675 PolarHBondContact OH-ND2 3.1Å; T672-N675 PolarHBondContact O-N 2.77Å; N675-N679 WeakPolarHBondContact O-CB 3.25Å; N675-N679 PolarHBondContact O-N 3.04Å; N675-N679 PolarHBondContact O-ND2 3.21Å; N675-N679 PolarHBondContact O-OD1 2.99Å |
| 676 | L | 72.4 | Confident | 64.4 | Low | 4 Ų | 4 | 53.6 Ų | 53.6 | 2% | 0.021 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -69.3 | -46 | 174.8 | -168.7 | 136.7 | 0 | 0 | 0 | 111 | L629 L635 T672 L673 N679 L680 I699 I703 | L629-L676 HydrophobicContact CD2-CB 4.37Å; L629-L676 HydrophobicContact CD2-CD1 3.64Å; L629-L676 HydrophobicContact CD2-CG 3.67Å; L629-L676 HydrophobicContact CG-CD1 3.95Å; L629-L676 HydrophobicContact CG-CG 4.47Å; L635-L676 HydrophobicContact CD2-CD1 3.83Å; L635-L676 HydrophobicContact CD2-CD2 4.2Å; T672-L676 VanDerWaalsContact O-CB 3.23Å; T672-L676 WeakPolarHBondContact O-CB 3.28Å; T672-L676 PolarHBondContact O-N 3.12Å; L673-L676 PolarHBondContact O-N 3.17Å; L676-N679 PolarHBondContact O-N 3.42Å; L676-L680 HydrophobicContact CD2-CD1 3.74Å; L676-L680 WeakPolarHBondContact O-CB 3.42Å; L676-L680 VanDerWaalsContact O-CG 3.28Å; L676-L680 WeakPolarHBondContact O-CG 3.28Å; L676-L680 PolarHBondContact O-N 3.1Å; L676-I699 HydrophobicContact CD2-CG2 4.44Å; L676-I703 HydrophobicContact CD2-CD1 3.42Å; L676-I703 VanDerWaalsContact CD2-CD1 3.42Å; L676-I703 HydrophobicContact CD2-CG1 4.41Å |
| 677 | A | 69.9 | Low | 63.1 | Low | 3 Ų | 3 | 59.9 Ų | 59.9 | 3% | 0.025 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -62.1 | -46.4 | 171 | 0 | 0 | 0 | 0 | 0 | 111.9 | L673 N679 L680 L681 L700 I703 F750 | L673-A677 VanDerWaalsContact O-CB 3.31Å; L673-A677 WeakPolarHBondContact O-CB 3.43Å; L673-A677 PolarHBondContact O-N 3.3Å; A677-N679 VanDerWaalsContact C-N 3.34Å; A677-N679 PolarHBondContact O-N 2.78Å; A677-L680 PolarHBondContact O-N 3.47Å; A677-L681 VanDerWaalsContact O-CB 3.27Å; A677-L681 WeakPolarHBondContact O-CB 3.46Å; A677-L681 WeakPolarHBondContact O-CD1 3.12Å; A677-L681 WeakPolarHBondContact O-CG 3.32Å; A677-L681 PolarHBondContact O-N 3.37Å; A677-L700 HydrophobicContact CB-CD2 3.83Å; A677-I703 HydrophobicContact CB-CG2 4.43Å; A677-F750 HydrophobicContact CB-CE1 3.93Å; A677-F750 HydrophobicContact CB-CZ 3.93Å |
| 678 | K | 67.3 | Low | 61.6 | Low | 68 Ų | 68 | 65.1 Ų | 65.1 | 30% | 0.296 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -57.8 | -44.5 | 175.1 | -179.9 | -176 | 175 | -173.6 | 0 | 111.2 | R674 L681 Q682 | R674-K678 WeakPolarHBondContact O-CB 3.15Å; R674-K678 PolarHBondContact O-N 3.34Å; K678-L681 CarbonylContact O-C 3.02Å; K678-L681 PolarHBondContact O-N 2.93Å; K678-Q682 HydrophobicContact CG-CG 4.19Å; K678-Q682 WeakPolarHBondContact O-CB 3.27Å; K678-Q682 VanDerWaalsContact O-CG 3.25Å; K678-Q682 WeakPolarHBondContact O-CG 3.45Å; K678-Q682 PolarHBondContact O-N 2.93Å |
| 679 | N | 67.5 | Low | 60.5 | Low | 77 Ų | 77 | 69.2 Ų | 69.2 | 41% | 0.412 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -65.8 | -46.7 | 178 | -72.4 | -10.3 | 0 | 0 | 0 | 111.1 | N675 L676 A677 L681 Q682 S683 | N675-N679 WeakPolarHBondContact O-CB 3.25Å; N675-N679 PolarHBondContact O-N 3.04Å; N675-N679 PolarHBondContact O-ND2 3.21Å; N675-N679 PolarHBondContact O-OD1 2.99Å; L676-N679 PolarHBondContact O-N 3.42Å; A677-N679 VanDerWaalsContact C-N 3.34Å; A677-N679 PolarHBondContact O-N 2.78Å; N679-L681 PolarHBondContact O-N 2.87Å; N679-Q682 PolarHBondContact O-N 3.26Å; N679-S683 WeakPolarHBondContact O-CB 3.2Å; N679-S683 PolarHBondContact O-N 3.39Å; N679-S683 PolarHBondContact O-OG 3.48Å |
| 680 | L | 67.8 | Low | 59.3 | Low | 20 Ų | 20 | 73.7 Ų | 73.7 | 11% | 0.105 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -59.2 | -32.3 | 174.2 | -71.8 | 169.7 | 0 | 0 | 0 | 112.9 | V632 L676 A677 S683 K696 I699 I703 | V632-L680 HydrophobicContact CG1-CD2 4.45Å; L676-L680 HydrophobicContact CD2-CD1 3.74Å; L676-L680 WeakPolarHBondContact O-CB 3.42Å; L676-L680 VanDerWaalsContact O-CG 3.28Å; L676-L680 WeakPolarHBondContact O-CG 3.28Å; L676-L680 PolarHBondContact O-N 3.1Å; A677-L680 PolarHBondContact O-N 3.47Å; L680-S683 PolarHBondContact O-OG 3.41Å; L680-K696 WeakPolarHBondContact O-CE 3.5Å; L680-K696 PolarHBondContact O-NZ 3.46Å; L680-I699 HydrophobicContact CD1-CG2 3.77Å; L680-I703 HydrophobicContact CD1-CD1 4.43Å |
| 681 | L | 66.7 | Low | 58.2 | Low | 5 Ų | 5 | 77.3 Ų | 77.3 | 3% | 0.026 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -88.8 | -17.6 | 178.7 | -66.9 | 169.4 | 0 | 0 | 0 | 113.7 | A677 K678 N679 L700 S746 Y747 F750 | A677-L681 VanDerWaalsContact O-CB 3.27Å; A677-L681 WeakPolarHBondContact O-CB 3.46Å; A677-L681 WeakPolarHBondContact O-CD1 3.12Å; A677-L681 WeakPolarHBondContact O-CG 3.32Å; A677-L681 PolarHBondContact O-N 3.37Å; K678-L681 CarbonylContact O-C 3.02Å; K678-L681 PolarHBondContact O-N 2.93Å; N679-L681 PolarHBondContact O-N 2.87Å; L681-L700 HydrophobicContact CD1-CD2 4.48Å; L681-L700 HydrophobicContact CD2-CD1 3.98Å; L681-L700 HydrophobicContact CG-CD1 4.49Å; L681-L700 HydrophobicContact CG-CD2 4.46Å; L681-S746 VanDerWaalsContact CD2-OG 3.25Å; L681-S746 WeakPolarHBondContact CD2-OG 3.35Å; L681-Y747 HydrophobicContact CB-CD2 3.54Å; L681-Y747 HydrophobicContact CB-CE2 3.74Å; L681-Y747 HydrophobicContact CB-CG 4.4Å; L681-Y747 HydrophobicContact CD1-CD2 4.2Å; L681-Y747 HydrophobicContact CD1-CE2 4.35Å; L681-Y747 HydrophobicContact CD1-CG 4.37Å; L681-Y747 HydrophobicContact CG-CD2 4.37Å; L681-F750 HydrophobicContact CD1-CB 4.4Å; L681-F750 HydrophobicContact CD1-CD1 3.84Å; L681-F750 HydrophobicContact CD1-CE1 4.47Å; L681-F750 HydrophobicContact CD1-CG 4.29Å |
| 682 | Q | 60.7 | Low | 57.6 | Low | 113 Ų | 113 | 75.3 Ų | 75.3 | 53% | 0.528 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -103.7 | -11.1 | 177.7 | -69.4 | -171.2 | -26.7 | 0 | 0 | 113.6 | K678 N679 N684 Y747 | K678-Q682 HydrophobicContact CG-CG 4.19Å; K678-Q682 WeakPolarHBondContact O-CB 3.27Å; K678-Q682 VanDerWaalsContact O-CG 3.25Å; K678-Q682 WeakPolarHBondContact O-CG 3.45Å; K678-Q682 PolarHBondContact O-N 2.93Å; N679-Q682 PolarHBondContact O-N 3.26Å; Q682-N684 PolarHBondContact O-N 3.12Å; Q682-Y747 HydrophobicContact CG-CE2 4.12Å |
| 683 | S | 54.7 | Low | 57 | Low | 51 Ų | 51 | 78.9 Ų | 78.9 | 36% | 0.357 | 40% | 0.4 | S | S | . | . | trans | -72.5 | 34.4 | -178.1 | 66.8 | 0 | 0 | 0 | 0 | 115 | N679 L680 K685 | N679-S683 WeakPolarHBondContact O-CB 3.2Å; N679-S683 PolarHBondContact O-N 3.39Å; N679-S683 PolarHBondContact O-OG 3.48Å; L680-S683 PolarHBondContact O-OG 3.41Å; S683-K685 PolarHBondContact O-N 2.88Å | ||
| 684 | N | 44 | Very low | 56.5 | Low | 61 Ų | 61 | 86.4 Ų | 86.4 | 33% | 0.326 | 44% | 0.435 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | 6.9 | -169.1 | -109.4 | 16.9 | 0 | 0 | 0 | 115.6 | Q682 D744 | Q682-N684 PolarHBondContact O-N 3.12Å; N684-D744 VanDerWaalsContact ND2-CG 3.27Å; N684-D744 PolarHBondContact ND2-OD1 3.1Å |
| 685 | K | 42.9 | Very low | 56.2 | Low | 194 Ų | 194 | 87.7 Ų | 87.7 | 84% | 0.843 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -131.4 | -1.6 | -178.1 | -69.9 | -168.7 | 175.9 | -179.4 | 0 | 117.2 | S683 | S683-K685 PolarHBondContact O-N 2.88Š|
| 686 | Q | 41.6 | Very low | 56.1 | Low | 182 Ų | 182 | 87.8 Ų | 87.8 | 85% | 0.85 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -140.6 | -2.7 | 178.3 | -79.3 | -169.4 | -30.6 | 0 | 0 | 117.3 | ||
| 687 | F | 41.2 | Very low | 55.9 | Low | 156 Ų | 156 | 95.8 Ų | 95.8 | 68% | 0.684 | 47% | 0.473 | S | S | * | . | trans | -126.6 | 37 | 178.8 | -81 | -82.7 | 0 | 0 | 0 | 113.9 | S689 | F687-S689 PolarHBondContact O-N 3.01Š| ||
| 688 | Q | 32.9 | Very low | 56 | Low | 160 Ų | 160 | 97.8 Ų | 97.8 | 75% | 0.748 | 49% | 0.487 | S | S | * | . | trans | -79.4 | 99.7 | 173.4 | -71.3 | -179.7 | -23.8 | 0 | 0 | 111.1 | ||||
| 689 | S | 41.1 | Very low | 56.1 | Low | 115 Ų | 115 | 94.6 Ų | 94.6 | 80% | 0.804 | 47% | 0.473 | S | S | * | . | S | Bend | trans | -176.5 | -27.2 | 151.9 | 29.1 | 0 | 0 | 0 | 0 | 116.4 | F687 | F687-S689 PolarHBondContact O-N 3.01Š|
| 690 | T | 45.2 | Very low | 56.4 | Low | 95 Ų | 95 | 91.5 Ų | 91.5 | 58% | 0.583 | 46% | 0.456 | S | S | * | . | S | Bend | trans | -133.3 | 29.2 | -159.5 | 64.2 | 0 | 0 | 0 | 0 | 117.8 | ||
| 691 | Y | 47.9 | Very low | 56.7 | Low | 92 Ų | 92 | 96 Ų | 96 | 36% | 0.361 | 48% | 0.475 | S | S | . | . | trans | -137.9 | 132.4 | 172.4 | -63.6 | -65.6 | 0 | 0 | 0 | 112.6 | V632 E633 | V632-Y691 HydrophobicContact CB-CD1 4.08Å; V632-Y691 HydrophobicContact CB-CE1 3.58Å; V632-Y691 HydrophobicContact CB-CE2 4.06Å; V632-Y691 HydrophobicContact CG1-CD1 4.47Å; V632-Y691 HydrophobicContact CG1-CE1 4.43Å; V632-Y691 HydrophobicContact CG2-CD2 4.36Å; V632-Y691 HydrophobicContact CG2-CE1 4.23Å; V632-Y691 HydrophobicContact CG2-CE2 3.76Å; V632-Y691 PolarHBondContact N-OH 3.09Å; E633-Y691 HydrophobicContact CG-CE1 4.09Å | ||
| 692 | P | 60.1 | Low | 57 | Low | 81 Ų | 81 | 97.8 Ų | 97.8 | 53% | 0.526 | 48% | 0.482 | S | S | . | . | trans | -80.5 | 141 | 178.4 | 31.6 | -33 | 0 | 0 | 0 | 112 | E694 L695 K696 | P692-E694 PolarHBondContact O-N 2.87Å; P692-E694 VanDerWaalsContact O-N 3.16Å; P692-L695 HydrophobicContact CG-CB 3.9Å; P692-L695 PolarHBondContact O-N 3.31Å; P692-K696 PolarHBondContact O-N 2.93Å; P692-K696 VanDerWaalsContact O-N 3.14Å | ||
| 693 | D | 61.2 | Low | 57.6 | Low | 105 Ų | 105 | 92.4 Ų | 92.4 | 56% | 0.561 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -58.9 | -28.5 | -178.9 | -92.3 | -33.1 | 0 | 0 | 0 | 113.7 | K696 R697 | D693-K696 PolarHBondContact O-N 3.46Å; D693-R697 VanDerWaalsContact O-CB 3.31Å; D693-R697 WeakPolarHBondContact O-CB 3.49Å; D693-R697 VanDerWaalsContact O-CG 3.24Å; D693-R697 WeakPolarHBondContact O-CG 3.47Å; D693-R697 PolarHBondContact O-N 3.21Å |
| 694 | E | 62.1 | Low | 58.3 | Low | 161 Ų | 161 | 90.3 Ų | 90.3 | 75% | 0.752 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -66.9 | -36.7 | 176.1 | -64.9 | -168.5 | 136.2 | 0 | 0 | 112.5 | P692 R697 S698 | P692-E694 PolarHBondContact O-N 2.87Å; P692-E694 VanDerWaalsContact O-N 3.16Å; E694-R697 PolarHBondContact O-N 2.69Å; E694-S698 WeakPolarHBondContact O-CB 3.39Å; E694-S698 PolarHBondContact O-N 2.79Å |
| 695 | L | 63.7 | Low | 59.9 | Low | 62 Ų | 62 | 90.6 Ų | 90.6 | 33% | 0.325 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -76.7 | -36.4 | 176.7 | -164.5 | 125.2 | 0 | 0 | 0 | 110.8 | P692 R697 S698 I699 | P692-L695 HydrophobicContact CG-CB 3.9Å; P692-L695 PolarHBondContact O-N 3.31Å; L695-R697 VanDerWaalsContact C-N 3.32Å; L695-R697 PolarHBondContact O-N 2.83Å; L695-S698 PolarHBondContact O-N 3.33Å; L695-I699 HydrophobicContact CD2-CD1 3.69Å; L695-I699 HydrophobicContact CG-CD1 4.37Å; L695-I699 WeakPolarHBondContact O-CB 3.33Å; L695-I699 WeakPolarHBondContact O-CG1 3.32Å; L695-I699 PolarHBondContact O-N 2.89Å |
| 696 | K | 66.7 | Low | 61.2 | Low | 38 Ų | 38 | 81.4 Ų | 81.4 | 17% | 0.165 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -58.8 | -42.9 | 168.6 | -171.1 | 177.8 | -178.1 | 178.3 | 0 | 111.3 | L680 P692 D693 L700 | L680-K696 WeakPolarHBondContact O-CE 3.5Å; L680-K696 PolarHBondContact O-NZ 3.46Å; P692-K696 PolarHBondContact O-N 2.93Å; P692-K696 VanDerWaalsContact O-N 3.14Å; D693-K696 PolarHBondContact O-N 3.46Å; K696-L700 HydrophobicContact CG-CD1 4.36Å; K696-L700 WeakPolarHBondContact O-CB 3.42Å; K696-L700 VanDerWaalsContact O-CG 3.28Å; K696-L700 WeakPolarHBondContact O-CG 3.45Å; K696-L700 PolarHBondContact O-N 2.92Å |
| 697 | R | 67.9 | Low | 62.5 | Low | 173 Ų | 173 | 73.3 Ų | 73.3 | 65% | 0.653 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -68.2 | -40.5 | 173.2 | -75.3 | 174.5 | -173.1 | 170 | 5.4 | 112.5 | D693 E694 L695 L700 K701 | D693-R697 VanDerWaalsContact O-CB 3.31Å; D693-R697 WeakPolarHBondContact O-CB 3.49Å; D693-R697 VanDerWaalsContact O-CG 3.24Å; D693-R697 WeakPolarHBondContact O-CG 3.47Å; D693-R697 PolarHBondContact O-N 3.21Å; E694-R697 PolarHBondContact O-N 2.69Å; L695-R697 VanDerWaalsContact C-N 3.32Å; L695-R697 PolarHBondContact O-N 2.83Å; R697-L700 PolarHBondContact O-N 3.45Å; R697-K701 VanDerWaalsContact O-CB 3.23Å; R697-K701 WeakPolarHBondContact O-CB 3.42Å; R697-K701 PolarHBondContact O-N 3.09Å |
| 698 | S | 72.3 | Confident | 63.9 | Low | 45 Ų | 45 | 69.2 Ų | 69.2 | 32% | 0.315 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -59.9 | -51 | 176.7 | -174.9 | 0 | 0 | 0 | 0 | 110.8 | E694 L695 L700 K701 K702 | E694-S698 WeakPolarHBondContact O-CB 3.39Å; E694-S698 PolarHBondContact O-N 2.79Å; L695-S698 PolarHBondContact O-N 3.33Å; S698-L700 PolarHBondContact O-N 3.48Å; S698-K701 CarbonylContact O-C 3.57Å; S698-K701 PolarHBondContact O-N 3.09Å; S698-K702 PolarHBondContact O-N 2.73Å |
| 699 | I | 69.9 | Low | 65.7 | Low | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -59.4 | -47.8 | 176.5 | -71.7 | 168.3 | 0 | 0 | 0 | 110.5 | V632 L635 L639 L676 L680 L695 K701 K702 I703 | V632-I699 HydrophobicContact CG1-CD1 3.97Å; L635-I699 HydrophobicContact CB-CD1 3.78Å; L635-I699 HydrophobicContact CB-CG1 4.4Å; L639-I699 HydrophobicContact CD1-CG2 3.92Å; L676-I699 HydrophobicContact CD2-CG2 4.44Å; L680-I699 HydrophobicContact CD1-CG2 3.77Å; L695-I699 HydrophobicContact CD2-CD1 3.69Å; L695-I699 HydrophobicContact CG-CD1 4.37Å; L695-I699 WeakPolarHBondContact O-CB 3.33Å; L695-I699 WeakPolarHBondContact O-CG1 3.32Å; L695-I699 PolarHBondContact O-N 2.89Å; I699-K701 VanDerWaalsContact C-N 3.28Å; I699-K701 PolarHBondContact O-N 3.2Å; I699-K702 PolarHBondContact O-N 3.32Å; I699-I703 HydrophobicContact CG2-CD1 3.74Å; I699-I703 HydrophobicContact CG2-CG1 4.5Å; I699-I703 WeakPolarHBondContact O-CB 3.36Å; I699-I703 WeakPolarHBondContact O-CD1 3.34Å; I699-I703 WeakPolarHBondContact O-CG1 3.33Å; I699-I703 PolarHBondContact O-N 3.2Å |
| 700 | L | 72.9 | Confident | 66.7 | Low | 13 Ų | 13 | 58.9 Ų | 58.9 | 7% | 0.068 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -60.8 | -35.6 | 174.5 | -74.6 | 169.9 | 0 | 0 | 0 | 112.5 | A677 L681 K696 R697 S698 I703 A704 F750 | A677-L700 HydrophobicContact CB-CD2 3.83Å; L681-L700 HydrophobicContact CD1-CD2 4.48Å; L681-L700 HydrophobicContact CD2-CD1 3.98Å; L681-L700 HydrophobicContact CG-CD1 4.49Å; L681-L700 HydrophobicContact CG-CD2 4.46Å; K696-L700 HydrophobicContact CG-CD1 4.36Å; K696-L700 WeakPolarHBondContact O-CB 3.42Å; K696-L700 VanDerWaalsContact O-CG 3.28Å; K696-L700 WeakPolarHBondContact O-CG 3.45Å; K696-L700 PolarHBondContact O-N 2.92Å; R697-L700 PolarHBondContact O-N 3.45Å; S698-L700 PolarHBondContact O-N 3.48Å; L700-I703 HydrophobicContact CD2-CD1 4.47Å; L700-I703 PolarHBondContact O-N 3.13Å; L700-A704 WeakPolarHBondContact O-CB 3.29Å; L700-A704 PolarHBondContact O-N 3.41Å; L700-F750 HydrophobicContact CB-CD2 4.01Å; L700-F750 HydrophobicContact CB-CE2 4.13Å; L700-F750 HydrophobicContact CD2-CD2 3.96Å; L700-F750 HydrophobicContact CD2-CE2 3.86Å; L700-F750 HydrophobicContact CD2-CG 4.39Å; L700-F750 HydrophobicContact CD2-CZ 4.22Å; L700-F750 HydrophobicContact CG-CD2 4.43Å; L700-F750 WeakPolarHBondContact O-CE2 3.44Å |
| 701 | K | 74.1 | Confident | 67.5 | Low | 113 Ų | 113 | 56.4 Ų | 56.4 | 49% | 0.491 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -75.2 | -34.4 | 179.1 | -154.2 | 161.9 | -157.7 | 158.4 | 0 | 112.4 | R697 S698 I699 A704 T705 E753 | R697-K701 VanDerWaalsContact O-CB 3.23Å; R697-K701 WeakPolarHBondContact O-CB 3.42Å; R697-K701 PolarHBondContact O-N 3.09Å; S698-K701 CarbonylContact O-C 3.57Å; S698-K701 PolarHBondContact O-N 3.09Å; I699-K701 VanDerWaalsContact C-N 3.28Å; I699-K701 PolarHBondContact O-N 3.2Å; K701-A704 PolarHBondContact O-N 3.45Å; K701-T705 WeakPolarHBondContact O-CG2 3.41Å; K701-T705 PolarHBondContact O-N 3.17Å; K701-T705 PolarHBondContact O-OG1 2.77Å; K701-E753 IonicContact NZ-OE1 3.43Å; K701-E753 PolarHBondContact NZ-OE1 3.44Å; K701-E753 IonicContact NZ-OE2 3.63Å |
| 702 | K | 72.8 | Confident | 67.9 | Low | 43 Ų | 43 | 53 Ų | 53 | 19% | 0.187 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -68 | -39.3 | 168.6 | -72.2 | -170.4 | -174.9 | 176.8 | 0 | 111.9 | D636 D640 S698 I699 A704 T705 I706 | D636-K702 WeakPolarHBondContact OD1-CD 3.28Å; D636-K702 WeakPolarHBondContact OD1-CE 3.39Å; D636-K702 IonicContact OD1-NZ 3.21Å; D636-K702 PolarHBondContact OD1-NZ 3.46Å; D636-K702 IonicContact OD2-NZ 3.78Å; D636-K702 PolarHBondContact OD2-NZ 2.69Å; D640-K702 WeakPolarHBondContact OD1-CD 3.15Å; D640-K702 WeakPolarHBondContact OD1-CE 3.15Å; D640-K702 IonicContact OD1-NZ 3.63Å; D640-K702 PolarHBondContact OD1-NZ 3Å; D640-K702 IonicContact OD2-NZ 3.92Å; D640-K702 PolarHBondContact OD2-NZ 2.75Å; S698-K702 PolarHBondContact O-N 2.73Å; I699-K702 PolarHBondContact O-N 3.32Å; K702-A704 VanDerWaalsContact C-N 3.33Å; K702-A704 PolarHBondContact O-N 3.03Å; K702-T705 WeakPolarHBondContact CA-OG1 3.26Å; K702-T705 PolarHBondContact O-N 3.37Å; K702-T705 PolarHBondContact O-OG1 2.73Å; K702-I706 WeakPolarHBondContact O-CB 2.98Å; K702-I706 WeakPolarHBondContact O-CD1 3.31Å; K702-I706 WeakPolarHBondContact O-CG1 3.41Å; K702-I706 PolarHBondContact O-N 3.46Å |
| 703 | I | 73.9 | Confident | 67.5 | Low | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -59.4 | -45.7 | 169.8 | -68.7 | 161.2 | 0 | 0 | 0 | 110 | L639 L673 L676 A677 L680 I699 L700 I706 L707 F750 | L639-I703 HydrophobicContact CD1-CG1 4.25Å; L673-I703 HydrophobicContact CB-CG2 4.14Å; L673-I703 HydrophobicContact CD2-CG1 4.29Å; L676-I703 HydrophobicContact CD2-CD1 3.42Å; L676-I703 VanDerWaalsContact CD2-CD1 3.42Å; L676-I703 HydrophobicContact CD2-CG1 4.41Å; A677-I703 HydrophobicContact CB-CG2 4.43Å; L680-I703 HydrophobicContact CD1-CD1 4.43Å; I699-I703 HydrophobicContact CG2-CD1 3.74Å; I699-I703 HydrophobicContact CG2-CG1 4.5Å; I699-I703 WeakPolarHBondContact O-CB 3.36Å; I699-I703 WeakPolarHBondContact O-CD1 3.34Å; I699-I703 WeakPolarHBondContact O-CG1 3.33Å; I699-I703 PolarHBondContact O-N 3.2Å; L700-I703 HydrophobicContact CD2-CD1 4.47Å; L700-I703 PolarHBondContact O-N 3.13Å; I703-I706 PolarHBondContact O-N 3.47Å; I703-L707 HydrophobicContact CG2-CD1 3.74Å; I703-L707 HydrophobicContact CG2-CG 4.33Å; I703-L707 WeakPolarHBondContact O-CB 3.36Å; I703-L707 WeakPolarHBondContact O-CG 3.34Å; I703-L707 PolarHBondContact O-N 3.43Å; I703-F750 HydrophobicContact CG2-CZ 4.22Å |
| 704 | A | 70.7 | Confident | 66.8 | Low | 8 Ų | 8 | 60.4 Ų | 60.4 | 7% | 0.066 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -65.3 | -41.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113 | L700 K701 K702 L707 N708 F750 | L700-A704 WeakPolarHBondContact O-CB 3.29Å; L700-A704 PolarHBondContact O-N 3.41Å; K701-A704 PolarHBondContact O-N 3.45Å; K702-A704 VanDerWaalsContact C-N 3.33Å; K702-A704 PolarHBondContact O-N 3.03Å; A704-L707 PolarHBondContact O-N 2.97Å; A704-N708 WeakPolarHBondContact O-CB 3.2Å; A704-N708 PolarHBondContact O-N 2.94Å; A704-N708 PolarHBondContact O-ND2 3.48Å; A704-F750 HydrophobicContact CB-CE2 4.22Å |
| 705 | T | 76.3 | Confident | 66.3 | Low | 66 Ų | 66 | 58.9 Ų | 58.9 | 41% | 0.405 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -70.4 | -35.9 | 175.8 | 55 | 0 | 0 | 0 | 0 | 112.3 | K701 K702 N708 L709 | K701-T705 WeakPolarHBondContact O-CG2 3.41Å; K701-T705 PolarHBondContact O-N 3.17Å; K701-T705 PolarHBondContact O-OG1 2.77Å; K702-T705 WeakPolarHBondContact CA-OG1 3.26Å; K702-T705 PolarHBondContact O-N 3.37Å; K702-T705 PolarHBondContact O-OG1 2.73Å; T705-N708 PolarHBondContact O-N 3.42Å; T705-L709 WeakPolarHBondContact O-CB 3.42Å; T705-L709 PolarHBondContact O-N 3.31Å |
| 706 | I | 71.5 | Confident | 65.7 | Low | 1 Ų | 1 | 59.8 Ų | 59.8 | 1% | 0.005 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -63.2 | -47.1 | 170.7 | -69.1 | 162.6 | 0 | 0 | 0 | 110.1 | L639 L642 H643 L646 L673 K702 I703 N708 L709 L710 | L639-I706 HydrophobicContact CB-CD1 4.36Å; L639-I706 HydrophobicContact CD2-CD1 3.85Å; L642-I706 HydrophobicContact CD2-CD1 4.48Å; H643-I706 HydrophobicContact CB-CD1 4.16Å; H643-I706 HydrophobicContact CB-CG1 4.06Å; H643-I706 WeakPolarHBondContact ND1-CG1 3.45Å; L646-I706 HydrophobicContact CD1-CG2 3.75Å; L673-I706 HydrophobicContact CD1-CB 4.47Å; L673-I706 HydrophobicContact CD1-CG2 3.68Å; K702-I706 WeakPolarHBondContact O-CB 2.98Å; K702-I706 WeakPolarHBondContact O-CD1 3.31Å; K702-I706 WeakPolarHBondContact O-CG1 3.41Å; K702-I706 PolarHBondContact O-N 3.46Å; I703-I706 PolarHBondContact O-N 3.47Å; I706-N708 PolarHBondContact O-N 3.12Å; I706-L709 CarbonylContact O-C 3.59Å; I706-L709 PolarHBondContact O-N 2.76Å; I706-L710 HydrophobicContact CG2-CD1 4.13Å; I706-L710 VanDerWaalsContact O-CG 3.27Å; I706-L710 WeakPolarHBondContact O-CG 3.24Å; I706-L710 PolarHBondContact O-N 3.47Å |
| 707 | L | 69.1 | Low | 65.1 | Low | 13 Ų | 13 | 62.1 Ų | 62.1 | 7% | 0.068 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -62.4 | -39 | 176.6 | -70.6 | 169.8 | 0 | 0 | 0 | 112.4 | V670 L673 I703 A704 L710 V711 Y754 | V670-L707 HydrophobicContact CB-CD2 4.3Å; V670-L707 HydrophobicContact CG1-CD2 4.29Å; V670-L707 HydrophobicContact CG2-CD2 3.81Å; L673-L707 HydrophobicContact CD1-CD2 4.5Å; I703-L707 HydrophobicContact CG2-CD1 3.74Å; I703-L707 HydrophobicContact CG2-CG 4.33Å; I703-L707 WeakPolarHBondContact O-CB 3.36Å; I703-L707 WeakPolarHBondContact O-CG 3.34Å; I703-L707 PolarHBondContact O-N 3.43Å; A704-L707 PolarHBondContact O-N 2.97Å; L707-L710 HydrophobicContact CD2-CD1 4.49Å; L707-L710 WeakPolarHBondContact O-CB 3.45Å; L707-L710 PolarHBondContact O-N 3.29Å; L707-V711 WeakPolarHBondContact O-CG2 3.19Å; L707-V711 PolarHBondContact O-N 3.42Å; L707-V711 VanDerWaalsContact O-N 3.07Å; L707-Y754 HydrophobicContact CB-CE2 3.72Å |
| 708 | N | 69.1 | Low | 64.2 | Low | 69 Ų | 69 | 57.1 Ų | 57.1 | 37% | 0.369 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -68.3 | -39.1 | 174.2 | -71.7 | -17 | 0 | 0 | 0 | 112.1 | A704 T705 I706 L710 V711 G712 Y754 | A704-N708 WeakPolarHBondContact O-CB 3.2Å; A704-N708 PolarHBondContact O-N 2.94Å; A704-N708 PolarHBondContact O-ND2 3.48Å; T705-N708 PolarHBondContact O-N 3.42Å; I706-N708 PolarHBondContact O-N 3.12Å; N708-L710 PolarHBondContact O-N 3Å; N708-V711 PolarHBondContact O-N 2.84Å; N708-G712 PolarHBondContact O-N 3.4Å; N708-Y754 WeakPolarHBondContact OD1-CD2 3.47Å; N708-Y754 WeakPolarHBondContact OD1-CE2 3.31Å |
| 709 | L | 70.3 | Confident | 63.2 | Low | 46 Ų | 46 | 56.8 Ų | 56.8 | 24% | 0.241 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -70.2 | -10.8 | 172.6 | -165 | 130.8 | 0 | 0 | 0 | 112.6 | L646 V647 R650 T705 I706 | L646-L709 HydrophobicContact CB-CD2 4.44Å; V647-L709 HydrophobicContact CG2-CD1 3.72Å; V647-L709 HydrophobicContact CG2-CD2 4Å; R650-L709 VanDerWaalsContact CD-O 3.31Å; R650-L709 WeakPolarHBondContact CD-O 3.38Å; R650-L709 PolarHBondContact NE-O 3Å; R650-L709 PolarHBondContact NH1-O 3.22Å; R650-L709 PolarHBondContact NH2-O 3.41Å; T705-L709 WeakPolarHBondContact O-CB 3.42Å; T705-L709 PolarHBondContact O-N 3.31Å; I706-L709 CarbonylContact O-C 3.59Å; I706-L709 PolarHBondContact O-N 2.76Å |
| 710 | L | 63.9 | Low | 62.5 | Low | 12 Ų | 12 | 59.4 Ų | 59.4 | 6% | 0.063 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -87.8 | -39.1 | 167 | -70.5 | 169.1 | 0 | 0 | 0 | 111.7 | L646 R650 H666 T669 V670 I706 L707 N708 | L646-L710 HydrophobicContact CD2-CD2 4.35Å; R650-L710 PolarHBondContact NH2-O 3.49Å; H666-L710 PolarHBondContact CE1-O 2.96Å; H666-L710 WeakPolarHBondContact ND1-CD2 3.3Å; T669-L710 WeakPolarHBondContact OG1-CD1 3.16Å; V670-L710 HydrophobicContact CG2-CD1 4.37Å; I706-L710 HydrophobicContact CG2-CD1 4.13Å; I706-L710 VanDerWaalsContact O-CG 3.27Å; I706-L710 WeakPolarHBondContact O-CG 3.24Å; I706-L710 PolarHBondContact O-N 3.47Å; L707-L710 HydrophobicContact CD2-CD1 4.49Å; L707-L710 WeakPolarHBondContact O-CB 3.45Å; L707-L710 PolarHBondContact O-N 3.29Å; N708-L710 PolarHBondContact O-N 3Å |
| 711 | V | 61.1 | Low | 61.2 | Low | 43 Ų | 43 | 62.7 Ų | 62.7 | 26% | 0.261 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -64.3 | -60.7 | 178.5 | 177.1 | 0 | 0 | 0 | 0 | 112.3 | R650 L707 N708 F719 Y754 | R650-V711 VanDerWaalsContact NH2-C 3.34Å; R650-V711 PolarHBondContact NH2-O 3.18Å; L707-V711 WeakPolarHBondContact O-CG2 3.19Å; L707-V711 PolarHBondContact O-N 3.42Å; L707-V711 VanDerWaalsContact O-N 3.07Å; N708-V711 PolarHBondContact O-N 2.84Å; V711-F719 HydrophobicContact CG2-CD1 3.98Å; V711-F719 HydrophobicContact CG2-CD2 3.82Å; V711-F719 HydrophobicContact CG2-CE1 4.05Å; V711-F719 HydrophobicContact CG2-CE2 3.9Å; V711-F719 HydrophobicContact CG2-CG 3.87Å; V711-F719 HydrophobicContact CG2-CZ 4.03Å; V711-Y754 WeakPolarHBondContact CG2-OH 3.32Å |
| 712 | G | 55.3 | Low | 59.9 | Low | 20 Ų | 20 | 58.1 Ų | 58.1 | 21% | 0.206 | 31% | 0.314 | C | S | . | . | trans | 68.3 | 163.8 | -176.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | R650 N708 N714 | R650-G712 VanDerWaalsContact NH2-CA 3.31Å; N708-G712 PolarHBondContact O-N 3.4Å; G712-N714 PolarHBondContact O-N 3.11Å | ||
| 713 | E | 53.2 | Low | 58.9 | Low | 193 Ų | 193 | 57.6 Ų | 57.6 | 90% | 0.902 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.1 | -22.7 | -158.6 | -60 | -178.7 | 141.1 | 0 | 0 | 115.3 | ||
| 714 | N | 46.1 | Very low | 57.6 | Low | 149 Ų | 149 | 66.7 Ų | 66.7 | 80% | 0.797 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -120.9 | 4.7 | -164.4 | -77.8 | -44.1 | 0 | 0 | 0 | 116.9 | G712 | G712-N714 PolarHBondContact O-N 3.11Š|
| 715 | K | 50.8 | Low | 56.4 | Low | 130 Ų | 130 | 72.1 Ų | 72.1 | 57% | 0.565 | 37% | 0.373 | S | S | * | . | trans | -138.1 | 57.2 | -179.4 | -67.4 | -172.3 | -179.3 | 174.9 | 0 | 115.1 | S717 I718 | K715-S717 VanDerWaalsContact C-N 3.25Å; K715-S717 PolarHBondContact O-N 2.86Å; K715-I718 HydrophobicContact CD-CD1 4.02Å | ||
| 716 | P | 52.8 | Low | 54.9 | Low | 80 Ų | 80 | 70.7 Ų | 70.7 | 52% | 0.519 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -64.7 | -22.2 | -179.2 | 27.2 | -35.6 | 0 | 0 | 0 | 114.6 | N720 | P716-N720 PolarHBondContact O-N 3.47Å; P716-N720 VanDerWaalsContact O-N 3.13Å; P716-N720 PolarHBondContact O-ND2 3.42Å |
| 717 | S | 52.6 | Low | 53.2 | Low | 87 Ų | 87 | 76.7 Ų | 76.7 | 61% | 0.608 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -64 | -50.1 | -179.5 | 48.9 | 0 | 0 | 0 | 0 | 112.8 | K715 F719 N720 E721 | K715-S717 VanDerWaalsContact C-N 3.25Å; K715-S717 PolarHBondContact O-N 2.86Å; S717-F719 VanDerWaalsContact C-N 3.28Å; S717-F719 PolarHBondContact O-N 2.85Å; S717-N720 PolarHBondContact O-N 3.41Å; S717-E721 PolarHBondContact O-N 3.41Å |
| 718 | I | 49.8 | Very low | 52 | Low | 69 Ų | 69 | 82.5 Ų | 82.5 | 35% | 0.354 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -61.1 | -39.7 | -178.4 | -56.4 | 179.3 | 0 | 0 | 0 | 110.7 | I663 K715 E721 A722 | I663-I718 HydrophobicContact CD1-CG2 3.92Å; I663-I718 HydrophobicContact CG1-CG2 3.99Å; K715-I718 HydrophobicContact CD-CD1 4.02Å; I718-E721 PolarHBondContact O-N 3.26Å; I718-A722 WeakPolarHBondContact O-CB 3.38Å; I718-A722 PolarHBondContact O-N 2.95Å |
| 719 | F | 52.1 | Low | 50.7 | Low | 38 Ų | 38 | 83.7 Ų | 83.7 | 17% | 0.167 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -67.3 | -42.8 | 177.1 | -176 | -100 | 0 | 0 | 0 | 112.8 | V670 V711 S717 E721 A722 V723 Y754 | V670-F719 HydrophobicContact CG2-CE2 4.39Å; V711-F719 HydrophobicContact CG2-CD1 3.98Å; V711-F719 HydrophobicContact CG2-CD2 3.82Å; V711-F719 HydrophobicContact CG2-CE1 4.05Å; V711-F719 HydrophobicContact CG2-CE2 3.9Å; V711-F719 HydrophobicContact CG2-CG 3.87Å; V711-F719 HydrophobicContact CG2-CZ 4.03Å; S717-F719 VanDerWaalsContact C-N 3.28Å; S717-F719 PolarHBondContact O-N 2.85Å; F719-E721 VanDerWaalsContact C-N 3.25Å; F719-E721 PolarHBondContact O-N 2.83Å; F719-A722 PolarHBondContact O-N 2.94Å; F719-V723 HydrophobicContact CD1-CG2 4.22Å; F719-V723 HydrophobicContact CE1-CG2 3.67Å; F719-V723 HydrophobicContact CE2-CG2 4.08Å; F719-V723 HydrophobicContact CZ-CG2 3.58Å; F719-V723 WeakPolarHBondContact O-CB 3.36Å; F719-V723 WeakPolarHBondContact O-CG2 3.32Å; F719-V723 PolarHBondContact O-N 3.38Å; F719-Y754 HydrophobicContact CE1-CE1 4.45Å; F719-Y754 WeakPolarHBondContact CE1-OH 3.49Å; F719-Y754 HydrophobicContact CZ-CE1 4.41Å; F719-Y754 WeakPolarHBondContact CZ-OH 3.43Å |
| 720 | N | 53.4 | Low | 49.3 | Very low | 54 Ų | 54 | 85.3 Ų | 85.3 | 29% | 0.289 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -63.1 | -34.1 | 175.3 | -81.1 | -90.5 | 0 | 0 | 0 | 111.9 | P716 S717 R724 R758 | P716-N720 PolarHBondContact O-N 3.47Å; P716-N720 VanDerWaalsContact O-N 3.13Å; P716-N720 PolarHBondContact O-ND2 3.42Å; S717-N720 PolarHBondContact O-N 3.41Å; N720-R724 WeakPolarHBondContact O-CB 3.22Å; N720-R724 VanDerWaalsContact O-CG 3.29Å; N720-R724 WeakPolarHBondContact O-CG 3.39Å; N720-R724 PolarHBondContact O-N 3.31Å; N720-R758 PolarHBondContact OD1-NH2 3.38Å |
| 721 | E | 47.5 | Very low | 47.9 | Very low | 83 Ų | 83 | 89.3 Ų | 89.3 | 39% | 0.388 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -72.5 | -44.5 | 178.7 | -160.1 | 54.4 | -147.6 | 0 | 0 | 112 | S717 I718 F719 V723 R724 Q725 | S717-E721 PolarHBondContact O-N 3.41Å; I718-E721 PolarHBondContact O-N 3.26Å; F719-E721 VanDerWaalsContact C-N 3.25Å; F719-E721 PolarHBondContact O-N 2.83Å; E721-V723 VanDerWaalsContact C-N 3.28Å; E721-V723 PolarHBondContact O-N 3.43Å; E721-R724 PolarHBondContact O-N 2.96Å; E721-R724 VanDerWaalsContact O-N 3.17Å; E721-R724 IonicContact OE2-NH1 2.72Å; E721-Q725 WeakPolarHBondContact O-CG 3.3Å; E721-Q725 PolarHBondContact O-N 3.09Å; E721-Q725 VanDerWaalsContact O-N 3.17Å; E721-Q725 PolarHBondContact OE1-NE2 3.11Å |
| 722 | A | 46.8 | Very low | 46.8 | Very low | 17 Ų | 17 | 95 Ų | 95 | 14% | 0.14 | 50% | 0.498 | C | S | . | . | H | α-helix | trans | -60.1 | -36.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | H667 I718 F719 | H667-A722 PolarHBondContact CE1-O 2.88Å; I718-A722 WeakPolarHBondContact O-CB 3.38Å; I718-A722 PolarHBondContact O-N 2.95Å; F719-A722 PolarHBondContact O-N 2.94Å |
| 723 | V | 50.1 | Low | 46 | Very low | 32 Ų | 32 | 102.5 Ų | 102.5 | 19% | 0.194 | 53% | 0.528 | C | S | . | . | H | α-helix | trans | -71.1 | -37.6 | 175.1 | 169.4 | 0 | 0 | 0 | 0 | 112.1 | F719 E721 Q725 L726 F729 | F719-V723 HydrophobicContact CD1-CG2 4.22Å; F719-V723 HydrophobicContact CE1-CG2 3.67Å; F719-V723 HydrophobicContact CE2-CG2 4.08Å; F719-V723 HydrophobicContact CZ-CG2 3.58Å; F719-V723 WeakPolarHBondContact O-CB 3.36Å; F719-V723 WeakPolarHBondContact O-CG2 3.32Å; F719-V723 PolarHBondContact O-N 3.38Å; E721-V723 VanDerWaalsContact C-N 3.28Å; E721-V723 PolarHBondContact O-N 3.43Å; V723-Q725 VanDerWaalsContact C-N 3.33Å; V723-Q725 PolarHBondContact O-N 3.35Å; V723-L726 PolarHBondContact O-N 2.95Å; V723-F729 HydrophobicContact CG1-CD2 3.92Å; V723-F729 HydrophobicContact CG1-CE2 3.79Å; V723-F729 HydrophobicContact CG1-CG 4.45Å; V723-F729 HydrophobicContact CG1-CZ 4.22Å |
| 724 | R | 47.4 | Very low | 44.9 | Very low | 190 Ų | 190 | 101 Ų | 101 | 72% | 0.717 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -65 | -32.1 | 177.4 | -82.6 | 170.4 | 168.4 | 174.9 | -5.5 | 113.9 | N720 E721 L726 | N720-R724 WeakPolarHBondContact O-CB 3.22Å; N720-R724 VanDerWaalsContact O-CG 3.29Å; N720-R724 WeakPolarHBondContact O-CG 3.39Å; N720-R724 PolarHBondContact O-N 3.31Å; E721-R724 PolarHBondContact O-N 2.96Å; E721-R724 VanDerWaalsContact O-N 3.17Å; E721-R724 IonicContact OE2-NH1 2.72Å; R724-L726 VanDerWaalsContact C-N 3.28Å; R724-L726 PolarHBondContact O-N 3.27Å |
| 725 | Q | 46 | Very low | 44.2 | Very low | 122 Ų | 122 | 99.5 Ų | 99.5 | 57% | 0.57 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.5 | 0.4 | -176.7 | -65.1 | 179.4 | 15.9 | 0 | 0 | 113.8 | E721 V723 | E721-Q725 WeakPolarHBondContact O-CG 3.3Å; E721-Q725 PolarHBondContact O-N 3.09Å; E721-Q725 VanDerWaalsContact O-N 3.17Å; E721-Q725 PolarHBondContact OE1-NE2 3.11Å; V723-Q725 VanDerWaalsContact C-N 3.33Å; V723-Q725 PolarHBondContact O-N 3.35Å |
| 726 | L | 44.1 | Very low | 43.1 | Very low | 36 Ų | 36 | 99.6 Ų | 99.6 | 19% | 0.188 | 53% | 0.525 | C | S | . | . | S | Bend | trans | -93.9 | 93.9 | 172.7 | -70.2 | 172.2 | 0 | 0 | 0 | 110.4 | V723 R724 D728 F729 | V723-L726 PolarHBondContact O-N 2.95Å; R724-L726 VanDerWaalsContact C-N 3.28Å; R724-L726 PolarHBondContact O-N 3.27Å; L726-D728 PolarHBondContact O-N 3.15Å; L726-F729 PolarHBondContact O-N 3.14Å |
| 727 | C | 36.3 | Very low | 42.1 | Very low | 127 Ų | 127 | 105.9 Ų | 105.9 | 86% | 0.858 | 54% | 0.54 | S | S | * | . | S | Bend | trans | -57.6 | 5.2 | -169.1 | -55.5 | 0 | 0 | 0 | 0 | 118.5 | ||
| 728 | D | 43.7 | Very low | 41.1 | Very low | 136 Ų | 136 | 110.1 Ų | 110.1 | 73% | 0.727 | 55% | 0.554 | S | S | * | * | trans | -128 | 43.7 | 178.9 | -83.1 | -59.1 | 0 | 0 | 0 | 111.2 | R674 L726 | R674-D728 VanDerWaalsContact CZ-O 3.31Å; R674-D728 PolarHBondContact NH1-O 3.02Å; R674-D728 PolarHBondContact NH2-O 2.95Å; L726-D728 PolarHBondContact O-N 3.15Å | ||
| 729 | F | 42.5 | Very low | 40.1 | Very low | 93 Ų | 93 | 113.3 Ų | 113.3 | 41% | 0.408 | 57% | 0.572 | S | S | . | * | trans | -89.1 | 124.3 | 166.7 | -132.2 | -83.1 | 0 | 0 | 0 | 109.6 | V723 L726 D731 | V723-F729 HydrophobicContact CG1-CD2 3.92Å; V723-F729 HydrophobicContact CG1-CE2 3.79Å; V723-F729 HydrophobicContact CG1-CG 4.45Å; V723-F729 HydrophobicContact CG1-CZ 4.22Å; L726-F729 PolarHBondContact O-N 3.14Å; F729-D731 PolarHBondContact O-N 3.04Å | ||
| 730 | P | 39.9 | Very low | 38.8 | Very low | 80 Ų | 80 | 116.9 Ų | 116.9 | 52% | 0.519 | 60% | 0.601 | S | S | . | * | trans | -71.5 | 118.6 | -172.5 | 27.1 | -34.4 | 0 | 0 | 0 | 111.8 | R674 I732 | R674-P730 VanDerWaalsContact NH2-CD 3.31Å; P730-I732 PolarHBondContact O-N 3.04Å; P730-I732 VanDerWaalsContact O-N 3.14Å | ||
| 731 | D | 34.5 | Very low | 37.6 | Very low | 97 Ų | 97 | 119 Ų | 119 | 52% | 0.519 | 62% | 0.621 | S | S | . | * | trans | -55.5 | 112.6 | 164.7 | -77.1 | -22 | 0 | 0 | 0 | 109.5 | F729 E733 K734 | F729-D731 PolarHBondContact O-N 3.04Å; D731-E733 PolarHBondContact O-N 2.83Å; D731-E733 VanDerWaalsContact O-N 3.11Å; D731-K734 HydrophobicContact CB-CD 4.33Å; D731-K734 PolarHBondContact O-N 3.35Å; D731-K734 IonicContact OD2-NZ 3.68Å; D731-K734 PolarHBondContact OD2-NZ 3.42Å | ||
| 732 | I | 39 | Very low | 36.8 | Very low | 162 Ų | 162 | 120.4 Ų | 120.4 | 83% | 0.831 | 64% | 0.64 | S | S | * | * | G | 310 helix | trans | -63.5 | -19.2 | -178.7 | -66.9 | 174.7 | 0 | 0 | 0 | 111.8 | P730 | P730-I732 PolarHBondContact O-N 3.04Å; P730-I732 VanDerWaalsContact O-N 3.14Å |
| 733 | E | 37.2 | Very low | 36.3 | Very low | 177 Ų | 177 | 126 Ų | 126 | 83% | 0.827 | 67% | 0.673 | S | S | * | * | G | 310 helix | trans | -88.4 | -2.7 | -174.9 | -58.1 | -172.5 | 149.5 | 0 | 0 | 115 | D731 | D731-E733 PolarHBondContact O-N 2.83Å; D731-E733 VanDerWaalsContact O-N 3.11Å |
| 734 | K | 31.4 | Very low | 35.9 | Very low | 161 Ų | 161 | 126.8 Ų | 126.8 | 70% | 0.7 | 68% | 0.675 | S | S | * | * | G | 310 helix | trans | -105.8 | 5.3 | -177.1 | -76.7 | 176.4 | -173.3 | 144.6 | 0 | 115.9 | D731 N736 | D731-K734 HydrophobicContact CB-CD 4.33Å; D731-K734 PolarHBondContact O-N 3.35Å; D731-K734 IonicContact OD2-NZ 3.68Å; D731-K734 PolarHBondContact OD2-NZ 3.42Å; K734-N736 PolarHBondContact O-N 3Å |
| 735 | C | 29.9 | Very low | 36.1 | Very low | 118 Ų | 118 | 123.5 Ų | 123.5 | 80% | 0.797 | 68% | 0.676 | S | S | * | * | trans | -98 | 57.9 | 177.3 | -71.9 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 736 | N | 28.2 | Very low | 36.3 | Very low | 133 Ų | 133 | 119.2 Ų | 119.2 | 71% | 0.711 | 66% | 0.66 | S | S | * | * | trans | -107.2 | 131.8 | 169.5 | -76.5 | -51.6 | 0 | 0 | 0 | 110.2 | K734 | K734-N736 PolarHBondContact O-N 3Š| ||
| 737 | Y | 30.9 | Very low | 36.7 | Very low | 212 Ų | 212 | 120.9 Ų | 120.9 | 83% | 0.831 | 67% | 0.665 | S | S | * | * | trans | 63.6 | 73.8 | 177.5 | -66.8 | -81.1 | 0 | 0 | 0 | 118.3 | ||||
| 738 | I | 31.9 | Very low | 37.5 | Very low | 175 Ų | 175 | 120.1 Ų | 120.1 | 90% | 0.897 | 65% | 0.651 | S | S | * | * | -132.4 | 141.5 | 129.8 | -65.3 | -171.8 | 0 | 0 | 0 | 107.4 | |||||
| 739 | D | 29 | Very low | 38.1 | Very low | 137 Ų | 137 | 116.5 Ų | 116.5 | 73% | 0.733 | 64% | 0.636 | S | S | * | * | trans | -81.3 | 165.6 | -157.3 | -68.3 | -68.9 | 0 | 0 | 0 | 118 | S741 | D739-S741 PolarHBondContact O-N 3.33Š| ||
| 740 | S | 26.2 | Very low | 39 | Very low | 112 Ų | 112 | 112.9 Ų | 112.9 | 78% | 0.783 | 62% | 0.62 | S | S | * | * | trans | -43.2 | 116.9 | -178.6 | 55.4 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 741 | S | 28 | Very low | 39.7 | Very low | 99 Ų | 99 | 112.9 Ų | 112.9 | 69% | 0.692 | 61% | 0.612 | S | S | * | * | S | Bend | -180 | 144.2 | 113.5 | 38.6 | 0 | 0 | 0 | 0 | 111.9 | D739 | D739-S741 PolarHBondContact O-N 3.33Š| |
| 742 | S | 29.9 | Very low | 40.6 | Very low | 113 Ų | 113 | 113 Ų | 113 | 79% | 0.79 | 61% | 0.609 | S | S | * | * | trans | 43.3 | 82.8 | 174.8 | 50.7 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 743 | T | 36 | Very low | 41.1 | Very low | 135 Ų | 135 | 110 Ų | 110 | 83% | 0.828 | 59% | 0.592 | S | S | * | * | trans | -121.7 | 145.8 | 164.7 | 44.4 | 0 | 0 | 0 | 0 | 111 | T745 | T743-T745 PolarHBondContact O-N 3.47Š| ||
| 744 | D | 41.7 | Very low | 41.6 | Very low | 47 Ų | 47 | 103.7 Ų | 103.7 | 25% | 0.251 | 56% | 0.561 | S | S | . | * | trans | -77.1 | 120.8 | -156.2 | -109.1 | 26.3 | 0 | 0 | 0 | 114.5 | N684 S746 Y747 | N684-D744 VanDerWaalsContact ND2-CG 3.27Å; N684-D744 PolarHBondContact ND2-OD1 3.1Å; D744-S746 WeakPolarHBondContact CB-OG 3.47Å; D744-S746 VanDerWaalsContact CG-OG 3.32Å; D744-S746 PolarHBondContact O-N 3.1Å; D744-S746 PolarHBondContact OD2-OG 3.47Å; D744-Y747 WeakPolarHBondContact O-CB 3.29Å; D744-Y747 PolarHBondContact O-N 2.91Å | ||
| 745 | T | 51.2 | Low | 42.3 | Very low | 121 Ų | 121 | 97.9 Ų | 97.9 | 74% | 0.742 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -64.1 | -18.9 | 166.3 | 50.1 | 0 | 0 | 0 | 0 | 112.7 | T743 Y747 S749 | T743-T745 PolarHBondContact O-N 3.47Å; T745-Y747 VanDerWaalsContact C-N 3.32Å; T745-S749 WeakPolarHBondContact O-CB 3.17Å; T745-S749 PolarHBondContact O-N 2.91Å; T745-S749 VanDerWaalsContact O-N 3.15Å; T745-S749 PolarHBondContact O-OG 2.9Å |
| 746 | S | 50.9 | Low | 42.7 | Very low | 33 Ų | 33 | 98.8 Ų | 98.8 | 23% | 0.231 | 54% | 0.537 | C | S | . | . | H | α-helix | trans | -65.7 | -32.7 | 170.8 | 76.9 | 0 | 0 | 0 | 0 | 112.4 | L681 D744 S749 F750 | L681-S746 VanDerWaalsContact CD2-OG 3.25Å; L681-S746 WeakPolarHBondContact CD2-OG 3.35Å; D744-S746 WeakPolarHBondContact CB-OG 3.47Å; D744-S746 VanDerWaalsContact CG-OG 3.32Å; D744-S746 PolarHBondContact O-N 3.1Å; D744-S746 PolarHBondContact OD2-OG 3.47Å; S746-S749 WeakPolarHBondContact CA-OG 3.46Å; S746-S749 PolarHBondContact O-OG 3.22Å; S746-F750 WeakPolarHBondContact O-CB 3.47Å; S746-F750 PolarHBondContact O-N 3.01Å; S746-F750 VanDerWaalsContact O-N 3.13Å |
| 747 | Y | 51.6 | Low | 43 | Very low | 71 Ų | 71 | 97.1 Ų | 97.1 | 28% | 0.278 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -69 | -45 | -178.8 | -152.5 | -66.3 | 0 | 0 | 0 | 110.8 | L681 Q682 D744 T745 F751 | L681-Y747 HydrophobicContact CB-CD2 3.54Å; L681-Y747 HydrophobicContact CB-CE2 3.74Å; L681-Y747 HydrophobicContact CB-CG 4.4Å; L681-Y747 HydrophobicContact CD1-CD2 4.2Å; L681-Y747 HydrophobicContact CD1-CE2 4.35Å; L681-Y747 HydrophobicContact CD1-CG 4.37Å; L681-Y747 HydrophobicContact CG-CD2 4.37Å; Q682-Y747 HydrophobicContact CG-CE2 4.12Å; D744-Y747 WeakPolarHBondContact O-CB 3.29Å; D744-Y747 PolarHBondContact O-N 2.91Å; T745-Y747 VanDerWaalsContact C-N 3.32Å; Y747-F751 AromaticContact CD1-CD2 3.96Å; Y747-F751 HydrophobicContact CD1-CD2 3.96Å; Y747-F751 HydrophobicContact CD1-CE2 4.08Å; Y747-F751 AromaticContact CE1-CD2 3.84Å; Y747-F751 HydrophobicContact CE1-CD2 3.84Å; Y747-F751 AromaticContact CE1-CE2 3.54Å; Y747-F751 HydrophobicContact CE1-CE2 3.54Å; Y747-F751 WeakPolarHBondContact O-CD2 3.47Å |
| 748 | I | 53.7 | Low | 42.9 | Very low | 111 Ų | 111 | 94.6 Ų | 94.6 | 57% | 0.569 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -69.1 | -49.6 | 178.8 | -60.7 | 176.1 | 0 | 0 | 0 | 110.1 | F750 F751 E752 | I748-F750 VanDerWaalsContact C-N 3.34Å; I748-F750 PolarHBondContact O-N 2.96Å; I748-F751 PolarHBondContact O-N 3.17Å; I748-E752 HydrophobicContact CG2-CG 4.22Å; I748-E752 PolarHBondContact O-N 3.37Å |
| 749 | S | 55.8 | Low | 42.6 | Very low | 59 Ų | 59 | 93.5 Ų | 93.5 | 41% | 0.413 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.1 | -32.6 | -176.1 | 51.3 | 0 | 0 | 0 | 0 | 114.3 | T745 S746 E752 E753 | T745-S749 WeakPolarHBondContact O-CB 3.17Å; T745-S749 PolarHBondContact O-N 2.91Å; T745-S749 VanDerWaalsContact O-N 3.15Å; T745-S749 PolarHBondContact O-OG 2.9Å; S746-S749 WeakPolarHBondContact CA-OG 3.46Å; S746-S749 PolarHBondContact O-OG 3.22Å; S749-E752 PolarHBondContact O-N 3.42Å; S749-E753 PolarHBondContact O-N 3.43Å |
| 750 | F | 61 | Low | 42.6 | Very low | 18 Ų | 18 | 93 Ų | 93 | 8% | 0.079 | 53% | 0.527 | C | S | . | . | H | α-helix | trans | -63.6 | -47 | 172.8 | 173.9 | -107.9 | 0 | 0 | 0 | 112.3 | A677 L681 L700 I703 A704 S746 I748 E752 E753 Y754 | A677-F750 HydrophobicContact CB-CE1 3.93Å; A677-F750 HydrophobicContact CB-CZ 3.93Å; L681-F750 HydrophobicContact CD1-CB 4.4Å; L681-F750 HydrophobicContact CD1-CD1 3.84Å; L681-F750 HydrophobicContact CD1-CE1 4.47Å; L681-F750 HydrophobicContact CD1-CG 4.29Å; L700-F750 HydrophobicContact CB-CD2 4.01Å; L700-F750 HydrophobicContact CB-CE2 4.13Å; L700-F750 HydrophobicContact CD2-CD2 3.96Å; L700-F750 HydrophobicContact CD2-CE2 3.86Å; L700-F750 HydrophobicContact CD2-CG 4.39Å; L700-F750 HydrophobicContact CD2-CZ 4.22Å; L700-F750 HydrophobicContact CG-CD2 4.43Å; L700-F750 WeakPolarHBondContact O-CE2 3.44Å; I703-F750 HydrophobicContact CG2-CZ 4.22Å; A704-F750 HydrophobicContact CB-CE2 4.22Å; S746-F750 WeakPolarHBondContact O-CB 3.47Å; S746-F750 PolarHBondContact O-N 3.01Å; S746-F750 VanDerWaalsContact O-N 3.13Å; I748-F750 VanDerWaalsContact C-N 3.34Å; I748-F750 PolarHBondContact O-N 2.96Å; F750-E752 VanDerWaalsContact C-N 3.32Å; F750-E752 PolarHBondContact O-N 3.12Å; F750-E753 PolarHBondContact O-N 2.89Å; F750-Y754 PolarHBondContact O-N 3.29Å; F750-Y754 VanDerWaalsContact O-N 3.15Å |
| 751 | F | 54.7 | Low | 42.4 | Very low | 79 Ų | 79 | 95 Ų | 95 | 35% | 0.346 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -72.9 | -22.7 | 176.4 | -78.1 | -74.4 | 0 | 0 | 0 | 112.9 | Y747 I748 G755 | Y747-F751 AromaticContact CD1-CD2 3.96Å; Y747-F751 HydrophobicContact CD1-CD2 3.96Å; Y747-F751 HydrophobicContact CD1-CE2 4.08Å; Y747-F751 AromaticContact CE1-CD2 3.84Å; Y747-F751 HydrophobicContact CE1-CD2 3.84Å; Y747-F751 AromaticContact CE1-CE2 3.54Å; Y747-F751 HydrophobicContact CE1-CE2 3.54Å; Y747-F751 WeakPolarHBondContact O-CD2 3.47Å; I748-F751 PolarHBondContact O-N 3.17Å; F751-G755 WeakPolarHBondContact O-CA 3.43Å; F751-G755 PolarHBondContact O-N 3.24Å |
| 752 | E | 53.6 | Low | 42.3 | Very low | 99 Ų | 99 | 95.1 Ų | 95.1 | 46% | 0.463 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -73.5 | -41.5 | 168.6 | -75.8 | -170 | 172.3 | 0 | 0 | 113.8 | I748 S749 F750 Y754 G755 K756 | I748-E752 HydrophobicContact CG2-CG 4.22Å; I748-E752 PolarHBondContact O-N 3.37Å; S749-E752 PolarHBondContact O-N 3.42Å; F750-E752 VanDerWaalsContact C-N 3.32Å; F750-E752 PolarHBondContact O-N 3.12Å; E752-Y754 VanDerWaalsContact C-N 3.27Å; E752-Y754 PolarHBondContact O-N 3.1Å; E752-G755 PolarHBondContact O-N 2.74Å; E752-K756 WeakPolarHBondContact O-CD 3.49Å; E752-K756 VanDerWaalsContact O-CG 3.24Å; E752-K756 WeakPolarHBondContact O-CG 3.42Å; E752-K756 PolarHBondContact O-N 3.46Å; E752-K756 IonicContact OE2-NZ 2.84Å |
| 753 | E | 49.9 | Very low | 42.2 | Very low | 101 Ų | 101 | 95.7 Ų | 95.7 | 47% | 0.472 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61.8 | -38.4 | 172.9 | -84.6 | -158.5 | 139.5 | 0 | 0 | 110.6 | K701 S749 F750 | K701-E753 IonicContact NZ-OE1 3.43Å; K701-E753 PolarHBondContact NZ-OE1 3.44Å; K701-E753 IonicContact NZ-OE2 3.63Å; S749-E753 PolarHBondContact O-N 3.43Å; F750-E753 PolarHBondContact O-N 2.89Å |
| 754 | Y | 49 | Very low | 41.6 | Very low | 43 Ų | 43 | 99.4 Ų | 99.4 | 17% | 0.169 | 53% | 0.526 | C | S | . | . | H | α-helix | trans | -67.7 | -42.2 | 172.7 | -163.1 | -117.5 | 0 | 0 | 0 | 112.4 | L707 N708 V711 F719 F750 E752 K756 S757 | L707-Y754 HydrophobicContact CB-CE2 3.72Å; N708-Y754 WeakPolarHBondContact OD1-CD2 3.47Å; N708-Y754 WeakPolarHBondContact OD1-CE2 3.31Å; V711-Y754 WeakPolarHBondContact CG2-OH 3.32Å; F719-Y754 HydrophobicContact CE1-CE1 4.45Å; F719-Y754 WeakPolarHBondContact CE1-OH 3.49Å; F719-Y754 HydrophobicContact CZ-CE1 4.41Å; F719-Y754 WeakPolarHBondContact CZ-OH 3.43Å; F750-Y754 PolarHBondContact O-N 3.29Å; F750-Y754 VanDerWaalsContact O-N 3.15Å; E752-Y754 VanDerWaalsContact C-N 3.27Å; E752-Y754 PolarHBondContact O-N 3.1Å; Y754-K756 VanDerWaalsContact C-N 3.35Å; Y754-K756 PolarHBondContact O-N 3.38Å; Y754-S757 PolarHBondContact O-OG 3.12Å |
| 755 | G | 46.1 | Very low | 40.9 | Very low | 39 Ų | 39 | 104.4 Ų | 104.4 | 40% | 0.402 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -70.7 | -20 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | F751 E752 S757 R758 | F751-G755 WeakPolarHBondContact O-CA 3.43Å; F751-G755 PolarHBondContact O-N 3.24Å; E752-G755 PolarHBondContact O-N 2.74Å; G755-S757 PolarHBondContact O-N 3Å; G755-S757 VanDerWaalsContact O-N 3.08Å; G755-R758 VanDerWaalsContact O-CB 3.32Å; G755-R758 WeakPolarHBondContact O-CB 3.31Å; G755-R758 PolarHBondContact O-N 3.42Å |
| 756 | K | 38.2 | Very low | 39.6 | Very low | 137 Ų | 137 | 101.8 Ų | 101.8 | 60% | 0.596 | 55% | 0.55 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66 | -6.8 | 177.3 | -82.3 | 158.1 | -172.1 | 153.9 | 0 | 114.3 | E752 Y754 R758 | E752-K756 WeakPolarHBondContact O-CD 3.49Å; E752-K756 VanDerWaalsContact O-CG 3.24Å; E752-K756 WeakPolarHBondContact O-CG 3.42Å; E752-K756 PolarHBondContact O-N 3.46Å; E752-K756 IonicContact OE2-NZ 2.84Å; Y754-K756 VanDerWaalsContact C-N 3.35Å; Y754-K756 PolarHBondContact O-N 3.38Å; K756-R758 VanDerWaalsContact C-N 3.3Å |
| 757 | S | 33.6 | Very low | 38.4 | Very low | 98 Ų | 98 | 108.5 Ų | 108.5 | 69% | 0.685 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.5 | -8.3 | 165.5 | 61.5 | 0 | 0 | 0 | 0 | 114.3 | Y754 G755 N759 | Y754-S757 PolarHBondContact O-OG 3.12Å; G755-S757 PolarHBondContact O-N 3Å; G755-S757 VanDerWaalsContact O-N 3.08Å; S757-N759 PolarHBondContact O-N 3.35Å |
| 758 | R | 28.8 | Very low | 37.2 | Very low | 159 Ų | 159 | 110.5 Ų | 110.5 | 60% | 0.6 | 59% | 0.594 | S | S | * | * | trans | -100.2 | 37.2 | -172.1 | -147.8 | 179.5 | -162.8 | 160.3 | 12.9 | 114.9 | N720 G755 K756 C760 | N720-R758 PolarHBondContact OD1-NH2 3.38Å; G755-R758 VanDerWaalsContact O-CB 3.32Å; G755-R758 WeakPolarHBondContact O-CB 3.31Å; G755-R758 PolarHBondContact O-N 3.42Å; K756-R758 VanDerWaalsContact C-N 3.3Å; R758-C760 VanDerWaalsContact C-N 3.25Å; R758-C760 PolarHBondContact O-N 3.06Å | ||
| 759 | N | 26.7 | Very low | 35.9 | Very low | 152 Ų | 152 | 113.3 Ų | 113.3 | 81% | 0.813 | 61% | 0.608 | S | S | * | * | trans | -75.3 | 68.3 | 175.2 | -94.4 | -13.2 | 0 | 0 | 0 | 112.9 | S757 | S757-N759 PolarHBondContact O-N 3.35Š| ||
| 760 | C | 27.7 | Very low | 34.5 | Very low | 128 Ų | 128 | 118.2 Ų | 118.2 | 87% | 0.865 | 62% | 0.624 | S | S | * | * | trans | -163 | 63.1 | 157.9 | -103.5 | 0 | 0 | 0 | 0 | 111.2 | R758 | R758-C760 VanDerWaalsContact C-N 3.25Å; R758-C760 PolarHBondContact O-N 3.06Å | ||
| 761 | L | 22.4 | Very low | 32.9 | Very low | 154 Ų | 154 | 124.9 Ų | 124.9 | 81% | 0.806 | 66% | 0.655 | S | S | * | * | trans | -127.8 | 88.6 | 168.4 | -109.9 | 171 | 0 | 0 | 0 | 109.5 | ||||
| 762 | S | 24.9 | Very low | 31.5 | Very low | 100 Ų | 100 | 128.2 Ų | 128.2 | 70% | 0.699 | 68% | 0.676 | S | S | * | * | trans | -158.4 | 139.6 | 165.5 | 69.6 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 763 | T | 28.3 | Very low | 30.2 | Very low | 126 Ų | 126 | 132 Ų | 132 | 77% | 0.773 | 70% | 0.699 | S | S | * | * | trans | 68.8 | 139.3 | 171.7 | 72.5 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 764 | R | 24.2 | Very low | 28.9 | Very low | 213 Ų | 213 | 134.4 Ų | 134.4 | 80% | 0.804 | 71% | 0.71 | S | S | * | * | cis | -168.4 | 149.8 | -30 | -124.8 | 177.3 | -172.5 | 171.9 | 1.4 | 108.9 | ||||
| 765 | N | 25.9 | Very low | 27.9 | Very low | 151 Ų | 151 | 139.7 Ų | 139.7 | 81% | 0.807 | 74% | 0.739 | S | S | * | * | trans | 68.2 | 146.6 | 158.3 | -50.3 | -11.4 | 0 | 0 | 0 | 119 | ||||
| 766 | G | 25.6 | Very low | 26.7 | Very low | 66 Ų | 66 | 146 Ų | 146 | 68% | 0.68 | 76% | 0.761 | S | S | * | * | trans | 90.2 | 117 | 145.2 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 767 | E | 25.7 | Very low | 25.9 | Very low | 174 Ų | 174 | 144.7 Ų | 144.7 | 81% | 0.813 | 77% | 0.769 | S | S | * | * | S | Bend | trans | 38.1 | 107.5 | 140.9 | -65.1 | 160.1 | -146.7 | 0 | 0 | 117.1 | ||
| 768 | N | 25.5 | Very low | 25.3 | Very low | 114 Ų | 114 | 146.2 Ų | 146.2 | 61% | 0.61 | 77% | 0.769 | S | S | * | * | cis | -154.7 | 83.6 | 48.2 | -77.5 | -72.2 | 0 | 0 | 0 | 112.7 | Q770 | N768-Q770 PolarHBondContact O-N 2.73Š| ||
| 769 | I | 25.7 | Very low | 25.2 | Very low | 169 Ų | 169 | 146.3 Ų | 146.3 | 87% | 0.867 | 78% | 0.782 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.3 | 54.2 | 175.5 | -47.7 | -178.4 | 0 | 0 | 0 | 110.3 | ||
| 770 | Q | 27.1 | Very low | 25.1 | Very low | 162 Ų | 162 | 145.5 Ų | 145.5 | 76% | 0.757 | 78% | 0.777 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126.2 | -1.8 | 177 | -156 | 171.7 | 9.8 | 0 | 0 | 112.3 | N768 | N768-Q770 PolarHBondContact O-N 2.73Š|
| 771 | Q | 27.8 | Very low | 24.9 | Very low | 158 Ų | 158 | 146.4 Ų | 146.4 | 74% | 0.738 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -95.6 | 0.5 | 177.3 | -68.4 | -179 | -32.5 | 0 | 0 | 114.1 | ||
| 772 | L | 24.5 | Very low | 25.1 | Very low | 150 Ų | 150 | 148.2 Ų | 148.2 | 79% | 0.785 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -103.5 | 5.8 | -173 | -112.7 | 165.1 | 0 | 0 | 0 | 114.9 | ||
| 773 | L | 25.8 | Very low | 24.9 | Very low | 179 Ų | 179 | 149.5 Ų | 149.5 | 94% | 0.937 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -133.2 | 24.9 | 177.1 | -88.8 | 169.1 | 0 | 0 | 0 | 113 | ||
| 774 | Q | 24.1 | Very low | 24.7 | Very low | 150 Ų | 150 | 149.2 Ų | 149.2 | 70% | 0.701 | 76% | 0.761 | S | S | * | * | trans | -140.1 | 40.2 | 177.9 | -156.1 | 176.6 | -2.1 | 0 | 0 | 112.7 | ||||
| 775 | I | 27 | Very low | 24.6 | Very low | 154 Ų | 154 | 145.2 Ų | 145.2 | 79% | 0.79 | 75% | 0.754 | S | S | * | * | trans | -121.4 | 48.9 | 169.9 | -47.6 | 174.3 | 0 | 0 | 0 | 109.7 | ||||
| 776 | M | 22.1 | Very low | 24.7 | Very low | 172 Ų | 172 | 143.9 Ų | 143.9 | 85% | 0.847 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -132.6 | 132 | 162.9 | -72.9 | -174.7 | 70.6 | 0 | 0 | 107.9 | ||
| 777 | S | 21.5 | Very low | 24.6 | Very low | 110 Ų | 110 | 144.2 Ų | 144.2 | 77% | 0.769 | 73% | 0.734 | S | S | * | * | S | Bend | trans | 71.1 | 127.5 | -174.2 | 73 | 0 | 0 | 0 | 0 | 117.8 | ||
| 778 | N | 21.2 | Very low | 24.5 | Very low | 130 Ų | 130 | 140.5 Ų | 140.5 | 70% | 0.695 | 73% | 0.728 | S | S | * | * | trans | 66.5 | 78.9 | 148.5 | -57.6 | 0.5 | 0 | 0 | 0 | 120.7 | ||||
| 779 | D | 26.2 | Very low | 24.4 | Very low | 161 Ų | 161 | 140 Ų | 140 | 86% | 0.861 | 73% | 0.733 | S | S | * | * | -158.9 | 108.5 | 129.3 | -87.9 | -26.2 | 0 | 0 | 0 | 104.1 | |||||
| 780 | L | 23.8 | Very low | 24.4 | Very low | 134 Ų | 134 | 137.6 Ų | 137.6 | 70% | 0.702 | 72% | 0.718 | S | S | * | * | cis | 61.1 | 127.7 | 21 | -90.8 | 169.1 | 0 | 0 | 0 | 114.6 | ||||
| 781 | E | 22.7 | Very low | 24.4 | Very low | 148 Ų | 148 | 134 Ų | 134 | 69% | 0.692 | 70% | 0.704 | S | S | * | * | trans | 66.4 | 37.3 | 173.5 | -48.1 | -148.8 | 145.1 | 0 | 0 | 118.5 | F783 | E781-F783 HydrophobicContact CB-CD2 4.01Å; E781-F783 HydrophobicContact CG-CD2 3.84Å; E781-F783 HydrophobicContact CG-CE2 4.31Å; E781-F783 PolarHBondContact O-N 3Å; E781-F783 WeakPolarHBondContact OE1-CE2 3.43Å | ||
| 782 | L | 27.7 | Very low | 24.3 | Very low | 191 Ų | 191 | 132.7 Ų | 132.7 | 100% | 1 | 70% | 0.701 | S | S | * | * | trans | -71.7 | 70.5 | 143.1 | -114.5 | 171 | 0 | 0 | 0 | 109.3 | ||||
| 783 | F | 21.5 | Very low | 24.2 | Very low | 128 Ų | 128 | 130.6 Ų | 130.6 | 56% | 0.561 | 70% | 0.695 | S | S | * | * | trans | -90.8 | 154.3 | -171.2 | -127.4 | -69.2 | 0 | 0 | 0 | 112 | E781 | E781-F783 HydrophobicContact CB-CD2 4.01Å; E781-F783 HydrophobicContact CG-CD2 3.84Å; E781-F783 HydrophobicContact CG-CE2 4.31Å; E781-F783 PolarHBondContact O-N 3Å; E781-F783 WeakPolarHBondContact OE1-CE2 3.43Å | ||
| 784 | H | 22.4 | Very low | 24 | Very low | 120 Ų | 120 | 126.2 Ų | 126.2 | 56% | 0.556 | 67% | 0.666 | S | S | * | * | trans | 56.4 | 111.9 | 164.1 | -65.6 | -55.4 | 0 | 0 | 0 | 118.8 | T873 | H784-T873 WeakPolarHBondContact CE1-CG2 3.36Š| ||
| 785 | I | 22.3 | Very low | 24.1 | Very low | 129 Ų | 129 | 123.3 Ų | 123.3 | 66% | 0.662 | 66% | 0.66 | S | S | * | * | -178.3 | 140.6 | 112.8 | -92.8 | 153.8 | 0 | 0 | 0 | 108.6 | |||||
| 786 | V | 28.2 | Very low | 23.9 | Very low | 122 Ų | 122 | 123.7 Ų | 123.7 | 74% | 0.739 | 66% | 0.662 | S | S | * | * | trans | 58.8 | 109.3 | -170.5 | -140.7 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 787 | H | 23.5 | Very low | 24 | Very low | 73 Ų | 73 | 121 Ų | 121 | 34% | 0.338 | 65% | 0.645 | S | S | . | * | 74.9 | 128.8 | 51.2 | -146.4 | -115.5 | 0 | 0 | 0 | 115.2 | L876 | H787-L876 HydrophobicContact CB-CD1 4.16Å; H787-L876 HydrophobicContact CB-CD2 4.21Å; H787-L876 PolarHBondContact NE2-O 2.83Å | |||
| 788 | S | 23.9 | Very low | 24 | Very low | 97 Ų | 97 | 124 Ų | 124 | 68% | 0.678 | 65% | 0.649 | S | S | * | * | trans | 70.3 | 157.2 | 173.8 | 81.1 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 789 | S | 24.4 | Very low | 24.2 | Very low | 104 Ų | 104 | 124.7 Ų | 124.7 | 73% | 0.727 | 65% | 0.647 | S | S | * | * | trans | 75 | 121.9 | 171.9 | 70.7 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 790 | Q | 25.3 | Very low | 24.1 | Very low | 117 Ų | 117 | 122.6 Ų | 122.6 | 55% | 0.547 | 63% | 0.632 | S | S | . | * | trans | 9.3 | 124.3 | 142.7 | -52.9 | 170.1 | -60.3 | 0 | 0 | 116.2 | ||||
| 791 | L | 25.9 | Very low | 24 | Very low | 88 Ų | 88 | 125.9 Ų | 125.9 | 46% | 0.461 | 64% | 0.644 | S | S | . | * | -155.8 | 161.1 | 62.1 | -127.1 | 102.5 | 0 | 0 | 0 | 114.5 | H1468 Y1477 | L791-H1468 WeakPolarHBondContact CD1-CE1 3.39Å; L791-H1468 WeakPolarHBondContact CD1-NE2 3.45Å; L791-H1468 WeakPolarHBondContact CD2-CE1 3.49Å; L791-Y1477 HydrophobicContact CD1-CE1 3.85Å; L791-Y1477 HydrophobicContact CD2-CD1 3.59Å; L791-Y1477 HydrophobicContact CD2-CD2 4.24Å; L791-Y1477 HydrophobicContact CD2-CE1 3.51Å; L791-Y1477 HydrophobicContact CD2-CE2 4.2Å; L791-Y1477 HydrophobicContact CD2-CG 3.96Å; L791-Y1477 HydrophobicContact CG-CD1 4.25Å; L791-Y1477 HydrophobicContact CG-CE1 3.68Å; L791-Y1477 HydrophobicContact CG-CE2 4Å | |||
| 792 | L | 25.5 | Very low | 24 | Very low | 129 Ų | 129 | 126.2 Ų | 126.2 | 68% | 0.675 | 65% | 0.649 | S | S | * | * | trans | -147.1 | 152.6 | -174.6 | -110.7 | 173.6 | 0 | 0 | 0 | 117.2 | ||||
| 793 | V | 23.8 | Very low | 23.8 | Very low | 107 Ų | 107 | 121.1 Ų | 121.1 | 65% | 0.648 | 63% | 0.629 | S | S | * | * | trans | -60.9 | 132.3 | 160.9 | 166.2 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 794 | Y | 21.3 | Very low | 23.8 | Very low | 87 Ų | 87 | 124.1 Ų | 124.1 | 34% | 0.341 | 64% | 0.643 | S | S | . | * | S | Bend | trans | -71.4 | 139.7 | 152.6 | -107.6 | -119.2 | 0 | 0 | 0 | 108.5 | N1476 Q1480 | Y794-N1476 HydrophobicContact CD1-CB 4.13Å; Y794-N1476 HydrophobicContact CD2-CB 3.83Å; Y794-N1476 HydrophobicContact CE2-CB 4.48Å; Y794-N1476 WeakPolarHBondContact CE2-O 3.16Å; Y794-N1476 HydrophobicContact CG-CB 3.62Å; Y794-Q1480 HydrophobicContact CE2-CB 4Å; Y794-Q1480 HydrophobicContact CE2-CG 4.24Å |
| 795 | P | 26.1 | Very low | 23.8 | Very low | 88 Ų | 88 | 124.1 Ų | 124.1 | 57% | 0.571 | 65% | 0.647 | S | S | * | * | cis | -140.3 | 123 | 19.5 | 35.8 | -14.7 | 0 | 0 | 0 | 116.1 | ||||
| 796 | I | 21.9 | Very low | 23.7 | Very low | 163 Ų | 163 | 126 Ų | 126 | 84% | 0.836 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -137.5 | 107.8 | 152.6 | -80.6 | -176.5 | 0 | 0 | 0 | 103.5 | ||
| 797 | K | 24.4 | Very low | 23.4 | Very low | 114 Ų | 114 | 123.7 Ų | 123.7 | 50% | 0.496 | 64% | 0.644 | S | S | . | * | cis | -153.1 | 160.7 | 6.9 | -73.4 | 157.3 | 110.7 | -142.2 | 0 | 107.3 | F799 E800 | K797-F799 HydrophobicContact CB-CB 3.83Å; K797-F799 WeakPolarHBondContact CB-O 3.21Å; K797-F799 HydrophobicContact CD-CB 4Å; K797-F799 WeakPolarHBondContact CD-O 3.14Å; K797-F799 WeakPolarHBondContact CE-O 3.02Å; K797-F799 HydrophobicContact CG-CB 3.91Å; K797-F799 PolarHBondContact NZ-O 3.3Å; K797-E800 IonicContact NZ-OE1 2.74Å; K797-E800 PolarHBondContact NZ-OE1 3.27Å; K797-E800 IonicContact NZ-OE2 3.99Å; K797-E800 PolarHBondContact NZ-OE2 3.36Å | ||
| 798 | M | 22.9 | Very low | 23.5 | Very low | 173 Ų | 173 | 125.3 Ų | 125.3 | 85% | 0.852 | 66% | 0.659 | S | S | * | * | S | Bend | cis | 71.3 | 13.6 | 3 | -151.7 | 165.9 | 176.6 | 0 | 0 | 118.7 | ||
| 799 | F | 23.7 | Very low | 23.5 | Very low | 145 Ų | 145 | 127.6 Ų | 127.6 | 64% | 0.636 | 66% | 0.661 | S | S | * | * | trans | 167 | 109.8 | -171 | -90.4 | -74.8 | 0 | 0 | 0 | 104.6 | K797 | K797-F799 HydrophobicContact CB-CB 3.83Å; K797-F799 WeakPolarHBondContact CB-O 3.21Å; K797-F799 HydrophobicContact CD-CB 4Å; K797-F799 WeakPolarHBondContact CD-O 3.14Å; K797-F799 WeakPolarHBondContact CE-O 3.02Å; K797-F799 HydrophobicContact CG-CB 3.91Å; K797-F799 PolarHBondContact NZ-O 3.3Å | ||
| 800 | E | 25.1 | Very low | 23.5 | Very low | 118 Ų | 118 | 130.7 Ų | 130.7 | 55% | 0.551 | 66% | 0.662 | S | S | * | * | S | Bend | cis | -151.8 | 93.5 | 20.4 | -66.6 | 95.6 | -168.9 | 0 | 0 | 110.5 | K797 | K797-E800 IonicContact NZ-OE1 2.74Å; K797-E800 PolarHBondContact NZ-OE1 3.27Å; K797-E800 IonicContact NZ-OE2 3.99Å; K797-E800 PolarHBondContact NZ-OE2 3.36Å |
| 801 | E | 22.1 | Very low | 23.4 | Very low | 203 Ų | 203 | 131.3 Ų | 131.3 | 95% | 0.949 | 67% | 0.669 | S | S | * | * | S | Bend | -125.6 | 95.7 | 115.2 | -67.6 | -169.6 | 176.3 | 0 | 0 | 102.8 | |||
| 802 | L | 23.2 | Very low | 23.3 | Very low | 155 Ų | 155 | 132.7 Ų | 132.7 | 81% | 0.812 | 68% | 0.681 | S | S | * | * | S | Bend | cis | -113.6 | 162.1 | 47 | -69.4 | 158.8 | 0 | 0 | 0 | 116 | ||
| 803 | S | 21.8 | Very low | 23.2 | Very low | 83 Ų | 83 | 134.6 Ų | 134.6 | 58% | 0.58 | 69% | 0.688 | S | S | * | * | trans | -98 | 179.5 | 170.6 | 51.9 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 804 | F | 22.3 | Very low | 23.1 | Very low | 192 Ų | 192 | 138 Ų | 138 | 84% | 0.842 | 70% | 0.697 | S | S | * | * | trans | 75.6 | 142.3 | -178.1 | -56.5 | -87 | 0 | 0 | 0 | 115.8 | ||||
| 805 | N | 21.6 | Very low | 23.2 | Very low | 120 Ų | 120 | 137.2 Ų | 137.2 | 64% | 0.642 | 72% | 0.715 | S | S | * | * | cis | -135.2 | 143.9 | 6 | -157.8 | -4.2 | 0 | 0 | 0 | 112.7 | S807 | N805-S807 VanDerWaalsContact C-N 3.3Å; N805-S807 PolarHBondContact O-N 3.03Å | ||
| 806 | M | 21.3 | Very low | 23.2 | Very low | 168 Ų | 168 | 139.7 Ų | 139.7 | 83% | 0.828 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.7 | 24.1 | -164.7 | -113.8 | -73.6 | -75.8 | 0 | 0 | 114.7 | ||
| 807 | S | 22.3 | Very low | 23.2 | Very low | 73 Ų | 73 | 142.7 Ų | 142.7 | 51% | 0.51 | 72% | 0.724 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -118 | -6.8 | -160.1 | 59.9 | 0 | 0 | 0 | 0 | 117 | N805 | N805-S807 VanDerWaalsContact C-N 3.3Å; N805-S807 PolarHBondContact O-N 3.03Å |
| 808 | T | 24.4 | Very low | 23.1 | Very low | 107 Ų | 107 | 142.4 Ų | 142.4 | 66% | 0.656 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -115.2 | -34.3 | -170.7 | 49.2 | 0 | 0 | 0 | 0 | 115.4 | F810 | T808-F810 VanDerWaalsContact C-N 3.28Å; T808-F810 PolarHBondContact O-N 2.87Å |
| 809 | M | 23.8 | Very low | 23.2 | Very low | 145 Ų | 145 | 139.5 Ų | 139.5 | 71% | 0.714 | 73% | 0.729 | S | S | * | * | G | 310 helix | trans | -82 | -3.2 | -179.9 | -141.3 | -178.5 | 85.3 | 0 | 0 | 114.4 | N811 | M809-N811 PolarHBondContact O-N 2.94Å; M809-N811 VanDerWaalsContact O-N 3.15Å |
| 810 | F | 23.8 | Very low | 23.2 | Very low | 170 Ų | 170 | 141.6 Ų | 141.6 | 75% | 0.746 | 74% | 0.738 | S | S | * | * | G | 310 helix | trans | -63.9 | -13.2 | 171.7 | -146.2 | -90.7 | 0 | 0 | 0 | 113 | T808 | T808-F810 VanDerWaalsContact C-N 3.28Å; T808-F810 PolarHBondContact O-N 2.87Å |
| 811 | N | 24.6 | Very low | 23.1 | Very low | 130 Ų | 130 | 144.3 Ų | 144.3 | 70% | 0.695 | 75% | 0.748 | S | S | * | * | G | 310 helix | trans | -107.7 | 3 | -172.9 | -70 | -17.8 | 0 | 0 | 0 | 115.4 | M809 | M809-N811 PolarHBondContact O-N 2.94Å; M809-N811 VanDerWaalsContact O-N 3.15Å |
| 812 | V | 24 | Very low | 23.1 | Very low | 117 Ų | 117 | 138.7 Ų | 138.7 | 71% | 0.709 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.8 | -23.2 | 179.6 | -174.1 | 0 | 0 | 0 | 0 | 112.9 | Q814 | V812-Q814 PolarHBondContact O-N 3.06Š|
| 813 | M | 22.4 | Very low | 23 | Very low | 168 Ų | 168 | 138.2 Ų | 138.2 | 83% | 0.828 | 73% | 0.729 | S | S | * | * | trans | -80.2 | 35.5 | 168.5 | -75.3 | -75.8 | -85.9 | 0 | 0 | 113.1 | ||||
| 814 | Q | 22.4 | Very low | 23.2 | Very low | 180 Ų | 180 | 143 Ų | 143 | 84% | 0.841 | 74% | 0.744 | S | S | * | * | trans | -106.1 | 88.8 | 157.7 | -81.5 | -164.3 | -2.8 | 0 | 0 | 108.6 | V812 | V812-Q814 PolarHBondContact O-N 3.06Š| ||
| 815 | G | 24.2 | Very low | 23.2 | Very low | 70 Ų | 70 | 140.6 Ų | 140.6 | 72% | 0.722 | 74% | 0.74 | S | S | * | * | trans | -171.5 | 73.7 | -173 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 816 | N | 26.1 | Very low | 23.2 | Very low | 140 Ų | 140 | 144 Ų | 144 | 75% | 0.749 | 75% | 0.75 | S | S | * | * | trans | -1.1 | 121.2 | 160.3 | -69.2 | -41.4 | 0 | 0 | 0 | 118.4 | ||||
| 817 | R | 20.8 | Very low | 23.4 | Very low | 225 Ų | 225 | 144.5 Ų | 144.5 | 85% | 0.849 | 75% | 0.75 | S | S | * | * | 80.2 | 158.7 | 73.1 | -78.8 | -178.5 | 170.4 | -172.3 | -2.3 | 114.8 | |||||
| 818 | S | 22.6 | Very low | 23.6 | Very low | 108 Ų | 108 | 148.5 Ų | 148.5 | 76% | 0.755 | 76% | 0.76 | S | S | * | * | trans | 72.2 | 143.5 | 171.3 | 19.4 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 819 | T | 25.5 | Very low | 23.7 | Very low | 113 Ų | 113 | 151.4 Ų | 151.4 | 69% | 0.693 | 77% | 0.77 | S | S | * | * | cis | -163.1 | 136.1 | 0.7 | 19.4 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 820 | F | 22.3 | Very low | 23.7 | Very low | 189 Ų | 189 | 153.8 Ų | 153.8 | 83% | 0.829 | 78% | 0.777 | S | S | * | * | trans | 34.2 | 158.3 | 137.4 | -62.7 | -88.4 | 0 | 0 | 0 | 122.1 | ||||
| 821 | K | 23.7 | Very low | 23.7 | Very low | 175 Ų | 175 | 149.8 Ų | 149.8 | 76% | 0.761 | 77% | 0.769 | S | S | * | * | cis | -168.8 | 146 | 19.7 | -138.1 | 169.4 | -178.4 | -177 | 0 | 114.8 | ||||
| 822 | S | 21 | Very low | 23.8 | Very low | 84 Ų | 84 | 150.8 Ų | 150.8 | 59% | 0.587 | 77% | 0.773 | S | S | * | * | trans | 48.2 | 135.5 | 135.5 | 65.9 | 0 | 0 | 0 | 0 | 127.2 | ||||
| 823 | D | 21.8 | Very low | 23.7 | Very low | 146 Ų | 146 | 153.8 Ų | 153.8 | 78% | 0.781 | 78% | 0.784 | S | S | * | * | trans | 89.4 | 152.2 | 135.3 | -62 | -19.6 | 0 | 0 | 0 | 124.3 | ||||
| 824 | M | 26.2 | Very low | 23.8 | Very low | 182 Ų | 182 | 151.1 Ų | 151.1 | 90% | 0.897 | 77% | 0.771 | S | S | * | * | trans | 66.3 | 105.3 | -176.6 | -58.8 | -75.5 | -139.7 | 0 | 0 | 115.1 | ||||
| 825 | L | 21.5 | Very low | 24 | Very low | 143 Ų | 143 | 150.5 Ų | 150.5 | 75% | 0.749 | 77% | 0.766 | S | S | * | * | cis | 73.9 | 129.7 | 16.8 | -83.7 | 170.4 | 0 | 0 | 0 | 118.7 | ||||
| 826 | F | 23 | Very low | 24.1 | Very low | 192 Ų | 192 | 153 Ų | 153 | 84% | 0.842 | 76% | 0.758 | S | S | * | * | trans | 61.3 | 105.6 | 160 | -87.4 | -140.8 | 0 | 0 | 0 | 119.4 | ||||
| 827 | Q | 25.3 | Very low | 23.9 | Very low | 177 Ų | 177 | 149.4 Ų | 149.4 | 83% | 0.827 | 74% | 0.744 | S | S | * | * | -169.4 | -41.8 | 122.2 | -109.1 | 175.1 | 28.1 | 0 | 0 | 117.1 | K830 | Q827-K830 WeakPolarHBondContact O-CB 3.4Š| |||
| 828 | Q | 25.8 | Very low | 24.1 | Very low | 157 Ų | 157 | 142.1 Ų | 142.1 | 73% | 0.734 | 73% | 0.725 | S | S | * | * | G | 310 helix | trans | -78.8 | -26.4 | -154.2 | -78.1 | -177.7 | -36.6 | 0 | 0 | 118.1 | K830 S831 | Q828-K830 PolarHBondContact O-N 2.86Å; Q828-K830 VanDerWaalsContact O-N 3.13Å; Q828-S831 PolarHBondContact O-OG 3.45Å |
| 829 | I | 26.6 | Very low | 24.3 | Very low | 169 Ų | 169 | 144.3 Ų | 144.3 | 87% | 0.867 | 72% | 0.723 | S | S | * | * | G | 310 helix | trans | -72.2 | -4.9 | 179.8 | -62.6 | 177.6 | 0 | 0 | 0 | 112.7 | S831 | I829-S831 PolarHBondContact O-N 3.04Å; I829-S831 VanDerWaalsContact O-N 3.11Å |
| 830 | K | 23.3 | Very low | 24.1 | Very low | 195 Ų | 195 | 143.5 Ų | 143.5 | 85% | 0.848 | 72% | 0.715 | S | S | * | * | G | 310 helix | trans | -76 | 10.4 | -178.3 | -154.1 | -175.7 | 173.5 | -178.9 | 0 | 115.3 | Q827 Q828 | Q827-K830 WeakPolarHBondContact O-CB 3.4Å; Q828-K830 PolarHBondContact O-N 2.86Å; Q828-K830 VanDerWaalsContact O-N 3.13Å |
| 831 | S | 25.3 | Very low | 24.2 | Very low | 85 Ų | 85 | 142.7 Ų | 142.7 | 59% | 0.594 | 71% | 0.711 | S | S | * | * | G | 310 helix | trans | -120.6 | -18.3 | -157.1 | 56.4 | 0 | 0 | 0 | 0 | 118 | Q828 I829 | Q828-S831 PolarHBondContact O-OG 3.45Å; I829-S831 PolarHBondContact O-N 3.04Å; I829-S831 VanDerWaalsContact O-N 3.11Å |
| 832 | I | 26.2 | Very low | 24.4 | Very low | 152 Ų | 152 | 143 Ų | 143 | 78% | 0.779 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -115 | -21.8 | -167.7 | -66.7 | 179.1 | 0 | 0 | 0 | 115 | ||
| 833 | L | 21.8 | Very low | 24.5 | Very low | 179 Ų | 179 | 149.2 Ų | 149.2 | 94% | 0.937 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -104.5 | 57 | 175.8 | -76.4 | 170.6 | 0 | 0 | 0 | 112.5 | ||
| 834 | M | 24.4 | Very low | 24.6 | Very low | 112 Ų | 112 | 150.2 Ų | 150.2 | 55% | 0.552 | 73% | 0.726 | S | S | * | * | trans | -140.7 | 58.8 | -179.6 | -116.8 | -67 | -167.8 | 0 | 0 | 112.3 | M861 T862 | M834-M861 HydrophobicContact SD-CE 3.82Å; M834-T862 HydrophobicContact CE-CG2 4.47Å | ||
| 835 | K | 27.1 | Very low | 24.4 | Very low | 168 Ų | 168 | 148.4 Ų | 148.4 | 73% | 0.73 | 72% | 0.724 | S | S | * | * | trans | -163.5 | 136.5 | 149.4 | -110.7 | 167.2 | -175.3 | 179.4 | 0 | 112.8 | M861 | K835-M861 VanDerWaalsContact CA-SD 3.59Å; K835-M861 HydrophobicContact CB-SD 4.32Å; K835-M861 HydrophobicContact CG-CE 4.06Å; K835-M861 HydrophobicContact CG-CG 4.26Å; K835-M861 HydrophobicContact CG-SD 3.79Å | ||
| 836 | Q | 25.7 | Very low | 24.6 | Very low | 121 Ų | 121 | 144.6 Ų | 144.6 | 57% | 0.565 | 72% | 0.72 | S | S | * | * | trans | -121.2 | 167.6 | -177.4 | -62.3 | 171.6 | -73.6 | 0 | 0 | 111.8 | N860 | Q836-N860 WeakPolarHBondContact O-CA 3.47Š| ||
| 837 | S | 22.3 | Very low | 24.7 | Very low | 65 Ų | 65 | 142.9 Ų | 142.9 | 46% | 0.455 | 72% | 0.718 | S | S | . | * | trans | 60.7 | 173.2 | 154.5 | 51.5 | 0 | 0 | 0 | 0 | 115.4 | G859 N860 M861 | S837-G859 VanDerWaalsContact C-C 3.42Å; S837-G859 CarbonylContact O-C 3.29Å; S837-G859 VanDerWaalsContact O-C 3.3Å; S837-G859 WeakPolarHBondContact O-CA 3.33Å; S837-G859 PolarHBondContact O-N 3.35Å; S837-N860 VanDerWaalsContact OG-CA 3.27Å; S837-N860 WeakPolarHBondContact OG-CA 3.3Å; S837-N860 PolarHBondContact OG-N 2.76Å; S837-N860 PolarHBondContact OG-O 2.74Å; S837-M861 PolarHBondContact OG-N 3.21Å | ||
| 838 | T | 25.7 | Very low | 24.7 | Very low | 73 Ų | 73 | 141.6 Ų | 141.6 | 45% | 0.448 | 71% | 0.714 | S | S | . | * | cis | -148 | -171.2 | -13.8 | 3.5 | 0 | 0 | 0 | 0 | 105.4 | G859 N860 | T838-G859 WeakPolarHBondContact CB-O 3.3Å; T838-G859 VanDerWaalsContact N-C 3.27Å; T838-G859 PolarHBondContact N-O 2.73Å; T838-G859 PolarHBondContact OG1-O 2.75Å; T838-N860 PolarHBondContact OG1-N 3.37Å | ||
| 839 | E | 25 | Very low | 24.7 | Very low | 153 Ų | 153 | 140 Ų | 140 | 72% | 0.715 | 72% | 0.715 | S | S | * | * | -166.8 | 161.8 | -67.2 | -165.1 | -175.1 | -111.2 | 0 | 0 | 107.6 | |||||
| 840 | N | 23 | Very low | 25.1 | Very low | 96 Ų | 96 | 137.5 Ų | 137.5 | 51% | 0.513 | 71% | 0.707 | S | S | . | * | trans | 70.9 | 104.6 | 165.1 | -62.1 | -58.9 | 0 | 0 | 0 | 122.1 | ||||
| 841 | K | 24.7 | Very low | 25.3 | Very low | 173 Ų | 173 | 135.4 Ų | 135.4 | 75% | 0.752 | 71% | 0.706 | S | S | * | * | 45.8 | 108.7 | 112.2 | -59.1 | 164.8 | -172.2 | 138.8 | 0 | 120.3 | |||||
| 842 | E | 27.6 | Very low | 25.2 | Very low | 182 Ų | 182 | 138.6 Ų | 138.6 | 85% | 0.85 | 71% | 0.713 | S | S | * | * | -129 | 133 | 119.7 | -68.2 | -157.2 | 121.4 | 0 | 0 | 106.8 | |||||
| 843 | R | 22.9 | Very low | 25 | Very low | 213 Ų | 213 | 137.1 Ų | 137.1 | 80% | 0.804 | 71% | 0.707 | S | S | * | * | 65.7 | 138.1 | 56.6 | -68.5 | -174.5 | 165.1 | 169.8 | -3.9 | 112.8 | |||||
| 844 | H | 22.5 | Very low | 25.1 | Very low | 168 Ų | 168 | 134.8 Ų | 134.8 | 78% | 0.778 | 70% | 0.695 | S | S | * | * | cis | -176.4 | 145.4 | -23.3 | -121 | -40.5 | 0 | 0 | 0 | 106.3 | ||||
| 845 | V | 23.8 | Very low | 25.1 | Very low | 144 Ų | 144 | 136 Ų | 136 | 87% | 0.873 | 70% | 0.702 | S | S | * | * | trans | 68.1 | 135.2 | 173.6 | -169.3 | 0 | 0 | 0 | 0 | 115 | ||||
| 846 | G | 24.6 | Very low | 24.8 | Very low | 63 Ų | 63 | 135.4 Ų | 135.4 | 65% | 0.649 | 70% | 0.702 | S | S | * | * | cis | 168.6 | 169.6 | -10.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 847 | L | 25.4 | Very low | 24.7 | Very low | 155 Ų | 155 | 136.7 Ų | 136.7 | 81% | 0.812 | 71% | 0.713 | S | S | * | * | trans | 70.2 | 116 | 166.7 | -67.9 | 163.3 | 0 | 0 | 0 | 119.8 | ||||
| 848 | M | 24.5 | Very low | 24.8 | Very low | 150 Ų | 150 | 136.5 Ų | 136.5 | 74% | 0.739 | 72% | 0.721 | S | S | * | * | S | Bend | trans | 63.8 | 117.7 | 143.7 | -57.7 | -58.3 | -179.9 | 0 | 0 | 118.5 | ||
| 849 | V | 27.4 | Very low | 24.7 | Very low | 125 Ų | 125 | 134.1 Ų | 134.1 | 76% | 0.758 | 71% | 0.712 | S | S | * | * | S | Bend | cis | -149.9 | 122.6 | 2.1 | -177.2 | 0 | 0 | 0 | 0 | 109.7 | ||
| 850 | T | 34.3 | Very low | 24.7 | Very low | 115 Ų | 115 | 131.8 Ų | 131.8 | 71% | 0.706 | 70% | 0.704 | S | S | * | * | cis | -141.5 | 93.4 | -37.8 | 43.3 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 851 | N | 27.5 | Very low | 24.6 | Very low | 151 Ų | 151 | 130.1 Ų | 130.1 | 81% | 0.807 | 69% | 0.694 | S | S | * | * | trans | -69.8 | 155.9 | -171.6 | -71.3 | -19.3 | 0 | 0 | 0 | 114 | ||||
| 852 | M | 22.7 | Very low | 24.6 | Very low | 152 Ų | 152 | 125.7 Ų | 125.7 | 75% | 0.749 | 68% | 0.681 | S | S | * | * | cis | 93.9 | 109.1 | 29.5 | -71.8 | -81.4 | -82.5 | 0 | 0 | 116.7 | ||||
| 853 | N | 23 | Very low | 24.3 | Very low | 121 Ų | 121 | 124.1 Ų | 124.1 | 65% | 0.647 | 67% | 0.674 | S | S | * | * | trans | 73.9 | 117.9 | 145.9 | -61.7 | -5.9 | 0 | 0 | 0 | 125.1 | ||||
| 854 | N | 23.6 | Very low | 24.4 | Very low | 131 Ų | 131 | 120.6 Ų | 120.6 | 70% | 0.701 | 67% | 0.67 | S | S | * | * | 83.2 | 126 | 120.8 | -69.5 | 6.8 | 0 | 0 | 0 | 126.9 | |||||
| 855 | I | 23 | Very low | 24.5 | Very low | 136 Ų | 136 | 118.8 Ų | 118.8 | 70% | 0.697 | 67% | 0.666 | S | S | * | * | 88.1 | 113.1 | 125.4 | -67.9 | 171.1 | 0 | 0 | 0 | 123.7 | |||||
| 856 | E | 22.2 | Very low | 24.5 | Very low | 156 Ų | 156 | 121 Ų | 121 | 73% | 0.729 | 66% | 0.664 | S | S | * | * | trans | 46.1 | 150.1 | 134.4 | -51.4 | -176.7 | 175.7 | 0 | 0 | 129.2 | ||||
| 857 | N | 24.1 | Very low | 24.5 | Very low | 148 Ų | 148 | 122.9 Ų | 122.9 | 79% | 0.791 | 67% | 0.667 | S | S | * | * | trans | 96.7 | 120.8 | 138.3 | -71 | -41.9 | 0 | 0 | 0 | 125 | ||||
| 858 | G | 23.7 | Very low | 24.6 | Very low | 61 Ų | 61 | 121.5 Ų | 121.5 | 63% | 0.629 | 66% | 0.66 | S | S | * | * | 139.1 | 97.7 | 108.2 | 0 | 0 | 0 | 0 | 0 | 124.1 | |||||
| 859 | G | 24 | Very low | 24.6 | Very low | 24 Ų | 24 | 122.1 Ų | 122.1 | 25% | 0.247 | 67% | 0.665 | C | S | . | * | trans | 71.1 | 163.2 | 148.7 | 0 | 0 | 0 | 0 | 0 | 118.6 | S837 T838 | S837-G859 VanDerWaalsContact C-C 3.42Å; S837-G859 CarbonylContact O-C 3.29Å; S837-G859 VanDerWaalsContact O-C 3.3Å; S837-G859 WeakPolarHBondContact O-CA 3.33Å; S837-G859 PolarHBondContact O-N 3.35Å; T838-G859 WeakPolarHBondContact CB-O 3.3Å; T838-G859 VanDerWaalsContact N-C 3.27Å; T838-G859 PolarHBondContact N-O 2.73Å; T838-G859 PolarHBondContact OG1-O 2.75Å | ||
| 860 | N | 23.2 | Very low | 24.6 | Very low | 103 Ų | 103 | 120.5 Ų | 120.5 | 55% | 0.551 | 67% | 0.665 | S | S | * | * | cis | -169.3 | 164 | -1.7 | -73.9 | -74.1 | 0 | 0 | 0 | 107.7 | Q836 S837 T838 | Q836-N860 WeakPolarHBondContact O-CA 3.47Å; S837-N860 VanDerWaalsContact OG-CA 3.27Å; S837-N860 WeakPolarHBondContact OG-CA 3.3Å; S837-N860 PolarHBondContact OG-N 2.76Å; S837-N860 PolarHBondContact OG-O 2.74Å; T838-N860 PolarHBondContact OG1-N 3.37Å | ||
| 861 | M | 22.4 | Very low | 24.2 | Very low | 62 Ų | 62 | 122.7 Ų | 122.7 | 31% | 0.305 | 67% | 0.665 | S | S | . | * | cis | -178.7 | 159.2 | -11 | -98.7 | -82.5 | -86.5 | 0 | 0 | 112.2 | M834 K835 S837 | M834-M861 HydrophobicContact SD-CE 3.82Å; K835-M861 VanDerWaalsContact CA-SD 3.59Å; K835-M861 HydrophobicContact CB-SD 4.32Å; K835-M861 HydrophobicContact CG-CE 4.06Å; K835-M861 HydrophobicContact CG-CG 4.26Å; K835-M861 HydrophobicContact CG-SD 3.79Å; S837-M861 PolarHBondContact OG-N 3.21Å | ||
| 862 | T | 23.1 | Very low | 24.1 | Very low | 79 Ų | 79 | 121.8 Ų | 121.8 | 49% | 0.485 | 66% | 0.659 | S | S | . | * | trans | 69.8 | 152.5 | 150.9 | 47.2 | 0 | 0 | 0 | 0 | 120.8 | M834 | M834-T862 HydrophobicContact CE-CG2 4.47Š| ||
| 863 | E | 22.4 | Very low | 24.2 | Very low | 150 Ų | 150 | 118.4 Ų | 118.4 | 70% | 0.701 | 65% | 0.647 | S | S | * | * | cis | -159.9 | 175.5 | 3.6 | -136.2 | 166.9 | -153.6 | 0 | 0 | 115.5 | ||||
| 864 | I | 25 | Very low | 24.3 | Very low | 139 Ų | 139 | 119 Ų | 119 | 71% | 0.713 | 65% | 0.649 | S | S | * | * | trans | 96.2 | 117.3 | 152.6 | -72.1 | 160.6 | 0 | 0 | 0 | 123.5 | ||||
| 865 | D | 24.8 | Very low | 24.4 | Very low | 129 Ų | 129 | 118.5 Ų | 118.5 | 69% | 0.69 | 65% | 0.646 | S | S | * | * | trans | 65.2 | 113 | 144.3 | -65.6 | 3.9 | 0 | 0 | 0 | 129.5 | ||||
| 866 | F | 22.7 | Very low | 24.5 | Very low | 191 Ų | 191 | 115.4 Ų | 115.4 | 84% | 0.838 | 63% | 0.631 | S | S | * | * | 30.5 | 127.2 | 124.4 | -70.2 | -88 | 0 | 0 | 0 | 122.7 | |||||
| 867 | S | 24.5 | Very low | 24.6 | Very low | 102 Ų | 102 | 117 Ų | 117 | 71% | 0.713 | 64% | 0.638 | S | S | * | * | trans | 177.4 | -25.1 | 133.4 | 39.5 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 868 | N | 27.6 | Very low | 24.7 | Very low | 126 Ų | 126 | 115.2 Ų | 115.2 | 67% | 0.674 | 63% | 0.633 | S | S | * | * | trans | -105.1 | 13.3 | -152.1 | -94.6 | -44.8 | 0 | 0 | 0 | 120 | ||||
| 869 | I | 25.6 | Very low | 24.8 | Very low | 163 Ų | 163 | 117.7 Ų | 117.7 | 84% | 0.836 | 63% | 0.63 | S | S | * | * | S | Bend | trans | -82.1 | -14.4 | -179.4 | -68.8 | 176.8 | 0 | 0 | 0 | 113.4 | K871 | I869-K871 PolarHBondContact O-N 3.31Š|
| 870 | A | 26.9 | Very low | 24.8 | Very low | 91 Ų | 91 | 123.7 Ų | 123.7 | 75% | 0.752 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.2 | 27.7 | -176.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||
| 871 | K | 27 | Very low | 24.7 | Very low | 162 Ų | 162 | 126.2 Ų | 126.2 | 70% | 0.704 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -135.5 | -3.3 | -171.8 | -87.1 | -177.5 | 176.8 | 173.4 | 0 | 117.7 | I869 | I869-K871 PolarHBondContact O-N 3.31Š|
| 872 | L | 25.6 | Very low | 25.2 | Very low | 131 Ų | 131 | 128 Ų | 128 | 69% | 0.686 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -92.8 | -6.9 | -179.8 | -89.5 | 162.3 | 0 | 0 | 0 | 114.9 | ||
| 873 | T | 23.5 | Very low | 25.2 | Very low | 82 Ų | 82 | 129.2 Ų | 129.2 | 50% | 0.503 | 70% | 0.697 | S | S | . | * | S | Bend | trans | -100.8 | 10.4 | -170.8 | -16.7 | 0 | 0 | 0 | 0 | 115.3 | H784 | H784-T873 WeakPolarHBondContact CE1-CG2 3.36Š|
| 874 | I | 26.2 | Very low | 25.3 | Very low | 133 Ų | 133 | 130.9 Ų | 130.9 | 68% | 0.682 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -122.5 | -26.3 | -173.6 | -70.2 | 176.5 | 0 | 0 | 0 | 113.9 | L876 | I874-L876 PolarHBondContact O-N 3.27Å; I874-L876 VanDerWaalsContact O-N 3.08Å |
| 875 | N | 25.5 | Very low | 25.4 | Very low | 121 Ų | 121 | 129.3 Ų | 129.3 | 65% | 0.647 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.9 | 25.6 | -176.3 | -76.5 | -23.4 | 0 | 0 | 0 | 114.5 | ||
| 876 | L | 23.7 | Very low | 25.3 | Very low | 71 Ų | 71 | 128.4 Ų | 128.4 | 37% | 0.372 | 70% | 0.696 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -119.5 | 0.8 | -170.7 | -69.2 | -178.5 | 0 | 0 | 0 | 114.5 | H787 I874 | H787-L876 HydrophobicContact CB-CD1 4.16Å; H787-L876 HydrophobicContact CB-CD2 4.21Å; H787-L876 PolarHBondContact NE2-O 2.83Å; I874-L876 PolarHBondContact O-N 3.27Å; I874-L876 VanDerWaalsContact O-N 3.08Å |
| 877 | E | 24.6 | Very low | 25.4 | Very low | 190 Ų | 190 | 126.9 Ų | 126.9 | 89% | 0.888 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -95.2 | -1.2 | 170 | -67.2 | -170.5 | 118.2 | 0 | 0 | 113.5 | ||
| 878 | T | 26.4 | Very low | 25.5 | Very low | 109 Ų | 109 | 134.1 Ų | 134.1 | 67% | 0.669 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -100.8 | 15.1 | -171.3 | 54.1 | 0 | 0 | 0 | 0 | 115.7 | ||
| 879 | I | 25.6 | Very low | 25.5 | Very low | 114 Ų | 114 | 138.1 Ų | 138.1 | 59% | 0.585 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -108.5 | -14.3 | -175.1 | -66.2 | 178.4 | 0 | 0 | 0 | 113.2 | ||
| 880 | L | 23.9 | Very low | 25.7 | Very low | 150 Ų | 150 | 137.1 Ų | 137.1 | 79% | 0.785 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -132.2 | 48.1 | -171 | -70.3 | 175.6 | 0 | 0 | 0 | 115.6 | ||
| 881 | N | 22.4 | Very low | 25.7 | Very low | 155 Ų | 155 | 143 Ų | 143 | 83% | 0.829 | 71% | 0.707 | S | S | * | * | trans | -164.2 | 166 | 154.3 | -118.9 | -29.8 | 0 | 0 | 0 | 112.4 | ||||
| 882 | P | 32.4 | Very low | 25.6 | Very low | 99 Ų | 99 | 142.9 Ų | 142.9 | 64% | 0.643 | 71% | 0.714 | S | S | * | * | -127.4 | 178.8 | -103.4 | 43 | -30 | 0 | 0 | 0 | 114.5 | |||||
| 883 | S | 23.9 | Very low | 25.7 | Very low | 105 Ų | 105 | 141.1 Ų | 141.1 | 73% | 0.734 | 71% | 0.71 | S | S | * | * | trans | 68.2 | 140.9 | 161.9 | 76.4 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 884 | K | 23.1 | Very low | 25.9 | Very low | 186 Ų | 186 | 142.7 Ų | 142.7 | 81% | 0.809 | 72% | 0.72 | S | S | * | * | trans | 72.2 | 91.5 | 180 | -53.5 | -177.8 | -178.1 | -179.1 | 0 | 116.5 | D886 | K884-D886 PolarHBondContact O-N 3Š| ||
| 885 | P | 26.8 | Very low | 25.9 | Very low | 105 Ų | 105 | 143.9 Ų | 143.9 | 68% | 0.682 | 73% | 0.726 | S | S | * | * | trans | -91.2 | 73.7 | 175.6 | 35.7 | -30.5 | 0 | 0 | 0 | 112.3 | R931 | P885-R931 PolarHBondContact O-NH2 2.97Š| ||
| 886 | D | 23 | Very low | 26 | Very low | 110 Ų | 110 | 144.8 Ų | 144.8 | 59% | 0.588 | 73% | 0.73 | S | S | * | * | trans | -142.4 | 59.3 | 176.5 | -66.8 | -51.2 | 0 | 0 | 0 | 112.1 | K884 R931 | K884-D886 PolarHBondContact O-N 3Å; D886-R931 IonicContact OD1-CZ 2.87Å; D886-R931 IonicContact OD1-NH1 2.74Å; D886-R931 PolarHBondContact OD1-NH1 3.2Å; D886-R931 IonicContact OD1-NH2 3.84Å; D886-R931 PolarHBondContact OD1-NH2 3.25Å; D886-R931 VanDerWaalsContact OD1-NH2 3.12Å; D886-R931 IonicContact OD2-NH1 3.16Å | ||
| 887 | K | 26 | Very low | 26.1 | Very low | 160 Ų | 160 | 149 Ų | 149 | 70% | 0.696 | 75% | 0.753 | S | S | * | * | trans | -161.5 | 18.3 | 173.1 | -123.6 | 160.7 | -170.6 | 176.1 | 0 | 120 | F889 Q890 | K887-F889 PolarHBondContact O-N 3.2Å; K887-Q890 VanDerWaalsContact CE-OE1 3.31Å | ||
| 888 | W | 26.5 | Very low | 26.1 | Very low | 254 Ų | 254 | 145.1 Ų | 145.1 | 96% | 0.962 | 75% | 0.746 | S | S | * | * | G | 310 helix | trans | -64 | -32.3 | -175.5 | -112.2 | 17.8 | 0 | 0 | 0 | 114.8 | Q890 | W888-Q890 VanDerWaalsContact C-N 3.29Å; W888-Q890 PolarHBondContact O-N 3.41Å |
| 889 | F | 27.8 | Very low | 26.2 | Very low | 210 Ų | 210 | 149.7 Ų | 149.7 | 92% | 0.921 | 76% | 0.757 | S | S | * | * | G | 310 helix | trans | -73.4 | -4.3 | -175.7 | -95.4 | -84.1 | 0 | 0 | 0 | 116.6 | K887 | K887-F889 PolarHBondContact O-N 3.2Š|
| 890 | Q | 29.5 | Very low | 26.4 | Very low | 142 Ų | 142 | 150 Ų | 150 | 66% | 0.664 | 76% | 0.759 | S | S | * | * | G | 310 helix | trans | -103.7 | 12.1 | -174.9 | -74.1 | -171 | -24.1 | 0 | 0 | 115.7 | K887 W888 | K887-Q890 VanDerWaalsContact CE-OE1 3.31Å; W888-Q890 VanDerWaalsContact C-N 3.29Å; W888-Q890 PolarHBondContact O-N 3.41Å |
| 891 | R | 26.7 | Very low | 26.4 | Very low | 213 Ų | 213 | 152.1 Ų | 152.1 | 80% | 0.804 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -117.1 | 4.6 | 178.4 | -84.2 | -172.7 | 170.6 | -177.9 | -3.1 | 116.6 | ||
| 892 | L | 25 | Very low | 26.7 | Very low | 160 Ų | 160 | 148.3 Ų | 148.3 | 84% | 0.838 | 76% | 0.762 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.3 | -9.6 | 175.8 | -137.2 | 79.1 | 0 | 0 | 0 | 118.1 | ||
| 893 | P | 27.4 | Very low | 26.6 | Very low | 95 Ų | 95 | 148.3 Ų | 148.3 | 62% | 0.617 | 76% | 0.764 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.7 | 21.3 | -173.9 | 39.6 | -36.1 | 0 | 0 | 0 | 116 | ||
| 894 | T | 27.3 | Very low | 26.9 | Very low | 114 Ų | 114 | 146.3 Ų | 146.3 | 70% | 0.699 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -129.6 | 17.8 | -175 | 60.7 | 0 | 0 | 0 | 0 | 116 | ||
| 895 | I | 26.8 | Very low | 27.4 | Very low | 158 Ų | 158 | 143.6 Ų | 143.6 | 81% | 0.81 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -124.7 | -6 | 176.7 | -65.3 | -178.8 | 0 | 0 | 0 | 112.7 | ||
| 896 | L | 26.7 | Very low | 27.9 | Very low | 141 Ų | 141 | 145.2 Ų | 145.2 | 74% | 0.738 | 74% | 0.74 | S | S | * | * | trans | -99.6 | 6.4 | -178.4 | -79.5 | 167.3 | 0 | 0 | 0 | 115.5 | S898 | L896-S898 PolarHBondContact O-N 3.16Š| ||
| 897 | D | 25.8 | Very low | 28.5 | Very low | 160 Ų | 160 | 143.4 Ų | 143.4 | 86% | 0.856 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -90.7 | 63.3 | 174.5 | -97.3 | -35.8 | 0 | 0 | 0 | 112.6 | ||
| 898 | S | 26 | Very low | 29 | Very low | 107 Ų | 107 | 141.7 Ų | 141.7 | 75% | 0.748 | 73% | 0.728 | S | S | * | * | S | Bend | trans | 177.1 | 141 | 140.2 | 40 | 0 | 0 | 0 | 0 | 111.2 | L896 | L896-S898 PolarHBondContact O-N 3.16Š|
| 899 | K | 27.6 | Very low | 29.8 | Very low | 205 Ų | 205 | 132 Ų | 132 | 89% | 0.891 | 70% | 0.699 | S | S | * | * | S | Bend | trans | 59.8 | 72.5 | 177.7 | -58.6 | -175.9 | 178.8 | -178 | 0 | 116.3 | ||
| 900 | I | 29.4 | Very low | 30.4 | Very low | 121 Ų | 121 | 125 Ų | 125 | 62% | 0.621 | 67% | 0.671 | S | S | * | * | -139.7 | 121 | 117.3 | -87.3 | 146.9 | 0 | 0 | 0 | 106.4 | T904 | I900-T904 WeakPolarHBondContact CG2-OG1 3.42Š| |||
| 901 | Q | 25.5 | Very low | 30.9 | Very low | 194 Ų | 194 | 119.9 Ų | 119.9 | 91% | 0.907 | 65% | 0.648 | S | S | * | * | trans | -109 | 145.2 | 166 | -80.5 | -177.2 | -39 | 0 | 0 | 108.4 | ||||
| 902 | G | 28.5 | Very low | 31.7 | Very low | 75 Ų | 75 | 116.2 Ų | 116.2 | 77% | 0.773 | 64% | 0.638 | S | S | * | * | S | Bend | trans | 102.2 | 21.5 | 155.2 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||
| 903 | S | 30.2 | Very low | 32.5 | Very low | 99 Ų | 99 | 114.5 Ų | 114.5 | 69% | 0.692 | 63% | 0.625 | S | S | * | * | S | Bend | trans | -171.3 | -47.2 | 155.5 | 50.1 | 0 | 0 | 0 | 0 | 114.9 | L905 | S903-L905 VanDerWaalsContact C-N 3.33Å; S903-L905 PolarHBondContact O-N 3.4Å |
| 904 | T | 30.1 | Very low | 33 | Very low | 64 Ų | 64 | 112 Ų | 112 | 39% | 0.393 | 61% | 0.608 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -73.2 | -13.5 | -164.5 | 47.1 | 0 | 0 | 0 | 0 | 116.4 | I900 H906 F908 | I900-T904 WeakPolarHBondContact CG2-OG1 3.42Å; T904-H906 VanDerWaalsContact C-N 3.32Å; T904-H906 PolarHBondContact O-N 3.46Å; T904-F908 PolarHBondContact O-N 3.48Å |
| 905 | L | 32.4 | Very low | 33.5 | Very low | 129 Ų | 129 | 109.2 Ų | 109.2 | 68% | 0.675 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -63.8 | -30.5 | -174.6 | -86.2 | 164.5 | 0 | 0 | 0 | 114.2 | S903 S909 | S903-L905 VanDerWaalsContact C-N 3.33Å; S903-L905 PolarHBondContact O-N 3.4Å; L905-S909 WeakPolarHBondContact O-CB 3.39Å; L905-S909 PolarHBondContact O-N 2.91Å |
| 906 | H | 37.1 | Very low | 34.1 | Very low | 138 Ų | 138 | 105.7 Ų | 105.7 | 64% | 0.639 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -70.3 | -48.1 | -178.2 | -154.9 | 49.9 | 0 | 0 | 0 | 111.3 | T904 F908 S909 L910 | T904-H906 VanDerWaalsContact C-N 3.32Å; T904-H906 PolarHBondContact O-N 3.46Å; H906-F908 VanDerWaalsContact C-N 3.35Å; H906-F908 PolarHBondContact O-N 2.89Å; H906-S909 PolarHBondContact O-N 3.08Å; H906-S909 VanDerWaalsContact O-N 3.11Å; H906-S909 PolarHBondContact O-OG 2.7Å; H906-L910 PolarHBondContact O-N 2.72Å |
| 907 | C | 35.8 | Very low | 34.5 | Very low | 72 Ų | 72 | 101.7 Ų | 101.7 | 49% | 0.486 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -60.5 | -41.4 | 175.9 | -58.4 | 0 | 0 | 0 | 0 | 112.1 | L910 L911 | C907-L910 PolarHBondContact O-N 2.98Å; C907-L911 WeakPolarHBondContact O-CB 3.31Å; C907-L911 PolarHBondContact O-N 3.38Å |
| 908 | F | 37.2 | Very low | 34.8 | Very low | 124 Ų | 124 | 97.4 Ų | 97.4 | 54% | 0.544 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -67.5 | -32.3 | 174.7 | -92.6 | -79.4 | 0 | 0 | 0 | 113.3 | T904 H906 K912 | T904-F908 PolarHBondContact O-N 3.48Å; H906-F908 VanDerWaalsContact C-N 3.35Å; H906-F908 PolarHBondContact O-N 2.89Å; F908-K912 WeakPolarHBondContact O-CB 3.38Å; F908-K912 PolarHBondContact O-N 3.38Å |
| 909 | S | 43.4 | Very low | 35.2 | Very low | 51 Ų | 51 | 98.3 Ų | 98.3 | 36% | 0.357 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -68.1 | -41.2 | 174 | 75.1 | 0 | 0 | 0 | 0 | 112.2 | L905 H906 K912 Q913 | L905-S909 WeakPolarHBondContact O-CB 3.39Å; L905-S909 PolarHBondContact O-N 2.91Å; H906-S909 PolarHBondContact O-N 3.08Å; H906-S909 VanDerWaalsContact O-N 3.11Å; H906-S909 PolarHBondContact O-OG 2.7Å; S909-K912 PolarHBondContact O-N 3.06Å; S909-Q913 WeakPolarHBondContact O-CG 3.42Å; S909-Q913 PolarHBondContact O-N 3.24Å |
| 910 | L | 40.4 | Very low | 35.2 | Very low | 63 Ų | 63 | 96.1 Ų | 96.1 | 33% | 0.33 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -66.5 | -47.8 | 174.7 | -94 | 160.2 | 0 | 0 | 0 | 111.7 | H906 C907 K912 Q913 V914 | H906-L910 PolarHBondContact O-N 2.72Å; C907-L910 PolarHBondContact O-N 2.98Å; L910-K912 VanDerWaalsContact C-N 3.27Å; L910-K912 PolarHBondContact O-N 3.28Å; L910-Q913 PolarHBondContact O-N 2.9Å; L910-Q913 VanDerWaalsContact O-N 3.12Å; L910-V914 WeakPolarHBondContact O-CG2 3.12Å; L910-V914 PolarHBondContact O-N 3.02Å |
| 911 | L | 40.4 | Very low | 35.1 | Very low | 35 Ų | 35 | 92.1 Ų | 92.1 | 18% | 0.183 | 51% | 0.508 | C | S | . | . | H | α-helix | trans | -60.5 | -36.6 | 174.9 | -83.1 | 162.2 | 0 | 0 | 0 | 112 | C907 T915 V959 I962 | C907-L911 WeakPolarHBondContact O-CB 3.31Å; C907-L911 PolarHBondContact O-N 3.38Å; L911-T915 WeakPolarHBondContact O-CB 3.35Å; L911-T915 WeakPolarHBondContact O-CG2 3.25Å; L911-T915 PolarHBondContact O-N 3.01Å; L911-T915 PolarHBondContact O-OG1 3.32Å; L911-V959 HydrophobicContact CD2-CG2 4.23Å; L911-I962 HydrophobicContact CD1-CG2 3.79Å |
| 912 | K | 42.1 | Very low | 35.2 | Very low | 136 Ų | 136 | 88.9 Ų | 88.9 | 59% | 0.591 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -69.8 | -33 | 174.9 | -169.7 | 172.3 | -175.6 | 176.6 | 0 | 112.7 | F908 S909 L910 T915 N916 | F908-K912 WeakPolarHBondContact O-CB 3.38Å; F908-K912 PolarHBondContact O-N 3.38Å; S909-K912 PolarHBondContact O-N 3.06Å; L910-K912 VanDerWaalsContact C-N 3.27Å; L910-K912 PolarHBondContact O-N 3.28Å; K912-T915 WeakPolarHBondContact CA-OG1 3.11Å; K912-T915 PolarHBondContact O-OG1 3.25Å; K912-N916 WeakPolarHBondContact O-CB 3.44Å; K912-N916 PolarHBondContact O-N 3.03Å; K912-N916 PolarHBondContact O-ND2 3.21Å |
| 913 | Q | 41.8 | Very low | 35 | Very low | 123 Ų | 123 | 92.6 Ų | 92.6 | 58% | 0.575 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -71.5 | -45.5 | 171.7 | -76 | 180 | -14.6 | 0 | 0 | 111.9 | S909 L910 N916 S917 | S909-Q913 WeakPolarHBondContact O-CG 3.42Å; S909-Q913 PolarHBondContact O-N 3.24Å; L910-Q913 PolarHBondContact O-N 2.9Å; L910-Q913 VanDerWaalsContact O-N 3.12Å; Q913-N916 PolarHBondContact O-N 2.99Å; Q913-S917 PolarHBondContact O-N 3.02Å; Q913-S917 PolarHBondContact O-OG 3.39Å |
| 914 | V | 39.6 | Very low | 34.8 | Very low | 43 Ų | 43 | 95.1 Ų | 95.1 | 26% | 0.261 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.9 | -50.4 | 177.3 | 171.3 | 0 | 0 | 0 | 0 | 110.9 | L910 N916 S917 F918 | L910-V914 WeakPolarHBondContact O-CG2 3.12Å; L910-V914 PolarHBondContact O-N 3.02Å; V914-N916 VanDerWaalsContact C-N 3.35Å; V914-N916 PolarHBondContact O-N 2.77Å; V914-S917 WeakPolarHBondContact CA-OG 3.49Å; V914-S917 PolarHBondContact O-N 3.26Å; V914-S917 VanDerWaalsContact O-N 3.09Å; V914-S917 PolarHBondContact O-OG 3.41Å; V914-F918 HydrophobicContact CG1-CD2 3.81Å; V914-F918 HydrophobicContact CG1-CE2 3.72Å; V914-F918 WeakPolarHBondContact O-CD2 3.34Å; V914-F918 PolarHBondContact O-N 3.05Å |
| 915 | T | 37.2 | Very low | 34.5 | Very low | 55 Ų | 55 | 99.7 Ų | 99.7 | 34% | 0.337 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65.1 | -34.4 | 176.6 | 52.3 | 0 | 0 | 0 | 0 | 112.9 | L911 K912 S917 F918 N919 | L911-T915 WeakPolarHBondContact O-CB 3.35Å; L911-T915 WeakPolarHBondContact O-CG2 3.25Å; L911-T915 PolarHBondContact O-N 3.01Å; L911-T915 PolarHBondContact O-OG1 3.32Å; K912-T915 WeakPolarHBondContact CA-OG1 3.11Å; K912-T915 PolarHBondContact O-OG1 3.25Å; T915-S917 VanDerWaalsContact C-N 3.35Å; T915-F918 PolarHBondContact O-N 2.88Å; T915-N919 VanDerWaalsContact O-CB 3.3Å; T915-N919 WeakPolarHBondContact O-CB 3.36Å; T915-N919 PolarHBondContact O-N 3.43Å; T915-N919 PolarHBondContact O-ND2 3.47Å; T915-N919 VanDerWaalsContact O-ND2 3.15Å |
| 916 | N | 38.6 | Very low | 34.2 | Very low | 85 Ų | 85 | 99.7 Ų | 99.7 | 46% | 0.455 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -67.4 | -32.4 | 170.8 | -78.1 | -10.7 | 0 | 0 | 0 | 112.9 | K912 Q913 V914 L920 | K912-N916 WeakPolarHBondContact O-CB 3.44Å; K912-N916 PolarHBondContact O-N 3.03Å; K912-N916 PolarHBondContact O-ND2 3.21Å; Q913-N916 PolarHBondContact O-N 2.99Å; V914-N916 VanDerWaalsContact C-N 3.35Å; V914-N916 PolarHBondContact O-N 2.77Å; N916-L920 WeakPolarHBondContact O-CG 3.38Å; N916-L920 PolarHBondContact O-N 2.81Å |
| 917 | S | 34.6 | Very low | 33.5 | Very low | 56 Ų | 56 | 98.5 Ų | 98.5 | 39% | 0.392 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -70.1 | -41 | 173 | 63 | 0 | 0 | 0 | 0 | 112.4 | Q913 V914 T915 N919 L920 | Q913-S917 PolarHBondContact O-N 3.02Å; Q913-S917 PolarHBondContact O-OG 3.39Å; V914-S917 WeakPolarHBondContact CA-OG 3.49Å; V914-S917 PolarHBondContact O-N 3.26Å; V914-S917 VanDerWaalsContact O-N 3.09Å; V914-S917 PolarHBondContact O-OG 3.41Å; T915-S917 VanDerWaalsContact C-N 3.35Å; S917-N919 PolarHBondContact O-N 3.25Å; S917-L920 PolarHBondContact O-N 3.09Å |
| 918 | F | 33.5 | Very low | 32.9 | Very low | 71 Ų | 71 | 101.8 Ų | 101.8 | 31% | 0.311 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -62.9 | -40.4 | 171.4 | -81.9 | -70.7 | 0 | 0 | 0 | 112 | V914 T915 L920 S921 L955 I1012 | V914-F918 HydrophobicContact CG1-CD2 3.81Å; V914-F918 HydrophobicContact CG1-CE2 3.72Å; V914-F918 WeakPolarHBondContact O-CD2 3.34Å; V914-F918 PolarHBondContact O-N 3.05Å; T915-F918 PolarHBondContact O-N 2.88Å; F918-L920 PolarHBondContact O-N 3.28Å; F918-S921 PolarHBondContact O-N 2.81Å; F918-S921 PolarHBondContact O-OG 3.19Å; F918-L955 HydrophobicContact CZ-CD2 4.48Å; F918-I1012 HydrophobicContact CE1-CD1 3.87Å; F918-I1012 HydrophobicContact CE1-CG1 4.18Å; F918-I1012 HydrophobicContact CE2-CD1 4.25Å; F918-I1012 HydrophobicContact CZ-CD1 3.65Å; F918-I1012 HydrophobicContact CZ-CG1 4.24Å |
| 919 | N | 33.2 | Very low | 32.2 | Very low | 126 Ų | 126 | 100 Ų | 100 | 67% | 0.674 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.4 | -6.7 | 176 | -73.4 | -30.7 | 0 | 0 | 0 | 114.7 | T915 S917 | T915-N919 VanDerWaalsContact O-CB 3.3Å; T915-N919 WeakPolarHBondContact O-CB 3.36Å; T915-N919 PolarHBondContact O-N 3.43Å; T915-N919 PolarHBondContact O-ND2 3.47Å; T915-N919 VanDerWaalsContact O-ND2 3.15Å; S917-N919 PolarHBondContact O-N 3.25Å |
| 920 | L | 28.2 | Very low | 31.2 | Very low | 159 Ų | 159 | 101.7 Ų | 101.7 | 83% | 0.832 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.5 | 0.3 | 170.2 | -76.2 | 166.5 | 0 | 0 | 0 | 112.7 | N916 S917 F918 | N916-L920 WeakPolarHBondContact O-CG 3.38Å; N916-L920 PolarHBondContact O-N 2.81Å; S917-L920 PolarHBondContact O-N 3.09Å; F918-L920 PolarHBondContact O-N 3.28Å |
| 921 | S | 28.4 | Very low | 30.5 | Very low | 37 Ų | 37 | 105.9 Ų | 105.9 | 26% | 0.259 | 57% | 0.568 | S | S | . | * | S | Bend | trans | -113.2 | 138.4 | 166.1 | 60.8 | 0 | 0 | 0 | 0 | 109.9 | F918 F923 | F918-S921 PolarHBondContact O-N 2.81Å; F918-S921 PolarHBondContact O-OG 3.19Å; S921-F923 VanDerWaalsContact C-N 3.35Å; S921-F923 PolarHBondContact O-N 3.25Å |
| 922 | N | 25.8 | Very low | 29.7 | Very low | 126 Ų | 126 | 108 Ų | 108 | 67% | 0.674 | 60% | 0.598 | S | S | * | * | trans | -73.4 | 79.8 | -174.1 | -79.3 | -10.1 | 0 | 0 | 0 | 112.8 | ||||
| 923 | F | 25.5 | Very low | 28.8 | Very low | 153 Ų | 153 | 110.4 Ų | 110.4 | 67% | 0.671 | 61% | 0.609 | S | S | * | * | trans | -128.8 | 85.1 | 173 | -82.3 | -77.5 | 0 | 0 | 0 | 112.3 | S921 L925 | S921-F923 VanDerWaalsContact C-N 3.35Å; S921-F923 PolarHBondContact O-N 3.25Å; F923-L925 PolarHBondContact O-N 3.38Å | ||
| 924 | N | 26.3 | Very low | 28 | Very low | 152 Ų | 152 | 110.6 Ų | 110.6 | 81% | 0.813 | 61% | 0.614 | S | S | * | * | trans | -77.9 | 101.8 | 169.7 | -78.5 | -41.4 | 0 | 0 | 0 | 110.6 | I926 | N924-I926 PolarHBondContact O-N 3.18Š| ||
| 925 | L | 23.4 | Very low | 27.1 | Very low | 159 Ų | 159 | 118.2 Ų | 118.2 | 83% | 0.832 | 64% | 0.64 | S | S | * | * | trans | -76.8 | 91.9 | 165.7 | -79.7 | 165 | 0 | 0 | 0 | 110 | F923 | F923-L925 PolarHBondContact O-N 3.38Š| ||
| 926 | I | 25 | Very low | 26.5 | Very low | 130 Ų | 130 | 120.3 Ų | 120.3 | 67% | 0.667 | 65% | 0.645 | S | S | * | * | trans | -136.1 | 144.3 | 175.9 | -58.7 | -179.1 | 0 | 0 | 0 | 109.8 | N924 | N924-I926 PolarHBondContact O-N 3.18Š| ||
| 927 | D | 22.6 | Very low | 25.8 | Very low | 113 Ų | 113 | 121.7 Ų | 121.7 | 60% | 0.604 | 66% | 0.657 | S | S | * | * | trans | -15.2 | 124.9 | -176.5 | -73.7 | -61.4 | 0 | 0 | 0 | 119.4 | A929 | D927-A929 PolarHBondContact O-N 3.16Š| ||
| 928 | P | 24.1 | Very low | 25.3 | Very low | 140 Ų | 140 | 123.8 Ų | 123.8 | 91% | 0.909 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.3 | 27.4 | 169.8 | 35.8 | -37.2 | 0 | 0 | 0 | 113.2 | ||
| 929 | A | 22.8 | Very low | 24.9 | Very low | 86 Ų | 86 | 127.4 Ų | 127.4 | 71% | 0.711 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -145.6 | 7.1 | -165.5 | 0 | 0 | 0 | 0 | 0 | 116.9 | D927 | D927-A929 PolarHBondContact O-N 3.16Š|
| 930 | S | 22.3 | Very low | 24.7 | Very low | 88 Ų | 88 | 123.9 Ų | 123.9 | 62% | 0.615 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -162.1 | 162.6 | 160.4 | 67.9 | 0 | 0 | 0 | 0 | 113.8 | ||
| 931 | R | 25 | Very low | 24.9 | Very low | 151 Ų | 151 | 121.1 Ų | 121.1 | 57% | 0.57 | 66% | 0.658 | S | S | * | * | trans | 80.1 | 90.3 | -178.7 | -50.5 | -177.1 | -171.7 | -164 | 6.6 | 116.4 | P885 D886 F933 | P885-R931 PolarHBondContact O-NH2 2.97Å; D886-R931 IonicContact OD1-CZ 2.87Å; D886-R931 IonicContact OD1-NH1 2.74Å; D886-R931 PolarHBondContact OD1-NH1 3.2Å; D886-R931 IonicContact OD1-NH2 3.84Å; D886-R931 PolarHBondContact OD1-NH2 3.25Å; D886-R931 VanDerWaalsContact OD1-NH2 3.12Å; D886-R931 IonicContact OD2-NH1 3.16Å; R931-F933 PolarHBondContact O-N 2.92Å | ||
| 932 | G | 23 | Very low | 25.3 | Very low | 78 Ų | 78 | 124.4 Ų | 124.4 | 80% | 0.804 | 67% | 0.673 | S | S | * | * | trans | -76.7 | 91.7 | 153.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 933 | F | 23.5 | Very low | 26.2 | Very low | 188 Ų | 188 | 121.6 Ų | 121.6 | 83% | 0.825 | 66% | 0.655 | S | S | * | * | trans | -148 | 129.8 | 168.9 | -101.2 | -73.3 | 0 | 0 | 0 | 111.8 | R931 Y935 | R931-F933 PolarHBondContact O-N 2.92Å; F933-Y935 PolarHBondContact O-N 2.93Å | ||
| 934 | N | 24.9 | Very low | 27.3 | Very low | 127 Ų | 127 | 117.4 Ų | 117.4 | 68% | 0.679 | 64% | 0.639 | S | S | * | * | trans | -66.8 | 128.2 | -173.4 | -51.6 | -3.3 | 0 | 0 | 0 | 112.5 | K2045 | N934-K2045 WeakPolarHBondContact O-CE 3.19Å; N934-K2045 PolarHBondContact O-NZ 2.97Å | ||
| 935 | Y | 22.1 | Very low | 28.7 | Very low | 203 Ų | 203 | 112.7 Ų | 112.7 | 80% | 0.796 | 61% | 0.614 | S | S | * | * | trans | -131.7 | 148.4 | 155.9 | -92.6 | -79.7 | 0 | 0 | 0 | 110.2 | F933 | F933-Y935 PolarHBondContact O-N 2.93Š| ||
| 936 | E | 23.1 | Very low | 30.2 | Very low | 98 Ų | 98 | 105.1 Ų | 105.1 | 46% | 0.458 | 57% | 0.574 | S | S | . | * | trans | -82.2 | 143.1 | -171.3 | -61 | 170 | 124.3 | 0 | 0 | 112 | K2045 L2046 | E936-K2045 VanDerWaalsContact CD-CG 3.48Å; E936-K2045 HydrophobicContact CG-CB 4.32Å; E936-K2045 HydrophobicContact CG-CD 3.84Å; E936-K2045 HydrophobicContact CG-CG 3.88Å; E936-K2045 WeakPolarHBondContact OE1-CA 3.38Å; E936-K2045 VanDerWaalsContact OE1-CB 3.32Å; E936-K2045 WeakPolarHBondContact OE1-CB 3.4Å; E936-K2045 WeakPolarHBondContact OE2-CA 3.35Å; E936-K2045 WeakPolarHBondContact OE2-CG 3.28Å; E936-L2046 PolarHBondContact OE1-N 3.33Å | ||
| 937 | V | 24 | Very low | 31.8 | Very low | 115 Ų | 115 | 100.3 Ų | 100.3 | 70% | 0.697 | 55% | 0.551 | S | S | * | * | trans | -133.4 | 144.1 | 167 | -178.6 | 0 | 0 | 0 | 0 | 107 | ||||
| 938 | P | 24 | Very low | 33.5 | Very low | 100 Ų | 100 | 95.4 Ų | 95.4 | 65% | 0.649 | 53% | 0.525 | S | S | * | . | trans | -69.3 | 170.3 | -164.4 | -23 | 36.2 | 0 | 0 | 0 | 116.6 | S940 | P938-S940 VanDerWaalsContact C-N 3.31Å; P938-S940 PolarHBondContact O-N 2.92Å | ||
| 939 | E | 26.2 | Very low | 35.3 | Very low | 146 Ų | 146 | 93 Ų | 93 | 68% | 0.682 | 50% | 0.499 | S | S | * | . | S | Bend | trans | -75 | 59.8 | -171 | -52.6 | -162.2 | 96.7 | 0 | 0 | 115.6 | R2048 | E939-R2048 IonicContact OE1-CZ 3.23Å; E939-R2048 VanDerWaalsContact OE1-CZ 3.24Å; E939-R2048 IonicContact OE1-NH1 2.73Å; E939-R2048 PolarHBondContact OE1-NH1 2.78Å; E939-R2048 IonicContact OE1-NH2 2.81Å; E939-R2048 PolarHBondContact OE1-NH2 3.47Å |
| 940 | S | 28.5 | Very low | 37 | Very low | 53 Ų | 53 | 89.5 Ų | 89.5 | 37% | 0.371 | 47% | 0.469 | S | S | . | . | trans | -143.5 | 116.7 | 172.8 | 53.2 | 0 | 0 | 0 | 0 | 112.2 | P938 D942 | P938-S940 VanDerWaalsContact C-N 3.31Å; P938-S940 PolarHBondContact O-N 2.92Å; S940-D942 PolarHBondContact O-N 3.1Å | ||
| 941 | D | 33.6 | Very low | 38.8 | Very low | 100 Ų | 100 | 86.1 Ų | 86.1 | 54% | 0.535 | 44% | 0.443 | S | S | . | . | trans | -71 | 36 | 179.6 | -80.7 | -63.3 | 0 | 0 | 0 | 113.8 | F943 K2239 | D941-F943 PolarHBondContact O-N 2.84Å; D941-K2239 IonicContact OD1-NZ 2.69Å; D941-K2239 PolarHBondContact OD1-NZ 3.43Å; D941-K2239 IonicContact OD2-NZ 2.67Å; D941-K2239 PolarHBondContact OD2-NZ 3.06Å | ||
| 942 | D | 36 | Very low | 40.5 | Very low | 107 Ų | 107 | 81.7 Ų | 81.7 | 57% | 0.572 | 43% | 0.428 | S | S | * | . | trans | -75.8 | 83.9 | -173.9 | -84 | 5.2 | 0 | 0 | 0 | 111.7 | S940 L944 G1014 | S940-D942 PolarHBondContact O-N 3.1Å; D942-L944 PolarHBondContact O-N 3.46Å; D942-G1014 WeakPolarHBondContact OD2-CA 3.29Å | ||
| 943 | F | 44.1 | Very low | 42.2 | Very low | 67 Ų | 67 | 80.9 Ų | 80.9 | 29% | 0.294 | 40% | 0.404 | S | S | . | . | trans | -59.9 | 104.3 | 167.2 | -129.3 | -93.8 | 0 | 0 | 0 | 109 | D941 D945 H1175 W1179 P2199 | D941-F943 PolarHBondContact O-N 2.84Å; F943-D945 PolarHBondContact O-N 3.41Å; F943-D945 VanDerWaalsContact O-N 3.16Å; F943-H1175 AromaticContact CE1-NE2 3.62Å; F943-W1179 PolarHBondContact O-NE1 2.76Å; F943-P2199 HydrophobicContact CE1-CG 4.33Å; F943-P2199 HydrophobicContact CZ-CG 4.28Å | ||
| 944 | L | 48 | Very low | 43.9 | Very low | 65 Ų | 65 | 72.2 Ų | 72.2 | 34% | 0.34 | 37% | 0.366 | S | S | . | . | trans | -41.5 | 121.7 | 176 | -86.4 | 160.2 | 0 | 0 | 0 | 110.4 | D942 | D942-L944 PolarHBondContact O-N 3.46Š| ||
| 945 | D | 55.7 | Low | 45.5 | Very low | 52 Ų | 52 | 68.6 Ų | 68.6 | 28% | 0.278 | 35% | 0.346 | S | S | . | . | trans | -47.5 | 124.5 | 171.5 | 156.2 | 31 | 0 | 0 | 0 | 108.3 | F943 V947 S948 Y949 W1179 | F943-D945 PolarHBondContact O-N 3.41Å; F943-D945 VanDerWaalsContact O-N 3.16Å; D945-V947 PolarHBondContact O-N 3.44Å; D945-V947 VanDerWaalsContact O-N 3.09Å; D945-V947 WeakPolarHBondContact OD1-CB 3.4Å; D945-V947 WeakPolarHBondContact OD1-CG2 3.32Å; D945-V947 PolarHBondContact OD1-N 2.93Å; D945-V947 WeakPolarHBondContact OD2-CB 3.42Å; D945-S948 PolarHBondContact N-OG 3.07Å; D945-S948 CarbonylContact O-C 3.16Å; D945-S948 WeakPolarHBondContact O-CA 3.46Å; D945-S948 WeakPolarHBondContact O-CB 3.44Å; D945-S948 PolarHBondContact O-N 3.31Å; D945-S948 PolarHBondContact O-OG 3.49Å; D945-S948 PolarHBondContact OD2-N 3.25Å; D945-Y949 PolarHBondContact O-N 3.28Å; D945-W1179 HydrophobicContact CB-CH2 4.22Å; D945-W1179 HydrophobicContact CB-CZ2 3.7Å | ||
| 946 | P | 56.2 | Low | 47.1 | Very low | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -63.6 | -19.6 | -175.6 | -18.4 | 29.3 | 0 | 0 | 0 | 112.8 | V950 W1114 F1176 W1179 | P946-V950 WeakPolarHBondContact O-CB 3.04Å; P946-V950 WeakPolarHBondContact O-CG2 3.37Å; P946-V950 PolarHBondContact O-N 2.81Å; P946-W1114 HydrophobicContact CB-CZ3 4.34Å; P946-F1176 HydrophobicContact CB-CD1 3.71Å; P946-F1176 HydrophobicContact CB-CD2 4.23Å; P946-F1176 HydrophobicContact CB-CE1 3.57Å; P946-F1176 HydrophobicContact CB-CE2 4.1Å; P946-F1176 HydrophobicContact CB-CG 4.05Å; P946-F1176 HydrophobicContact CB-CZ 3.77Å; P946-F1176 HydrophobicContact CG-CD1 3.82Å; P946-F1176 HydrophobicContact CG-CE1 4.09Å; P946-F1176 HydrophobicContact CG-CG 4.24Å; P946-W1179 VanDerWaalsContact CD-CD2 3.42Å; P946-W1179 HydrophobicContact CG-CB 3.98Å; P946-W1179 HydrophobicContact CG-CD2 4.2Å; P946-W1179 HydrophobicContact CG-CG 3.88Å |
| 947 | V | 57.8 | Low | 48.6 | Very low | 30 Ų | 30 | 58.9 Ų | 58.9 | 18% | 0.182 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -67.3 | -46 | 166.8 | -167.8 | 0 | 0 | 0 | 0 | 110.7 | D945 V950 K951 Y1118 F1176 | D945-V947 PolarHBondContact O-N 3.44Å; D945-V947 VanDerWaalsContact O-N 3.09Å; D945-V947 WeakPolarHBondContact OD1-CB 3.4Å; D945-V947 WeakPolarHBondContact OD1-CG2 3.32Å; D945-V947 PolarHBondContact OD1-N 2.93Å; D945-V947 WeakPolarHBondContact OD2-CB 3.42Å; V947-V950 PolarHBondContact O-N 2.99Å; V947-K951 HydrophobicContact CG1-CD 4.42Å; V947-K951 WeakPolarHBondContact O-CG 2.91Å; V947-K951 PolarHBondContact O-N 2.73Å; V947-Y1118 HydrophobicContact CG1-CD2 4.43Å; V947-Y1118 HydrophobicContact CG1-CE2 4.06Å; V947-Y1118 HydrophobicContact CG2-CD2 3.83Å; V947-Y1118 HydrophobicContact CG2-CE2 3.76Å; V947-F1176 HydrophobicContact CG2-CE1 3.73Å; V947-F1176 HydrophobicContact CG2-CZ 3.99Å |
| 948 | S | 59.4 | Low | 50.1 | Low | 9 Ų | 9 | 53.8 Ų | 53.8 | 6% | 0.063 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -61.1 | -42.3 | 172.9 | 80.3 | 0 | 0 | 0 | 0 | 112.8 | D945 V950 K951 Q952 | D945-S948 PolarHBondContact N-OG 3.07Å; D945-S948 CarbonylContact O-C 3.16Å; D945-S948 WeakPolarHBondContact O-CA 3.46Å; D945-S948 WeakPolarHBondContact O-CB 3.44Å; D945-S948 PolarHBondContact O-N 3.31Å; D945-S948 PolarHBondContact O-OG 3.49Å; D945-S948 PolarHBondContact OD2-N 3.25Å; S948-V950 PolarHBondContact O-N 3.49Å; S948-K951 PolarHBondContact O-N 2.84Å; S948-Q952 WeakPolarHBondContact O-CB 3.47Å; S948-Q952 VanDerWaalsContact O-CG 3.28Å; S948-Q952 WeakPolarHBondContact O-CG 3.5Å; S948-Q952 PolarHBondContact O-N 2.65Å |
| 949 | Y | 60 | Low | 51.6 | Low | 91 Ų | 91 | 50.9 Ų | 50.9 | 36% | 0.357 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -61.1 | -44.6 | 175.1 | 176 | -94.2 | 0 | 0 | 0 | 111.5 | D945 Q952 Q953 W1114 | D945-Y949 PolarHBondContact O-N 3.28Å; Y949-Q952 PolarHBondContact O-N 2.78Å; Y949-Q953 WeakPolarHBondContact O-CB 3.17Å; Y949-Q953 PolarHBondContact O-N 2.94Å; Y949-Q953 PolarHBondContact OH-NE2 2.98Å; Y949-W1114 HydrophobicContact CD1-CH2 4.41Å; Y949-W1114 HydrophobicContact CD1-CZ2 4.29Å; Y949-W1114 HydrophobicContact CE1-CH2 4.4Å; Y949-W1114 AromaticContact CE1-CZ2 3.93Å; Y949-W1114 HydrophobicContact CE1-CZ2 3.93Å |
| 950 | V | 59.1 | Low | 52.8 | Low | 12 Ų | 12 | 47.5 Ų | 47.5 | 7% | 0.073 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -61.9 | -47.1 | 175.6 | 167.2 | 0 | 0 | 0 | 0 | 110.8 | P946 V947 S948 Q952 Q953 I954 W1114 | P946-V950 WeakPolarHBondContact O-CB 3.04Å; P946-V950 WeakPolarHBondContact O-CG2 3.37Å; P946-V950 PolarHBondContact O-N 2.81Å; V947-V950 PolarHBondContact O-N 2.99Å; S948-V950 PolarHBondContact O-N 3.49Å; V950-Q952 VanDerWaalsContact C-N 3.33Å; V950-Q952 PolarHBondContact O-N 3.35Å; V950-Q953 PolarHBondContact O-N 2.9Å; V950-I954 HydrophobicContact CG1-CD1 3.67Å; V950-I954 WeakPolarHBondContact O-CB 3.22Å; V950-I954 VanDerWaalsContact O-CD1 3.27Å; V950-I954 WeakPolarHBondContact O-CD1 3.37Å; V950-I954 WeakPolarHBondContact O-CG1 3.4Å; V950-I954 PolarHBondContact O-N 2.85Å; V950-W1114 HydrophobicContact CB-CB 4.48Å; V950-W1114 HydrophobicContact CG1-CB 4.04Å; V950-W1114 HydrophobicContact CG2-CB 3.53Å; V950-W1114 HydrophobicContact CG2-CD2 3.4Å; V950-W1114 HydrophobicContact CG2-CE3 3.43Å; V950-W1114 VanDerWaalsContact CG2-CE3 3.43Å; V950-W1114 HydrophobicContact CG2-CG 3.46Å; V950-W1114 VanDerWaalsContact CG2-CG 3.46Å; V950-W1114 HydrophobicContact CG2-CZ3 4.3Å |
| 951 | K | 60.5 | Low | 53.9 | Low | 17 Ų | 17 | 45.6 Ų | 45.6 | 7% | 0.074 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -62.1 | -38 | 176.5 | -70.1 | -175.3 | 176.6 | -171.7 | 0 | 112.3 | V947 S948 L955 Y1011 D1091 F1093 | V947-K951 HydrophobicContact CG1-CD 4.42Å; V947-K951 WeakPolarHBondContact O-CG 2.91Å; V947-K951 PolarHBondContact O-N 2.73Å; S948-K951 PolarHBondContact O-N 2.84Å; K951-L955 WeakPolarHBondContact O-CB 3.3Å; K951-L955 PolarHBondContact O-N 3.09Å; K951-Y1011 HydrophobicContact CD-CD1 4.37Å; K951-Y1011 HydrophobicContact CD-CE1 3.66Å; K951-Y1011 PolarHBondContact NZ-OH 3.49Å; K951-D1091 WeakPolarHBondContact CE-OD2 3.46Å; K951-D1091 VanDerWaalsContact NZ-CG 3.25Å; K951-D1091 IonicContact NZ-OD1 3.61Å; K951-D1091 PolarHBondContact NZ-OD1 3.47Å; K951-D1091 IonicContact NZ-OD2 2.73Å; K951-D1091 PolarHBondContact NZ-OD2 3.49Å; K951-F1093 HydrophobicContact CB-CD1 4.39Å; K951-F1093 HydrophobicContact CB-CE1 3.91Å; K951-F1093 HydrophobicContact CB-CZ 4.21Å; K951-F1093 HydrophobicContact CD-CD1 3.93Å; K951-F1093 HydrophobicContact CD-CE1 4.32Å; K951-F1093 HydrophobicContact CD-CG 4.25Å; K951-F1093 HydrophobicContact CG-CD1 3.71Å; K951-F1093 HydrophobicContact CG-CE1 3.68Å; K951-F1093 HydrophobicContact CG-CG 4.47Å; K951-F1093 HydrophobicContact CG-CZ 4.41Å |
| 952 | Q | 61.1 | Low | 54.8 | Low | 57 Ų | 57 | 41.9 Ų | 41.9 | 27% | 0.266 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -68 | -40.8 | 173.1 | -74.1 | 173.6 | -0 | 0 | 0 | 112.6 | S948 Y949 V950 I954 L955 S956 Y1011 | S948-Q952 WeakPolarHBondContact O-CB 3.47Å; S948-Q952 VanDerWaalsContact O-CG 3.28Å; S948-Q952 WeakPolarHBondContact O-CG 3.5Å; S948-Q952 PolarHBondContact O-N 2.65Å; Y949-Q952 PolarHBondContact O-N 2.78Å; V950-Q952 VanDerWaalsContact C-N 3.33Å; V950-Q952 PolarHBondContact O-N 3.35Å; Q952-I954 VanDerWaalsContact C-N 3.35Å; Q952-L955 PolarHBondContact O-N 3.31Å; Q952-S956 VanDerWaalsContact O-CB 3.32Å; Q952-S956 WeakPolarHBondContact O-CB 3.38Å; Q952-S956 PolarHBondContact O-N 3.42Å; Q952-Y1011 PolarHBondContact NE2-O 2.69Å |
| 953 | Q | 57.4 | Low | 55.4 | Low | 61 Ų | 61 | 41.3 Ų | 41.3 | 29% | 0.285 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -66.5 | -38.9 | 178.2 | -164.1 | 174.4 | 48.8 | 0 | 0 | 111.1 | Y949 V950 N957 | Y949-Q953 WeakPolarHBondContact O-CB 3.17Å; Y949-Q953 PolarHBondContact O-N 2.94Å; Y949-Q953 PolarHBondContact OH-NE2 2.98Å; V950-Q953 PolarHBondContact O-N 2.9Å; Q953-N957 PolarHBondContact O-N 2.75Å; Q953-N957 PolarHBondContact O-ND2 3.33Å |
| 954 | I | 59.6 | Low | 55.5 | Low | 6 Ų | 6 | 42.5 Ų | 42.5 | 3% | 0.031 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -60.2 | -52.2 | 169.3 | -67.2 | 158.5 | 0 | 0 | 0 | 110.4 | V950 Q952 S956 N957 I958 F1093 L1094 I1097 L1111 | V950-I954 HydrophobicContact CG1-CD1 3.67Å; V950-I954 WeakPolarHBondContact O-CB 3.22Å; V950-I954 VanDerWaalsContact O-CD1 3.27Å; V950-I954 WeakPolarHBondContact O-CD1 3.37Å; V950-I954 WeakPolarHBondContact O-CG1 3.4Å; V950-I954 PolarHBondContact O-N 2.85Å; Q952-I954 VanDerWaalsContact C-N 3.35Å; I954-S956 VanDerWaalsContact C-N 3.3Å; I954-S956 PolarHBondContact O-N 3.05Å; I954-N957 PolarHBondContact O-N 3.02Å; I954-I958 HydrophobicContact CG2-CD1 3.86Å; I954-I958 WeakPolarHBondContact O-CG1 3.1Å; I954-I958 PolarHBondContact O-N 2.87Å; I954-F1093 HydrophobicContact CB-CE1 4.24Å; I954-F1093 HydrophobicContact CB-CZ 4.46Å; I954-F1093 HydrophobicContact CD1-CE1 4.09Å; I954-F1093 HydrophobicContact CG2-CE1 3.9Å; I954-F1093 HydrophobicContact CG2-CZ 4.02Å; I954-L1094 HydrophobicContact CD1-CD2 3.95Å; I954-I1097 HydrophobicContact CD1-CD1 3.77Å; I954-I1097 HydrophobicContact CG1-CD1 4.31Å; I954-I1097 HydrophobicContact CG2-CD1 3.69Å; I954-I1097 HydrophobicContact CG2-CG1 4.15Å; I954-L1111 HydrophobicContact CD1-CD2 3.65Å; I954-L1111 HydrophobicContact CD1-CG 4.43Å; I954-L1111 HydrophobicContact CG1-CD1 4.22Å; I954-L1111 HydrophobicContact CG1-CD2 3.75Å; I954-L1111 HydrophobicContact CG1-CG 3.98Å |
| 955 | L | 59 | Low | 55 | Low | 51 Ų | 51 | 44.4 Ų | 44.4 | 27% | 0.267 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -60.8 | -39.9 | -178.9 | -152 | 81.4 | 0 | 0 | 0 | 111.8 | F918 K951 Q952 I958 V959 F1093 | F918-L955 HydrophobicContact CZ-CD2 4.48Å; K951-L955 WeakPolarHBondContact O-CB 3.3Å; K951-L955 PolarHBondContact O-N 3.09Å; Q952-L955 PolarHBondContact O-N 3.31Å; L955-I958 PolarHBondContact O-N 2.74Å; L955-V959 WeakPolarHBondContact O-CG2 3.45Å; L955-V959 PolarHBondContact O-N 3.29Å; L955-F1093 HydrophobicContact CD1-CE2 4.19Å; L955-F1093 HydrophobicContact CD1-CZ 4.31Å |
| 956 | S | 55.1 | Low | 54.4 | Low | 48 Ų | 48 | 50.3 Ų | 50.3 | 34% | 0.336 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -63.5 | -44.9 | 175.9 | -170.5 | 0 | 0 | 0 | 0 | 111.6 | Q952 I954 I958 V959 C960 | Q952-S956 VanDerWaalsContact O-CB 3.32Å; Q952-S956 WeakPolarHBondContact O-CB 3.38Å; Q952-S956 PolarHBondContact O-N 3.42Å; I954-S956 VanDerWaalsContact C-N 3.3Å; I954-S956 PolarHBondContact O-N 3.05Å; S956-I958 VanDerWaalsContact C-N 3.31Å; S956-I958 PolarHBondContact O-N 3.5Å; S956-V959 PolarHBondContact O-N 2.8Å; S956-C960 WeakPolarHBondContact O-CB 3.18Å; S956-C960 PolarHBondContact O-N 3.25Å; S956-C960 PolarHBondContact O-SG 3.29Å |
| 957 | N | 54.9 | Low | 54.3 | Low | 50 Ų | 50 | 51.8 Ų | 51.8 | 27% | 0.267 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -63 | -38.6 | 176.1 | -69.7 | -16.8 | 0 | 0 | 0 | 111.6 | Q953 I954 C960 A961 | Q953-N957 PolarHBondContact O-N 2.75Å; Q953-N957 PolarHBondContact O-ND2 3.33Å; I954-N957 PolarHBondContact O-N 3.02Å; N957-C960 PolarHBondContact O-N 2.94Å; N957-A961 WeakPolarHBondContact O-CB 3.32Å; N957-A961 PolarHBondContact O-N 2.91Å |
| 958 | I | 56.5 | Low | 54.1 | Low | 7 Ų | 7 | 56.2 Ų | 56.2 | 4% | 0.036 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -63.5 | -46.7 | 174.8 | -68.5 | 171.3 | 0 | 0 | 0 | 111.1 | I954 L955 S956 A961 I962 L977 L1100 | I954-I958 HydrophobicContact CG2-CD1 3.86Å; I954-I958 WeakPolarHBondContact O-CG1 3.1Å; I954-I958 PolarHBondContact O-N 2.87Å; L955-I958 PolarHBondContact O-N 2.74Å; S956-I958 VanDerWaalsContact C-N 3.31Å; S956-I958 PolarHBondContact O-N 3.5Å; I958-A961 PolarHBondContact O-N 3.42Å; I958-I962 HydrophobicContact CG2-CD1 3.85Å; I958-I962 WeakPolarHBondContact O-CD1 3.32Å; I958-I962 VanDerWaalsContact O-CG1 3.31Å; I958-I962 WeakPolarHBondContact O-CG1 3.31Å; I958-I962 PolarHBondContact O-N 2.94Å; I958-L977 HydrophobicContact CG2-CD1 4.37Å; I958-L977 HydrophobicContact CG2-CD2 4.15Å; I958-L977 HydrophobicContact CG2-CG 4.09Å; I958-L1100 HydrophobicContact CD1-CD1 3.56Å; I958-L1100 HydrophobicContact CG1-CD1 3.56Å |
| 959 | V | 54.9 | Low | 53.8 | Low | 40 Ų | 40 | 57.8 Ų | 57.8 | 24% | 0.242 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -62.7 | -43.6 | 176.9 | 169.9 | 0 | 0 | 0 | 0 | 111.1 | L911 L955 S956 A961 I962 C963 | L911-V959 HydrophobicContact CD2-CG2 4.23Å; L955-V959 WeakPolarHBondContact O-CG2 3.45Å; L955-V959 PolarHBondContact O-N 3.29Å; S956-V959 PolarHBondContact O-N 2.8Å; V959-A961 VanDerWaalsContact C-N 3.35Å; V959-A961 PolarHBondContact O-N 3.23Å; V959-I962 PolarHBondContact O-N 3.32Å; V959-C963 PolarHBondContact O-N 3.41Å; V959-C963 VanDerWaalsContact O-N 3.1Å; V959-C963 PolarHBondContact O-SG 3.42Å; V959-C963 VanDerWaalsContact O-SG 3.35Å |
| 960 | C | 51.3 | Low | 53.6 | Low | 74 Ų | 74 | 54.9 Ų | 54.9 | 50% | 0.5 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -60.2 | -41.3 | 174.9 | -71.9 | 0 | 0 | 0 | 0 | 112.5 | S956 N957 I962 C963 | S956-C960 WeakPolarHBondContact O-CB 3.18Å; S956-C960 PolarHBondContact O-N 3.25Å; S956-C960 PolarHBondContact O-SG 3.29Å; N957-C960 PolarHBondContact O-N 2.94Å; C960-I962 VanDerWaalsContact C-N 3.33Å; C960-I962 PolarHBondContact O-N 3.36Å; C960-C963 PolarHBondContact O-N 3.33Å |
| 961 | A | 52 | Low | 53.5 | Low | 13 Ų | 13 | 59.2 Ų | 59.2 | 11% | 0.107 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -64.9 | -34.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | N957 I958 V959 C963 I964 I969 | N957-A961 WeakPolarHBondContact O-CB 3.32Å; N957-A961 PolarHBondContact O-N 2.91Å; I958-A961 PolarHBondContact O-N 3.42Å; V959-A961 VanDerWaalsContact C-N 3.35Å; V959-A961 PolarHBondContact O-N 3.23Å; A961-C963 VanDerWaalsContact C-N 3.33Å; A961-I964 PolarHBondContact O-N 2.83Å; A961-I969 HydrophobicContact CB-CG2 3.93Å |
| 962 | I | 52.7 | Low | 53.3 | Low | 22 Ų | 22 | 59.5 Ų | 59.5 | 11% | 0.113 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -72.3 | -26.9 | 176.7 | -65.9 | 162 | 0 | 0 | 0 | 112 | L911 I958 V959 C960 I964 A973 L977 | L911-I962 HydrophobicContact CD1-CG2 3.79Å; I958-I962 HydrophobicContact CG2-CD1 3.85Å; I958-I962 WeakPolarHBondContact O-CD1 3.32Å; I958-I962 VanDerWaalsContact O-CG1 3.31Å; I958-I962 WeakPolarHBondContact O-CG1 3.31Å; I958-I962 PolarHBondContact O-N 2.94Å; V959-I962 PolarHBondContact O-N 3.32Å; C960-I962 VanDerWaalsContact C-N 3.33Å; C960-I962 PolarHBondContact O-N 3.36Å; I962-I964 PolarHBondContact O-N 2.69Å; I962-A973 HydrophobicContact CD1-CB 4.03Å; I962-A973 HydrophobicContact CG1-CB 3.55Å; I962-L977 HydrophobicContact CD1-CD1 3.38Å; I962-L977 HydrophobicContact CD1-CG 4.26Å |
| 963 | C | 48 | Very low | 53.2 | Low | 96 Ų | 96 | 56.8 Ų | 56.8 | 65% | 0.649 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.4 | -4.9 | 176 | -71.6 | 0 | 0 | 0 | 0 | 114.5 | V959 C960 A961 P965 | V959-C963 PolarHBondContact O-N 3.41Å; V959-C963 VanDerWaalsContact O-N 3.1Å; V959-C963 PolarHBondContact O-SG 3.42Å; V959-C963 VanDerWaalsContact O-SG 3.35Å; C960-C963 PolarHBondContact O-N 3.33Å; A961-C963 VanDerWaalsContact C-N 3.33Å; C963-P965 WeakPolarHBondContact O-CD 3.48Å |
| 964 | I | 46.2 | Very low | 53.2 | Low | 92 Ų | 92 | 56.4 Ų | 56.4 | 47% | 0.472 | 33% | 0.33 | S | S | . | . | S | Bend | trans | -94.7 | 107.7 | 175 | -55.3 | 175.3 | 0 | 0 | 0 | 108.9 | A961 I962 T970 | A961-I964 PolarHBondContact O-N 2.83Å; I962-I964 PolarHBondContact O-N 2.69Å; I964-T970 PolarHBondContact O-OG1 3.07Å |
| 965 | P | 37.2 | Very low | 53.3 | Low | 105 Ų | 105 | 61.3 Ų | 61.3 | 68% | 0.682 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.1 | 147.4 | 179.1 | 28.9 | -34.4 | 0 | 0 | 0 | 112.2 | C963 S967 | C963-P965 WeakPolarHBondContact O-CD 3.48Å; P965-S967 PolarHBondContact O-N 2.94Å |
| 966 | N | 43.2 | Very low | 53.4 | Low | 175 Ų | 175 | 58.9 Ų | 58.9 | 94% | 0.936 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61 | 28.1 | 175.2 | -61.4 | -9.2 | 0 | 0 | 0 | 116.7 | ||
| 967 | S | 54.2 | Low | 53.5 | Low | 32 Ų | 32 | 58.3 Ų | 58.3 | 22% | 0.224 | 33% | 0.333 | C | S | . | . | trans | -97.8 | 155.3 | 166.2 | 85 | 0 | 0 | 0 | 0 | 111.5 | P965 I969 T970 | P965-S967 PolarHBondContact O-N 2.94Å; S967-I969 PolarHBondContact O-N 3.25Å; S967-I969 WeakPolarHBondContact OG-CB 3.34Å; S967-I969 PolarHBondContact OG-N 3.17Å; S967-T970 PolarHBondContact N-OG1 3Å; S967-T970 WeakPolarHBondContact O-CB 3.38Å; S967-T970 PolarHBondContact O-N 2.7Å; S967-T970 PolarHBondContact O-OG1 3.2Å; S967-T970 VanDerWaalsContact O-OG1 3.09Å; S967-T970 PolarHBondContact OG-N 3.43Å; S967-T970 VanDerWaalsContact OG-N 3.13Å; S967-T970 PolarHBondContact OG-OG1 2.82Å | ||
| 968 | L | 54 | Low | 53.9 | Low | 122 Ų | 122 | 61.4 Ų | 61.4 | 64% | 0.639 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -63.1 | -29.7 | 171.1 | -138.8 | 84 | 0 | 0 | 0 | 111.6 | T970 L971 N972 F1103 | L968-T970 VanDerWaalsContact C-N 3.27Å; L968-T970 PolarHBondContact O-N 3.04Å; L968-L971 PolarHBondContact O-N 3.17Å; L968-N972 PolarHBondContact O-N 2.82Å; L968-N972 PolarHBondContact O-ND2 3.33Å; L968-F1103 HydrophobicContact CD2-CE1 3.98Å |
| 969 | I | 53.8 | Low | 54 | Low | 42 Ų | 42 | 64.5 Ų | 64.5 | 22% | 0.215 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -59.7 | -39.1 | 178.1 | -36.5 | 179.7 | 0 | 0 | 0 | 110.6 | A961 S967 L971 N972 A973 F1103 | A961-I969 HydrophobicContact CB-CG2 3.93Å; S967-I969 PolarHBondContact O-N 3.25Å; S967-I969 WeakPolarHBondContact OG-CB 3.34Å; S967-I969 PolarHBondContact OG-N 3.17Å; I969-L971 PolarHBondContact O-N 2.92Å; I969-N972 PolarHBondContact O-N 3.48Å; I969-A973 WeakPolarHBondContact O-CB 3.41Å; I969-A973 PolarHBondContact O-N 3.26Å; I969-F1103 HydrophobicContact CB-CB 4.41Å; I969-F1103 WeakPolarHBondContact CD1-O 3.38Å; I969-F1103 HydrophobicContact CG1-CB 4.21Å; I969-F1103 HydrophobicContact CG2-CB 3.98Å |
| 970 | T | 54.6 | Low | 54 | Low | 31 Ų | 31 | 63.8 Ų | 63.8 | 19% | 0.19 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -60.3 | -35.8 | -179 | -31.7 | 0 | 0 | 0 | 0 | 111.8 | I964 S967 L968 S974 | I964-T970 PolarHBondContact O-OG1 3.07Å; S967-T970 PolarHBondContact N-OG1 3Å; S967-T970 WeakPolarHBondContact O-CB 3.38Å; S967-T970 PolarHBondContact O-N 2.7Å; S967-T970 PolarHBondContact O-OG1 3.2Å; S967-T970 VanDerWaalsContact O-OG1 3.09Å; S967-T970 PolarHBondContact OG-N 3.43Å; S967-T970 VanDerWaalsContact OG-N 3.13Å; S967-T970 PolarHBondContact OG-OG1 2.82Å; L968-T970 VanDerWaalsContact C-N 3.27Å; L968-T970 PolarHBondContact O-N 3.04Å; T970-S974 PolarHBondContact O-N 3.02Å |
| 971 | L | 57.1 | Low | 54.2 | Low | 103 Ų | 103 | 65.6 Ų | 65.6 | 54% | 0.539 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -73.2 | -50.9 | 179.6 | -133.4 | 165.4 | 0 | 0 | 0 | 110.4 | L968 I969 A973 S974 E975 | L968-L971 PolarHBondContact O-N 3.17Å; I969-L971 PolarHBondContact O-N 2.92Å; L971-A973 VanDerWaalsContact C-N 3.35Å; L971-A973 PolarHBondContact O-N 3.4Å; L971-S974 WeakPolarHBondContact O-CA 3.38Å; L971-S974 WeakPolarHBondContact O-CB 3.32Å; L971-S974 PolarHBondContact O-N 3.2Å; L971-S974 PolarHBondContact O-OG 2.8Å; L971-E975 PolarHBondContact O-N 3.36Å |
| 972 | N | 57.4 | Low | 54.4 | Low | 23 Ų | 23 | 69.1 Ų | 69.1 | 12% | 0.123 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -74.3 | -26.6 | -175.9 | -55.1 | -24.2 | 0 | 0 | 0 | 112.3 | L968 I969 S974 E975 V976 F1103 | L968-N972 PolarHBondContact O-N 2.82Å; L968-N972 PolarHBondContact O-ND2 3.33Å; I969-N972 PolarHBondContact O-N 3.48Å; N972-S974 VanDerWaalsContact C-N 3.34Å; N972-E975 PolarHBondContact O-N 2.91Å; N972-V976 PolarHBondContact O-N 3.02Å; N972-F1103 HydrophobicContact CB-CD2 3.88Å; N972-F1103 HydrophobicContact CB-CE2 3.9Å; N972-F1103 WeakPolarHBondContact ND2-CD2 3.35Å; N972-F1103 WeakPolarHBondContact ND2-CE1 3.21Å; N972-F1103 WeakPolarHBondContact ND2-CE2 3.33Å; N972-F1103 WeakPolarHBondContact ND2-CZ 3.47Å |
| 973 | A | 57.6 | Low | 54.2 | Low | 0 Ų | 0 | 72 Ų | 72 | 0% | 0 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -67.9 | -33.5 | 167.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | I962 I969 L971 L977 L1100 | I962-A973 HydrophobicContact CD1-CB 4.03Å; I962-A973 HydrophobicContact CG1-CB 3.55Å; I969-A973 WeakPolarHBondContact O-CB 3.41Å; I969-A973 PolarHBondContact O-N 3.26Å; L971-A973 VanDerWaalsContact C-N 3.35Å; L971-A973 PolarHBondContact O-N 3.4Å; A973-L977 WeakPolarHBondContact O-CG 3.47Å; A973-L977 PolarHBondContact O-N 3.05Å; A973-L977 VanDerWaalsContact O-N 3.08Å; A973-L1100 HydrophobicContact CB-CD2 3.86Å |
| 974 | S | 58.8 | Low | 54.1 | Low | 52 Ų | 52 | 70.3 Ų | 70.3 | 36% | 0.364 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -69.7 | -36 | 171.1 | 84.9 | 0 | 0 | 0 | 0 | 111.9 | T970 L971 N972 H978 | T970-S974 PolarHBondContact O-N 3.02Å; L971-S974 WeakPolarHBondContact O-CA 3.38Å; L971-S974 WeakPolarHBondContact O-CB 3.32Å; L971-S974 PolarHBondContact O-N 3.2Å; L971-S974 PolarHBondContact O-OG 2.8Å; N972-S974 VanDerWaalsContact C-N 3.34Å; S974-H978 VanDerWaalsContact O-CB 3.29Å; S974-H978 WeakPolarHBondContact O-CB 3.49Å; S974-H978 PolarHBondContact O-N 3.48Å |
| 975 | E | 61.7 | Low | 53.8 | Low | 109 Ų | 109 | 67.3 Ų | 67.3 | 51% | 0.509 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -65.1 | -44.7 | 172.8 | -67.7 | -170.1 | 160.3 | 0 | 0 | 112.4 | L971 N972 L977 H978 E979 | L971-E975 PolarHBondContact O-N 3.36Å; N972-E975 PolarHBondContact O-N 2.91Å; E975-L977 PolarHBondContact O-N 3.3Å; E975-H978 CarbonylContact O-C 3.46Å; E975-H978 WeakPolarHBondContact O-CA 3.31Å; E975-H978 WeakPolarHBondContact O-CB 3.27Å; E975-H978 PolarHBondContact O-N 3.46Å; E975-E979 PolarHBondContact O-N 2.85Å |
| 976 | V | 60.4 | Low | 54 | Low | 0 Ų | 0 | 66.5 Ų | 66.5 | 0% | 0 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -64.4 | -40.1 | 176.5 | 168.8 | 0 | 0 | 0 | 0 | 112 | N972 H978 E979 L980 C1096 P1099 L1100 | N972-V976 PolarHBondContact O-N 3.02Å; V976-H978 VanDerWaalsContact C-N 3.3Å; V976-H978 PolarHBondContact O-N 2.72Å; V976-E979 PolarHBondContact O-N 3.05Å; V976-L980 HydrophobicContact CG1-CD1 3.97Å; V976-L980 HydrophobicContact CG1-CG 4.45Å; V976-L980 WeakPolarHBondContact O-CB 3.45Å; V976-L980 WeakPolarHBondContact O-CG 3.44Å; V976-L980 PolarHBondContact O-N 3.47Å; V976-C1096 HydrophobicContact CG1-CB 4.48Å; V976-C1096 WeakPolarHBondContact CG1-O 3.24Å; V976-C1096 WeakPolarHBondContact CG2-O 3.5Å; V976-P1099 HydrophobicContact CG2-CB 3.78Å; V976-P1099 HydrophobicContact CG2-CG 3.66Å; V976-L1100 HydrophobicContact CB-CD1 3.86Å; V976-L1100 HydrophobicContact CB-CG 4.24Å; V976-L1100 HydrophobicContact CG1-CD1 3.72Å; V976-L1100 HydrophobicContact CG2-CD1 3.92Å; V976-L1100 HydrophobicContact CG2-CG 3.85Å |
| 977 | L | 57.6 | Low | 53.8 | Low | 37 Ų | 37 | 63.8 Ų | 63.8 | 19% | 0.194 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -61.8 | -40.7 | 170.3 | -74.3 | -177 | 0 | 0 | 0 | 111.1 | I958 I962 A973 E975 L980 F981 | I958-L977 HydrophobicContact CG2-CD1 4.37Å; I958-L977 HydrophobicContact CG2-CD2 4.15Å; I958-L977 HydrophobicContact CG2-CG 4.09Å; I962-L977 HydrophobicContact CD1-CD1 3.38Å; I962-L977 HydrophobicContact CD1-CG 4.26Å; A973-L977 WeakPolarHBondContact O-CG 3.47Å; A973-L977 PolarHBondContact O-N 3.05Å; A973-L977 VanDerWaalsContact O-N 3.08Å; E975-L977 PolarHBondContact O-N 3.3Å; L977-L980 HydrophobicContact CD2-CD1 4.46Å; L977-L980 PolarHBondContact O-N 3.4Å; L977-F981 WeakPolarHBondContact O-CB 3.46Å; L977-F981 WeakPolarHBondContact O-CD2 3.33Å; L977-F981 PolarHBondContact O-N 3.21Å |
| 978 | H | 63.4 | Low | 52.9 | Low | 114 Ų | 114 | 64.9 Ų | 64.9 | 53% | 0.528 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -67.8 | -32.4 | 177.7 | -158.3 | -32.2 | 0 | 0 | 0 | 112.7 | S974 E975 V976 N982 | S974-H978 VanDerWaalsContact O-CB 3.29Å; S974-H978 WeakPolarHBondContact O-CB 3.49Å; S974-H978 PolarHBondContact O-N 3.48Å; E975-H978 CarbonylContact O-C 3.46Å; E975-H978 WeakPolarHBondContact O-CA 3.31Å; E975-H978 WeakPolarHBondContact O-CB 3.27Å; E975-H978 PolarHBondContact O-N 3.46Å; V976-H978 VanDerWaalsContact C-N 3.3Å; V976-H978 PolarHBondContact O-N 2.72Å; H978-N982 PolarHBondContact CE1-ND2 3.28Å; H978-N982 PolarHBondContact ND1-ND2 3.05Å; H978-N982 VanDerWaalsContact ND1-ND2 3.16Å; H978-N982 WeakPolarHBondContact O-CB 3.39Å; H978-N982 PolarHBondContact O-N 3.44Å; H978-N982 PolarHBondContact O-ND2 3.16Å |
| 979 | E | 58.9 | Low | 52.2 | Low | 73 Ų | 73 | 64.1 Ų | 64.1 | 34% | 0.341 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -73.7 | -43.2 | 175.1 | -158.8 | -164.5 | 163.8 | 0 | 0 | 111.4 | E975 V976 N982 K983 | E975-E979 PolarHBondContact O-N 2.85Å; V976-E979 PolarHBondContact O-N 3.05Å; E979-N982 PolarHBondContact O-N 3.35Å; E979-N982 VanDerWaalsContact O-N 3.17Å; E979-K983 PolarHBondContact O-N 3.45Å; E979-K983 WeakPolarHBondContact OE1-CE 3.43Å; E979-K983 IonicContact OE1-NZ 3.99Å; E979-K983 PolarHBondContact OE1-NZ 3.28Å |
| 980 | L | 54.6 | Low | 51.4 | Low | 24 Ų | 24 | 65.9 Ų | 65.9 | 13% | 0.126 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -57.3 | -49 | 170 | -77.3 | 165.9 | 0 | 0 | 0 | 110.8 | V976 L977 N982 K983 C984 F1093 C1096 | V976-L980 HydrophobicContact CG1-CD1 3.97Å; V976-L980 HydrophobicContact CG1-CG 4.45Å; V976-L980 WeakPolarHBondContact O-CB 3.45Å; V976-L980 WeakPolarHBondContact O-CG 3.44Å; V976-L980 PolarHBondContact O-N 3.47Å; L977-L980 HydrophobicContact CD2-CD1 4.46Å; L977-L980 PolarHBondContact O-N 3.4Å; L980-N982 VanDerWaalsContact C-N 3.31Å; L980-N982 PolarHBondContact O-N 3.08Å; L980-K983 PolarHBondContact O-N 3.1Å; L980-C984 VanDerWaalsContact O-CB 3.31Å; L980-C984 WeakPolarHBondContact O-CB 3.24Å; L980-C984 PolarHBondContact O-N 3.46Å; L980-C984 PolarHBondContact O-SG 2.88Å; L980-C984 VanDerWaalsContact O-SG 3.33Å; L980-F1093 HydrophobicContact CD1-CE2 4.33Å; L980-F1093 HydrophobicContact CD2-CD2 3.78Å; L980-F1093 HydrophobicContact CD2-CE2 4.39Å; L980-F1093 HydrophobicContact CD2-CG 4.39Å; L980-C1096 HydrophobicContact CD2-CB 3.61Å; L980-C1096 HydrophobicContact CG-CB 3.7Å |
| 981 | F | 55.1 | Low | 50.4 | Low | 113 Ų | 113 | 67.7 Ų | 67.7 | 50% | 0.496 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -65.4 | -30.4 | 175.6 | -83.7 | -63.6 | 0 | 0 | 0 | 112.7 | L977 C984 S985 | L977-F981 WeakPolarHBondContact O-CB 3.46Å; L977-F981 WeakPolarHBondContact O-CD2 3.33Å; L977-F981 PolarHBondContact O-N 3.21Å; F981-C984 CarbonylContact O-C 3.4Å; F981-S985 WeakPolarHBondContact O-CA 2.76Å; F981-S985 VanDerWaalsContact O-CB 3.24Å; F981-S985 WeakPolarHBondContact O-CB 3.46Å; F981-S985 PolarHBondContact O-N 2.95Å |
| 982 | N | 55 | Low | 49.3 | Very low | 86 Ų | 86 | 69.3 Ų | 69.3 | 46% | 0.46 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -77.2 | -38 | 176.2 | -84.8 | -18.2 | 0 | 0 | 0 | 113.6 | H978 E979 L980 C984 S985 | H978-N982 PolarHBondContact CE1-ND2 3.28Å; H978-N982 PolarHBondContact ND1-ND2 3.05Å; H978-N982 VanDerWaalsContact ND1-ND2 3.16Å; H978-N982 WeakPolarHBondContact O-CB 3.39Å; H978-N982 PolarHBondContact O-N 3.44Å; H978-N982 PolarHBondContact O-ND2 3.16Å; E979-N982 PolarHBondContact O-N 3.35Å; E979-N982 VanDerWaalsContact O-N 3.17Å; L980-N982 VanDerWaalsContact C-N 3.31Å; L980-N982 PolarHBondContact O-N 3.08Å; N982-C984 VanDerWaalsContact C-N 3.31Å; N982-S985 PolarHBondContact O-N 3.23Å; N982-S985 PolarHBondContact O-OG 3.32Å |
| 983 | K | 49.6 | Very low | 48.2 | Very low | 83 Ų | 83 | 72.8 Ų | 72.8 | 36% | 0.361 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -65 | -41.3 | 171.6 | -71 | 178.5 | -169.1 | 159.5 | 0 | 110 | E979 L980 S985 S986 C1096 | E979-K983 PolarHBondContact O-N 3.45Å; E979-K983 WeakPolarHBondContact OE1-CE 3.43Å; E979-K983 IonicContact OE1-NZ 3.99Å; E979-K983 PolarHBondContact OE1-NZ 3.28Å; L980-K983 PolarHBondContact O-N 3.1Å; K983-S985 VanDerWaalsContact C-N 3.29Å; K983-S985 PolarHBondContact O-N 2.93Å; K983-S986 PolarHBondContact O-OG 3.18Å; K983-C1096 PolarHBondContact NZ-SG 3.02Å |
| 984 | C | 46.5 | Very low | 46.9 | Very low | 60 Ų | 60 | 80.8 Ų | 80.8 | 41% | 0.405 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -65.9 | -24.1 | 168 | -69.5 | 0 | 0 | 0 | 0 | 113.9 | L980 F981 N982 S986 L987 V988 | L980-C984 VanDerWaalsContact O-CB 3.31Å; L980-C984 WeakPolarHBondContact O-CB 3.24Å; L980-C984 PolarHBondContact O-N 3.46Å; L980-C984 PolarHBondContact O-SG 2.88Å; L980-C984 VanDerWaalsContact O-SG 3.33Å; F981-C984 CarbonylContact O-C 3.4Å; N982-C984 VanDerWaalsContact C-N 3.31Å; C984-S986 PolarHBondContact O-N 3.44Å; C984-L987 WeakPolarHBondContact O-CB 3.27Å; C984-L987 PolarHBondContact O-N 3.4Å; C984-V988 PolarHBondContact O-N 3.29Å; C984-V988 VanDerWaalsContact O-N 3.1Å |
| 985 | S | 38.9 | Very low | 45.7 | Very low | 29 Ų | 29 | 84.3 Ų | 84.3 | 20% | 0.203 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -70.6 | -20.6 | -176.9 | 81.3 | 0 | 0 | 0 | 0 | 112.5 | F981 N982 K983 L987 V988 I989 | F981-S985 WeakPolarHBondContact O-CA 2.76Å; F981-S985 VanDerWaalsContact O-CB 3.24Å; F981-S985 WeakPolarHBondContact O-CB 3.46Å; F981-S985 PolarHBondContact O-N 2.95Å; N982-S985 PolarHBondContact O-N 3.23Å; N982-S985 PolarHBondContact O-OG 3.32Å; K983-S985 VanDerWaalsContact C-N 3.29Å; K983-S985 PolarHBondContact O-N 2.93Å; S985-L987 PolarHBondContact O-N 2.84Å; S985-V988 PolarHBondContact O-N 3.43Å; S985-V988 VanDerWaalsContact O-N 3.17Å; S985-I989 VanDerWaalsContact O-CB 3.24Å; S985-I989 WeakPolarHBondContact O-CB 3.44Å; S985-I989 WeakPolarHBondContact O-CD1 3.42Å; S985-I989 WeakPolarHBondContact O-CG1 3Å; S985-I989 PolarHBondContact O-N 3.35Å |
| 986 | S | 42.4 | Very low | 44.2 | Very low | 89 Ų | 89 | 84.1 Ų | 84.1 | 62% | 0.622 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -53.6 | -36.1 | 165.9 | 66 | 0 | 0 | 0 | 0 | 112.8 | K983 C984 | K983-S986 PolarHBondContact O-OG 3.18Å; C984-S986 PolarHBondContact O-N 3.44Å |
| 987 | L | 37.3 | Very low | 42.8 | Very low | 118 Ų | 118 | 93.1 Ų | 93.1 | 62% | 0.618 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -82.2 | -43.5 | 172 | -79.1 | 154.4 | 0 | 0 | 0 | 111.9 | C984 S985 I989 S990 | C984-L987 WeakPolarHBondContact O-CB 3.27Å; C984-L987 PolarHBondContact O-N 3.4Å; S985-L987 PolarHBondContact O-N 2.84Å; L987-I989 PolarHBondContact O-N 2.77Å; L987-S990 WeakPolarHBondContact O-CB 3.28Å; L987-S990 PolarHBondContact O-N 2.92Å; L987-S990 PolarHBondContact O-OG 3.31Å |
| 988 | V | 36.5 | Very low | 41.6 | Very low | 55 Ų | 55 | 98.9 Ų | 98.9 | 33% | 0.333 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -65.8 | -37.4 | -177.4 | -177.2 | 0 | 0 | 0 | 0 | 112.5 | C984 S985 S990 L991 L992 | C984-V988 PolarHBondContact O-N 3.29Å; C984-V988 VanDerWaalsContact O-N 3.1Å; S985-V988 PolarHBondContact O-N 3.43Å; S985-V988 VanDerWaalsContact O-N 3.17Å; V988-S990 PolarHBondContact O-N 3.32Å; V988-L991 WeakPolarHBondContact O-CA 3.48Å; V988-L991 WeakPolarHBondContact O-CB 3.29Å; V988-L991 PolarHBondContact O-N 3.28Å; V988-L992 HydrophobicContact CG1-CD1 3.93Å; V988-L992 HydrophobicContact CG1-CG 4.1Å; V988-L992 WeakPolarHBondContact O-CG 3.42Å; V988-L992 PolarHBondContact O-N 3.42Å |
| 989 | I | 38.9 | Very low | 40.2 | Very low | 106 Ų | 106 | 99.7 Ų | 99.7 | 54% | 0.544 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -64.4 | -30.2 | 176.8 | -68.3 | 165.1 | 0 | 0 | 0 | 111.1 | S985 L987 L991 | S985-I989 VanDerWaalsContact O-CB 3.24Å; S985-I989 WeakPolarHBondContact O-CB 3.44Å; S985-I989 WeakPolarHBondContact O-CD1 3.42Å; S985-I989 WeakPolarHBondContact O-CG1 3Å; S985-I989 PolarHBondContact O-N 3.35Å; L987-I989 PolarHBondContact O-N 2.77Å; I989-L991 PolarHBondContact O-N 3.48Å |
| 990 | S | 37.3 | Very low | 39 | Very low | 78 Ų | 78 | 102.8 Ų | 102.8 | 55% | 0.545 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -69.5 | -18 | 172.8 | 80.8 | 0 | 0 | 0 | 0 | 113.9 | L987 V988 T993 | L987-S990 WeakPolarHBondContact O-CB 3.28Å; L987-S990 PolarHBondContact O-N 2.92Å; L987-S990 PolarHBondContact O-OG 3.31Å; V988-S990 PolarHBondContact O-N 3.32Å; S990-T993 PolarHBondContact O-OG1 2.65Å |
| 991 | L | 33.1 | Very low | 38.1 | Very low | 70 Ų | 70 | 106.5 Ų | 106.5 | 37% | 0.366 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -100.9 | -24.7 | -179.3 | -72.2 | 157.9 | 0 | 0 | 0 | 113 | V988 I989 T993 Y1003 | V988-L991 WeakPolarHBondContact O-CA 3.48Å; V988-L991 WeakPolarHBondContact O-CB 3.29Å; V988-L991 PolarHBondContact O-N 3.28Å; I989-L991 PolarHBondContact O-N 3.48Å; L991-T993 PolarHBondContact O-N 2.96Å; L991-Y1003 HydrophobicContact CD1-CD1 4.13Å; L991-Y1003 HydrophobicContact CD1-CE1 3.44Å; L991-Y1003 VanDerWaalsContact CD1-CE1 3.44Å; L991-Y1003 HydrophobicContact CD2-CE1 4.02Å; L991-Y1003 HydrophobicContact CD2-CE2 4.24Å; L991-Y1003 WeakPolarHBondContact CD2-OH 3.48Å; L991-Y1003 HydrophobicContact CG-CE1 4.39Å |
| 992 | L | 34.5 | Very low | 37.2 | Very low | 136 Ų | 136 | 105.2 Ų | 105.2 | 71% | 0.712 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.4 | -0.4 | -179.6 | -74.2 | 171.2 | 0 | 0 | 0 | 114.6 | V988 | V988-L992 HydrophobicContact CG1-CD1 3.93Å; V988-L992 HydrophobicContact CG1-CG 4.1Å; V988-L992 WeakPolarHBondContact O-CG 3.42Å; V988-L992 PolarHBondContact O-N 3.42Å |
| 993 | T | 34.9 | Very low | 36.4 | Very low | 97 Ų | 97 | 106.2 Ų | 106.2 | 60% | 0.595 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.7 | -6.8 | -175.5 | 49.3 | 0 | 0 | 0 | 0 | 115.1 | S990 L991 | S990-T993 PolarHBondContact O-OG1 2.65Å; L991-T993 PolarHBondContact O-N 2.96Å |
| 994 | H | 29.5 | Very low | 35.7 | Very low | 167 Ų | 167 | 106.4 Ų | 106.4 | 77% | 0.773 | 59% | 0.59 | S | S | * | * | S | Bend | trans | -136.9 | 112.3 | 176 | -75.4 | -57.8 | 0 | 0 | 0 | 112.9 | ||
| 995 | P | 32.9 | Very low | 35.3 | Very low | 126 Ų | 126 | 107.2 Ų | 107.2 | 82% | 0.818 | 59% | 0.588 | S | S | * | * | trans | -87.4 | 129.9 | -177.9 | 32.8 | -33.3 | 0 | 0 | 0 | 113.3 | ||||
| 996 | S | 30.4 | Very low | 35.3 | Very low | 106 Ų | 106 | 109.9 Ų | 109.9 | 74% | 0.741 | 60% | 0.604 | S | S | * | * | trans | -152.3 | 132.7 | 153.8 | 63.6 | 0 | 0 | 0 | 0 | 109.9 | N998 | S996-N998 PolarHBondContact O-N 3.28Š| ||
| 997 | E | 30.9 | Very low | 35 | Very low | 188 Ų | 188 | 109.5 Ų | 109.5 | 88% | 0.879 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.4 | -1.5 | -144.9 | -63.7 | -179.3 | 116.1 | 0 | 0 | 117 | ||
| 998 | N | 32.3 | Very low | 35 | Very low | 158 Ų | 158 | 106.4 Ų | 106.4 | 85% | 0.845 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.3 | 18.8 | -164.2 | -82.1 | -45.4 | 0 | 0 | 0 | 116.8 | S996 | S996-N998 PolarHBondContact O-N 3.28Š|
| 999 | Q | 34.5 | Very low | 35 | Very low | 132 Ų | 132 | 105.5 Ų | 105.5 | 62% | 0.617 | 58% | 0.575 | S | S | * | * | trans | -132 | 8.3 | -179.1 | -65.6 | -167.6 | -6.8 | 0 | 0 | 116.3 | T1002 Y1003 | Q999-T1002 PolarHBondContact O-N 3.27Å; Q999-T1002 PolarHBondContact O-OG1 3.43Å; Q999-Y1003 PolarHBondContact O-N 3.41Å | ||
| 1000 | L | 33.7 | Very low | 35 | Very low | 138 Ų | 138 | 104.7 Ų | 104.7 | 72% | 0.723 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -59 | -42.8 | -177.3 | -154.3 | 77.4 | 0 | 0 | 0 | 114.5 | Y1003 L1004 | L1000-Y1003 PolarHBondContact O-N 3.34Å; L1000-L1004 PolarHBondContact O-N 3.43Å |
| 1001 | P | 35.2 | Very low | 35 | Very low | 101 Ų | 101 | 105.6 Ų | 105.6 | 66% | 0.656 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -64.1 | -42.8 | 178.7 | -21.6 | 34.3 | 0 | 0 | 0 | 112.4 | Y1003 H1005 | P1001-Y1003 VanDerWaalsContact C-N 3.31Å; P1001-Y1003 PolarHBondContact O-N 2.87Å; P1001-H1005 WeakPolarHBondContact O-CB 3.41Å; P1001-H1005 PolarHBondContact O-N 3.02Å |
| 1002 | T | 36.1 | Very low | 35.2 | Very low | 87 Ų | 87 | 104.3 Ų | 104.3 | 53% | 0.534 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -67.6 | -28.7 | 179 | 12.9 | 0 | 0 | 0 | 0 | 112.9 | Q999 H1005 T1006 | Q999-T1002 PolarHBondContact O-N 3.27Å; Q999-T1002 PolarHBondContact O-OG1 3.43Å; T1002-H1005 CarbonylContact O-C 3.57Å; T1002-H1005 WeakPolarHBondContact O-CB 3.48Å; T1002-H1005 PolarHBondContact O-N 3.24Å; T1002-T1006 PolarHBondContact O-N 3.47Å; T1002-T1006 PolarHBondContact O-OG1 3.39Å |
| 1003 | Y | 38.5 | Very low | 35.1 | Very low | 107 Ų | 107 | 102.8 Ų | 102.8 | 42% | 0.42 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -76.3 | -41.1 | 178.5 | -135.4 | -75.6 | 0 | 0 | 0 | 113 | L991 Q999 L1000 P1001 H1005 T1006 I1007 | L991-Y1003 HydrophobicContact CD1-CD1 4.13Å; L991-Y1003 HydrophobicContact CD1-CE1 3.44Å; L991-Y1003 VanDerWaalsContact CD1-CE1 3.44Å; L991-Y1003 HydrophobicContact CD2-CE1 4.02Å; L991-Y1003 HydrophobicContact CD2-CE2 4.24Å; L991-Y1003 WeakPolarHBondContact CD2-OH 3.48Å; L991-Y1003 HydrophobicContact CG-CE1 4.39Å; Q999-Y1003 PolarHBondContact O-N 3.41Å; L1000-Y1003 PolarHBondContact O-N 3.34Å; P1001-Y1003 VanDerWaalsContact C-N 3.31Å; P1001-Y1003 PolarHBondContact O-N 2.87Å; Y1003-H1005 PolarHBondContact O-N 2.73Å; Y1003-T1006 WeakPolarHBondContact CA-OG1 3.39Å; Y1003-T1006 PolarHBondContact O-N 3.43Å; Y1003-T1006 VanDerWaalsContact O-N 3.11Å; Y1003-T1006 PolarHBondContact O-OG1 2.83Å; Y1003-I1007 HydrophobicContact CD1-CD1 4.19Å; Y1003-I1007 HydrophobicContact CD1-CG1 4.39Å; Y1003-I1007 PolarHBondContact O-N 3.2Å |
| 1004 | L | 36.3 | Very low | 34.7 | Very low | 86 Ų | 86 | 100 Ų | 100 | 45% | 0.45 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -58.4 | -40.2 | 165.6 | -88.9 | 165 | 0 | 0 | 0 | 110.7 | L1000 T1006 I1007 L1008 | L1000-L1004 PolarHBondContact O-N 3.43Å; L1004-T1006 PolarHBondContact O-N 2.91Å; L1004-I1007 PolarHBondContact O-N 3.46Å; L1004-L1008 WeakPolarHBondContact O-CB 3.47Å; L1004-L1008 PolarHBondContact O-N 3.35Å |
| 1005 | H | 36.7 | Very low | 34.6 | Very low | 77 Ų | 77 | 96.3 Ų | 96.3 | 36% | 0.356 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -64.3 | -22.9 | 176 | -139.6 | -48.4 | 0 | 0 | 0 | 114.1 | P1001 T1002 Y1003 A1009 Q1013 | P1001-H1005 WeakPolarHBondContact O-CB 3.41Å; P1001-H1005 PolarHBondContact O-N 3.02Å; T1002-H1005 CarbonylContact O-C 3.57Å; T1002-H1005 WeakPolarHBondContact O-CB 3.48Å; T1002-H1005 PolarHBondContact O-N 3.24Å; Y1003-H1005 PolarHBondContact O-N 2.73Å; H1005-A1009 VanDerWaalsContact O-CA 3.26Å; H1005-A1009 WeakPolarHBondContact O-CA 3.32Å; H1005-A1009 WeakPolarHBondContact O-CB 3.43Å; H1005-A1009 PolarHBondContact O-N 3.11Å; H1005-Q1013 PolarHBondContact CE1-OE1 2.96Å; H1005-Q1013 PolarHBondContact ND1-OE1 3.02Å |
| 1006 | T | 38.9 | Very low | 34.3 | Very low | 86 Ų | 86 | 95.8 Ų | 95.8 | 53% | 0.528 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -90.1 | -33 | 175.7 | 10.6 | 0 | 0 | 0 | 0 | 113.2 | T1002 Y1003 L1004 L1008 A1009 | T1002-T1006 PolarHBondContact O-N 3.47Å; T1002-T1006 PolarHBondContact O-OG1 3.39Å; Y1003-T1006 WeakPolarHBondContact CA-OG1 3.39Å; Y1003-T1006 PolarHBondContact O-N 3.43Å; Y1003-T1006 VanDerWaalsContact O-N 3.11Å; Y1003-T1006 PolarHBondContact O-OG1 2.83Å; L1004-T1006 PolarHBondContact O-N 2.91Å; T1006-L1008 VanDerWaalsContact C-N 3.28Å; T1006-A1009 PolarHBondContact O-N 2.76Å |
| 1007 | I | 37 | Very low | 34 | Very low | 80 Ų | 80 | 98.2 Ų | 98.2 | 41% | 0.41 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -66 | -35.7 | 170.9 | -66.1 | 170.8 | 0 | 0 | 0 | 110.4 | Y1003 L1004 | Y1003-I1007 HydrophobicContact CD1-CD1 4.19Å; Y1003-I1007 HydrophobicContact CD1-CG1 4.39Å; Y1003-I1007 PolarHBondContact O-N 3.2Å; L1004-I1007 PolarHBondContact O-N 3.46Å |
| 1008 | L | 38 | Very low | 33.7 | Very low | 54 Ų | 54 | 94.2 Ų | 94.2 | 28% | 0.283 | 52% | 0.518 | S | S | . | . | S | Bend | trans | -95.4 | -3.6 | 176.5 | -63.1 | 170.8 | 0 | 0 | 0 | 114.2 | L1004 T1006 P1010 Y1011 I1012 | L1004-L1008 WeakPolarHBondContact O-CB 3.47Å; L1004-L1008 PolarHBondContact O-N 3.35Å; T1006-L1008 VanDerWaalsContact C-N 3.28Å; L1008-P1010 VanDerWaalsContact C-CD 3.45Å; L1008-Y1011 CarbonylContact O-C 3.55Å; L1008-Y1011 WeakPolarHBondContact O-CA 3.28Å; L1008-Y1011 PolarHBondContact O-N 3.22Å; L1008-I1012 HydrophobicContact CB-CD1 3.8Å; L1008-I1012 HydrophobicContact CB-CG1 4.13Å; L1008-I1012 HydrophobicContact CD1-CD1 3.91Å; L1008-I1012 HydrophobicContact CG-CD1 4.28Å; L1008-I1012 PolarHBondContact O-N 2.97Å |
| 1009 | A | 35.4 | Very low | 33.2 | Very low | 35 Ų | 35 | 91.4 Ų | 91.4 | 29% | 0.289 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -51.9 | -44.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | H1005 T1006 Y1011 Q1013 | H1005-A1009 VanDerWaalsContact O-CA 3.26Å; H1005-A1009 WeakPolarHBondContact O-CA 3.32Å; H1005-A1009 WeakPolarHBondContact O-CB 3.43Å; H1005-A1009 PolarHBondContact O-N 3.11Å; T1006-A1009 PolarHBondContact O-N 2.76Å; A1009-Y1011 PolarHBondContact O-N 3.19Å; A1009-Q1013 PolarHBondContact O-N 3.46Å |
| 1010 | P | 38.5 | Very low | 32.7 | Very low | 90 Ų | 90 | 97.2 Ų | 97.2 | 58% | 0.584 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -65.1 | -6.6 | 177.9 | -20.5 | 34.1 | 0 | 0 | 0 | 114.8 | L1008 | L1008-P1010 VanDerWaalsContact C-CD 3.45Å |
| 1011 | Y | 38.9 | Very low | 32.2 | Very low | 96 Ų | 96 | 96.3 Ų | 96.3 | 38% | 0.376 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -128.1 | -8.2 | -170.6 | -57 | -59.7 | 0 | 0 | 0 | 114.2 | K951 Q952 L1008 A1009 | K951-Y1011 HydrophobicContact CD-CD1 4.37Å; K951-Y1011 HydrophobicContact CD-CE1 3.66Å; K951-Y1011 PolarHBondContact NZ-OH 3.49Å; Q952-Y1011 PolarHBondContact NE2-O 2.69Å; L1008-Y1011 CarbonylContact O-C 3.55Å; L1008-Y1011 WeakPolarHBondContact O-CA 3.28Å; L1008-Y1011 PolarHBondContact O-N 3.22Å; A1009-Y1011 PolarHBondContact O-N 3.19Å |
| 1012 | I | 36.2 | Very low | 31.6 | Very low | 44 Ų | 44 | 97.6 Ų | 97.6 | 23% | 0.226 | 54% | 0.538 | C | S | . | . | H | α-helix | trans | -132.4 | -17.8 | -170.8 | -65.9 | -168.3 | 0 | 0 | 0 | 114.6 | F918 L1008 | F918-I1012 HydrophobicContact CE1-CD1 3.87Å; F918-I1012 HydrophobicContact CE1-CG1 4.18Å; F918-I1012 HydrophobicContact CE2-CD1 4.25Å; F918-I1012 HydrophobicContact CZ-CD1 3.65Å; F918-I1012 HydrophobicContact CZ-CG1 4.24Å; L1008-I1012 HydrophobicContact CB-CD1 3.8Å; L1008-I1012 HydrophobicContact CB-CG1 4.13Å; L1008-I1012 HydrophobicContact CD1-CD1 3.91Å; L1008-I1012 HydrophobicContact CG-CD1 4.28Å; L1008-I1012 PolarHBondContact O-N 2.97Å |
| 1013 | Q | 32.1 | Very low | 31 | Very low | 104 Ų | 104 | 98.5 Ų | 98.5 | 49% | 0.486 | 55% | 0.548 | S | S | . | . | trans | -128.2 | 107.2 | -175.3 | -109.7 | 179.4 | -12.1 | 0 | 0 | 115.9 | H1005 A1009 T1015 | H1005-Q1013 PolarHBondContact CE1-OE1 2.96Å; H1005-Q1013 PolarHBondContact ND1-OE1 3.02Å; A1009-Q1013 PolarHBondContact O-N 3.46Å; Q1013-T1015 HydrophobicContact CG-CG2 4.47Å; Q1013-T1015 WeakPolarHBondContact CG-OG1 3.44Å; Q1013-T1015 PolarHBondContact NE2-OG1 3.33Å | ||
| 1014 | G | 27.6 | Very low | 30.3 | Very low | 39 Ų | 39 | 99.6 Ų | 99.6 | 40% | 0.402 | 57% | 0.566 | S | S | . | * | trans | -99.4 | 94.6 | 145 | 0 | 0 | 0 | 0 | 0 | 109.2 | D942 | D942-G1014 WeakPolarHBondContact OD2-CA 3.29Š| ||
| 1015 | T | 27.2 | Very low | 29.8 | Very low | 89 Ų | 89 | 108 Ų | 108 | 55% | 0.546 | 59% | 0.592 | S | S | . | * | trans | -151.2 | 138 | 171.7 | 51.9 | 0 | 0 | 0 | 0 | 110 | Q1013 | Q1013-T1015 HydrophobicContact CG-CG2 4.47Å; Q1013-T1015 WeakPolarHBondContact CG-OG1 3.44Å; Q1013-T1015 PolarHBondContact NE2-OG1 3.33Å | ||
| 1016 | D | 25.5 | Very low | 29.1 | Very low | 115 Ų | 115 | 111 Ų | 111 | 62% | 0.615 | 61% | 0.611 | S | S | * | * | trans | -50.1 | 138.9 | -170.4 | -96.7 | -79.1 | 0 | 0 | 0 | 118 | S1018 | D1016-S1018 VanDerWaalsContact OD1-CB 3.22Å; D1016-S1018 WeakPolarHBondContact OD1-CB 3.47Å; D1016-S1018 PolarHBondContact OD1-OG 3.42Å | ||
| 1017 | I | 25.7 | Very low | 28.5 | Very low | 157 Ų | 157 | 116.6 Ų | 116.6 | 81% | 0.805 | 63% | 0.627 | S | S | * | * | trans | -125.2 | 73.8 | 142.3 | -54.3 | -177.9 | 0 | 0 | 0 | 108.5 | S1019 | I1017-S1019 PolarHBondContact O-N 3.48Š| ||
| 1018 | S | 22.9 | Very low | 27.9 | Very low | 103 Ų | 103 | 118.3 Ų | 118.3 | 72% | 0.72 | 64% | 0.637 | S | S | * | * | trans | -81.3 | 75.5 | 175.7 | 33 | 0 | 0 | 0 | 0 | 112 | D1016 | D1016-S1018 VanDerWaalsContact OD1-CB 3.22Å; D1016-S1018 WeakPolarHBondContact OD1-CB 3.47Å; D1016-S1018 PolarHBondContact OD1-OG 3.42Å | ||
| 1019 | S | 22.6 | Very low | 27.6 | Very low | 99 Ų | 99 | 121.2 Ų | 121.2 | 69% | 0.692 | 66% | 0.66 | S | S | * | * | trans | -127.6 | 147.5 | 167.8 | 75 | 0 | 0 | 0 | 0 | 112.9 | I1017 | I1017-S1019 PolarHBondContact O-N 3.48Š| ||
| 1020 | R | 23.6 | Very low | 27.3 | Very low | 254 Ų | 254 | 123 Ų | 123 | 96% | 0.958 | 67% | 0.667 | S | S | * | * | trans | -77.7 | 124.7 | -165 | -61.8 | 168.3 | 177.6 | 156.9 | -3.2 | 112.4 | ||||
| 1021 | S | 23.2 | Very low | 26.9 | Very low | 119 Ų | 119 | 122.5 Ų | 122.5 | 83% | 0.832 | 67% | 0.665 | S | S | * | * | trans | -150.9 | 149.1 | 144.5 | 60.5 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1022 | T | 23.5 | Very low | 26.7 | Very low | 129 Ų | 129 | 125.3 Ų | 125.3 | 79% | 0.791 | 68% | 0.68 | S | S | * | * | trans | -97 | 154.3 | -178.9 | 44.4 | 0 | 0 | 0 | 0 | 112 | ||||
| 1023 | S | 23.3 | Very low | 26.6 | Very low | 105 Ų | 105 | 126 Ų | 126 | 73% | 0.734 | 68% | 0.683 | S | S | * | * | S | Bend | trans | 80.1 | 158.4 | 171.5 | 82.7 | 0 | 0 | 0 | 0 | 117.6 | ||
| 1024 | T | 24.1 | Very low | 26.7 | Very low | 131 Ų | 131 | 128.3 Ų | 128.3 | 80% | 0.804 | 69% | 0.694 | S | S | * | * | trans | 68.6 | 47 | 174.7 | 67.9 | 0 | 0 | 0 | 0 | 119.2 | N1026 | T1024-N1026 PolarHBondContact O-N 3.27Å; T1024-N1026 VanDerWaalsContact O-N 3.08Å | ||
| 1025 | R | 24.3 | Very low | 27.1 | Very low | 261 Ų | 261 | 134.4 Ų | 134.4 | 99% | 0.985 | 71% | 0.71 | S | S | * | * | trans | -69.3 | 97.9 | 151.6 | -90.9 | -169.2 | 173.4 | -167.9 | -3.5 | 109.1 | ||||
| 1026 | N | 22.9 | Very low | 27.5 | Very low | 141 Ų | 141 | 132.2 Ų | 132.2 | 75% | 0.754 | 70% | 0.695 | S | S | * | * | trans | -147.3 | 61.1 | 175.1 | -149.9 | 13.6 | 0 | 0 | 0 | 112.5 | T1024 | T1024-N1026 PolarHBondContact O-N 3.27Å; T1024-N1026 VanDerWaalsContact O-N 3.08Å | ||
| 1027 | K | 25.6 | Very low | 28.1 | Very low | 203 Ų | 203 | 131.5 Ų | 131.5 | 88% | 0.883 | 69% | 0.69 | S | S | * | * | trans | -139.5 | 86.2 | 170.2 | -77.7 | -169 | 176.2 | -178.1 | 0 | 109.9 | ||||
| 1028 | N | 25.3 | Very low | 29 | Very low | 116 Ų | 116 | 130.9 Ų | 130.9 | 62% | 0.62 | 69% | 0.688 | S | S | * | * | trans | -77.4 | 138.9 | 167.2 | -65.4 | -13.6 | 0 | 0 | 0 | 109.1 | V1030 | N1028-V1030 HydrophobicContact CB-CB 4.16Å; N1028-V1030 HydrophobicContact CB-CG2 4.15Å; N1028-V1030 PolarHBondContact O-N 3.39Å; N1028-V1030 VanDerWaalsContact O-N 3.1Å | ||
| 1029 | P | 31 | Very low | 30.1 | Very low | 115 Ų | 115 | 133.5 Ų | 133.5 | 75% | 0.747 | 69% | 0.687 | S | S | * | * | G | 310 helix | trans | -70.3 | 2.2 | 169.1 | 29.5 | -34.6 | 0 | 0 | 0 | 113.6 | ||
| 1030 | V | 30.1 | Very low | 31.3 | Very low | 74 Ų | 74 | 133.2 Ų | 133.2 | 45% | 0.448 | 67% | 0.674 | S | S | . | * | G | 310 helix | trans | -82.4 | -12.6 | -170.1 | -175.9 | 0 | 0 | 0 | 0 | 113.4 | N1028 F1032 | N1028-V1030 HydrophobicContact CB-CB 4.16Å; N1028-V1030 HydrophobicContact CB-CG2 4.15Å; N1028-V1030 PolarHBondContact O-N 3.39Å; N1028-V1030 VanDerWaalsContact O-N 3.1Å; V1030-F1032 VanDerWaalsContact C-N 3.32Å; V1030-F1032 PolarHBondContact O-N 3.05Å |
| 1031 | S | 28.7 | Very low | 32.3 | Very low | 78 Ų | 78 | 124.5 Ų | 124.5 | 55% | 0.545 | 64% | 0.643 | S | S | . | * | G | 310 helix | trans | -79.9 | 4.2 | -167.2 | 62.1 | 0 | 0 | 0 | 0 | 116.8 | ||
| 1032 | F | 35 | Very low | 33.6 | Very low | 155 Ų | 155 | 120.9 Ų | 120.9 | 68% | 0.68 | 62% | 0.621 | S | S | * | * | G | 310 helix | trans | -96.3 | -32.4 | 179.6 | -135.2 | -92.2 | 0 | 0 | 0 | 113.7 | V1030 Q1034 K1035 | V1030-F1032 VanDerWaalsContact C-N 3.32Å; V1030-F1032 PolarHBondContact O-N 3.05Å; F1032-Q1034 PolarHBondContact O-N 3.15Å; F1032-K1035 PolarHBondContact O-N 2.69Å |
| 1033 | I | 34 | Very low | 34.8 | Very low | 59 Ų | 59 | 120.4 Ų | 120.4 | 30% | 0.303 | 61% | 0.61 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -70 | -12.8 | 176.1 | -66.1 | 173.1 | 0 | 0 | 0 | 111.7 | K1035 K1041 | I1033-K1035 VanDerWaalsContact C-N 3.34Å; I1033-K1041 PolarHBondContact O-NZ 3.33Å |
| 1034 | Q | 35.3 | Very low | 36.1 | Very low | 153 Ų | 153 | 118.3 Ų | 118.3 | 72% | 0.715 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.7 | 1.7 | 168.3 | -68.5 | -175.4 | -21.6 | 0 | 0 | 114 | F1032 | F1032-Q1034 PolarHBondContact O-N 3.15Š|
| 1035 | K | 35.3 | Very low | 37.3 | Very low | 166 Ų | 166 | 114.6 Ų | 114.6 | 72% | 0.722 | 56% | 0.564 | S | S | * | * | S | Bend | trans | -115.4 | -4 | 178.9 | -75.2 | -169.6 | 170.8 | -171.1 | 0 | 115.5 | F1032 I1033 | F1032-K1035 PolarHBondContact O-N 2.69Å; I1033-K1035 VanDerWaalsContact C-N 3.34Å |
| 1036 | L | 36.1 | Very low | 38.7 | Very low | 44 Ų | 44 | 109.4 Ų | 109.4 | 23% | 0.23 | 55% | 0.551 | C | S | . | * | S | Bend | trans | -62.7 | 132.5 | 163.5 | -71.8 | 166.2 | 0 | 0 | 0 | 108.6 | ||
| 1037 | D | 38.3 | Very low | 40.3 | Very low | 99 Ų | 99 | 106.7 Ų | 106.7 | 53% | 0.529 | 54% | 0.537 | S | S | . | . | trans | -66.1 | 150.6 | -175.1 | -168.2 | 16.6 | 0 | 0 | 0 | 110.2 | K1039 E1040 K1041 | D1037-K1039 PolarHBondContact O-N 3.38Å; D1037-E1040 HydrophobicContact CB-CG 4.4Å; D1037-E1040 PolarHBondContact N-OE2 2.76Å; D1037-E1040 PolarHBondContact O-N 3.09Å; D1037-K1041 PolarHBondContact O-N 3.44Å | ||
| 1038 | L | 44.5 | Very low | 41.6 | Very low | 145 Ų | 145 | 97 Ų | 97 | 76% | 0.759 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -58.2 | -27.1 | -174.9 | -83.7 | 169.3 | 0 | 0 | 0 | 112.1 | A1042 | L1038-A1042 WeakPolarHBondContact O-CB 3.34Å; L1038-A1042 PolarHBondContact O-N 3.15Å |
| 1039 | K | 46 | Very low | 42.9 | Very low | 158 Ų | 158 | 94.6 Ų | 94.6 | 69% | 0.687 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -71.2 | -42.7 | 173.1 | -71 | -179.3 | 176.6 | 177.8 | 0 | 113.7 | D1037 A1042 Q1043 | D1037-K1039 PolarHBondContact O-N 3.38Å; K1039-A1042 PolarHBondContact O-N 2.89Å; K1039-Q1043 WeakPolarHBondContact O-CB 3.34Å; K1039-Q1043 WeakPolarHBondContact O-CG 3.45Å; K1039-Q1043 PolarHBondContact O-N 2.95Å |
| 1040 | E | 47.6 | Very low | 44.2 | Very low | 93 Ų | 93 | 92.7 Ų | 92.7 | 44% | 0.435 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -67.3 | -42 | 178.4 | -61.7 | 178.3 | 137.1 | 0 | 0 | 110.2 | D1037 Q1043 I1044 | D1037-E1040 HydrophobicContact CB-CG 4.4Å; D1037-E1040 PolarHBondContact N-OE2 2.76Å; D1037-E1040 PolarHBondContact O-N 3.09Å; E1040-Q1043 PolarHBondContact O-N 2.77Å; E1040-I1044 WeakPolarHBondContact O-CG1 3.39Å; E1040-I1044 PolarHBondContact O-N 2.81Å |
| 1041 | K | 44.4 | Very low | 45.4 | Very low | 71 Ų | 71 | 90.7 Ų | 90.7 | 31% | 0.309 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -61.4 | -43.7 | 173.4 | -122.7 | 170.7 | 174.1 | 171.5 | 0 | 111.8 | I1033 D1037 L1045 | I1033-K1041 PolarHBondContact O-NZ 3.33Å; D1037-K1041 PolarHBondContact O-N 3.44Å; K1041-L1045 VanDerWaalsContact O-CB 3.32Å; K1041-L1045 WeakPolarHBondContact O-CB 3.39Å; K1041-L1045 WeakPolarHBondContact O-CD1 3.33Å; K1041-L1045 VanDerWaalsContact O-CG 3.22Å; K1041-L1045 WeakPolarHBondContact O-CG 3.27Å; K1041-L1045 PolarHBondContact O-N 3.14Å |
| 1042 | A | 50 | Low | 46.6 | Very low | 43 Ų | 43 | 87.7 Ų | 87.7 | 36% | 0.355 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -62.5 | -46.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | L1038 K1039 I1044 L1045 E1046 | L1038-A1042 WeakPolarHBondContact O-CB 3.34Å; L1038-A1042 PolarHBondContact O-N 3.15Å; K1039-A1042 PolarHBondContact O-N 2.89Å; A1042-I1044 PolarHBondContact O-N 3.34Å; A1042-L1045 CarbonylContact O-C 3.56Å; A1042-L1045 PolarHBondContact O-N 2.81Å; A1042-L1045 VanDerWaalsContact O-N 3.14Å; A1042-E1046 WeakPolarHBondContact O-CB 3.42Å; A1042-E1046 WeakPolarHBondContact O-CG 3.16Å; A1042-E1046 PolarHBondContact O-N 2.72Å |
| 1043 | Q | 49.5 | Very low | 47.7 | Very low | 119 Ų | 119 | 85.2 Ų | 85.2 | 56% | 0.556 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -64.3 | -38.5 | 179.5 | -77.1 | -179.2 | -37 | 0 | 0 | 112.8 | K1039 E1040 N1047 | K1039-Q1043 WeakPolarHBondContact O-CB 3.34Å; K1039-Q1043 WeakPolarHBondContact O-CG 3.45Å; K1039-Q1043 PolarHBondContact O-N 2.95Å; E1040-Q1043 PolarHBondContact O-N 2.77Å; Q1043-N1047 WeakPolarHBondContact O-CB 3.14Å; Q1043-N1047 PolarHBondContact O-N 2.79Å; Q1043-N1047 VanDerWaalsContact O-N 3.08Å; Q1043-N1047 PolarHBondContact O-ND2 3.49Å |
| 1044 | I | 50.6 | Low | 48.8 | Very low | 60 Ų | 60 | 88.8 Ų | 88.8 | 31% | 0.308 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -66.4 | -39.9 | 173.3 | -67.7 | 168 | 0 | 0 | 0 | 110.3 | E1040 A1042 L1048 | E1040-I1044 WeakPolarHBondContact O-CG1 3.39Å; E1040-I1044 PolarHBondContact O-N 2.81Å; A1042-I1044 PolarHBondContact O-N 3.34Å; I1044-L1048 HydrophobicContact CG2-CD1 4Å; I1044-L1048 WeakPolarHBondContact O-CB 3.47Å; I1044-L1048 WeakPolarHBondContact O-CD1 3.46Å; I1044-L1048 PolarHBondContact O-N 3.44Å |
| 1045 | L | 48.8 | Very low | 49.8 | Very low | 53 Ų | 53 | 81.9 Ų | 81.9 | 28% | 0.277 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -72.2 | -36.3 | 178.7 | -74 | 166.8 | 0 | 0 | 0 | 114 | K1041 A1042 L1048 P1049 D1130 S1132 | K1041-L1045 VanDerWaalsContact O-CB 3.32Å; K1041-L1045 WeakPolarHBondContact O-CB 3.39Å; K1041-L1045 WeakPolarHBondContact O-CD1 3.33Å; K1041-L1045 VanDerWaalsContact O-CG 3.22Å; K1041-L1045 WeakPolarHBondContact O-CG 3.27Å; K1041-L1045 PolarHBondContact O-N 3.14Å; A1042-L1045 CarbonylContact O-C 3.56Å; A1042-L1045 PolarHBondContact O-N 2.81Å; A1042-L1045 VanDerWaalsContact O-N 3.14Å; L1045-L1048 WeakPolarHBondContact O-CB 3.5Å; L1045-L1048 PolarHBondContact O-N 3.09Å; L1045-P1049 VanDerWaalsContact O-CD 3.31Å; L1045-P1049 WeakPolarHBondContact O-CD 3.25Å; L1045-D1130 HydrophobicContact CD2-CB 4.39Å; L1045-S1132 WeakPolarHBondContact CD2-OG 3.29Å |
| 1046 | E | 54.3 | Low | 50.8 | Low | 152 Ų | 152 | 78.7 Ų | 78.7 | 71% | 0.71 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -69.4 | -40.7 | 174.4 | -77.7 | -172.2 | 127.1 | 0 | 0 | 111.8 | A1042 L1048 P1049 | A1042-E1046 WeakPolarHBondContact O-CB 3.42Å; A1042-E1046 WeakPolarHBondContact O-CG 3.16Å; A1042-E1046 PolarHBondContact O-N 2.72Å; E1046-L1048 VanDerWaalsContact C-N 3.27Å; E1046-L1048 PolarHBondContact O-N 2.79Å; E1046-P1049 WeakPolarHBondContact O-CD 3.27Å |
| 1047 | N | 56 | Low | 51.7 | Low | 85 Ų | 85 | 80.9 Ų | 80.9 | 46% | 0.455 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -75.2 | -16.7 | 174.5 | -73.9 | -72.7 | 0 | 0 | 0 | 112.5 | Q1043 V1050 L1051 | Q1043-N1047 WeakPolarHBondContact O-CB 3.14Å; Q1043-N1047 PolarHBondContact O-N 2.79Å; Q1043-N1047 VanDerWaalsContact O-N 3.08Å; Q1043-N1047 PolarHBondContact O-ND2 3.49Å; N1047-V1050 CarbonylContact O-C 3.5Å; N1047-V1050 WeakPolarHBondContact O-CB 3.27Å; N1047-V1050 PolarHBondContact O-N 2.88Å; N1047-V1050 VanDerWaalsContact O-N 3.1Å; N1047-L1051 HydrophobicContact CB-CD1 4.31Å; N1047-L1051 WeakPolarHBondContact O-CB 3.17Å; N1047-L1051 PolarHBondContact O-N 2.97Å |
| 1048 | L | 53 | Low | 52.7 | Low | 0 Ų | 0 | 79.4 Ų | 79.4 | 0% | 0 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -60 | -44.2 | -173 | -140.3 | 85.6 | 0 | 0 | 0 | 114.3 | I1044 L1045 E1046 V1050 L1051 T1052 M1133 F1136 | I1044-L1048 HydrophobicContact CG2-CD1 4Å; I1044-L1048 WeakPolarHBondContact O-CB 3.47Å; I1044-L1048 WeakPolarHBondContact O-CD1 3.46Å; I1044-L1048 PolarHBondContact O-N 3.44Å; L1045-L1048 WeakPolarHBondContact O-CB 3.5Å; L1045-L1048 PolarHBondContact O-N 3.09Å; E1046-L1048 VanDerWaalsContact C-N 3.27Å; E1046-L1048 PolarHBondContact O-N 2.79Å; L1048-V1050 VanDerWaalsContact C-N 3.3Å; L1048-V1050 PolarHBondContact O-N 2.94Å; L1048-L1051 CarbonylContact O-C 3.52Å; L1048-L1051 WeakPolarHBondContact O-CB 3.4Å; L1048-L1051 PolarHBondContact O-N 3.31Å; L1048-T1052 WeakPolarHBondContact O-CB 3.25Å; L1048-T1052 PolarHBondContact O-N 3.47Å; L1048-T1052 PolarHBondContact O-OG1 2.86Å; L1048-M1133 HydrophobicContact CD1-CE 3.84Å; L1048-M1133 HydrophobicContact CD1-SD 4.41Å; L1048-M1133 HydrophobicContact CD2-CB 4.2Å; L1048-M1133 HydrophobicContact CD2-CE 4.26Å; L1048-M1133 HydrophobicContact CD2-CG 3.64Å; L1048-M1133 HydrophobicContact CD2-SD 3.86Å; L1048-F1136 HydrophobicContact CD2-CB 3.95Å; L1048-F1136 HydrophobicContact CD2-CG 4.43Å; L1048-F1136 HydrophobicContact CG-CB 4.48Å; L1048-F1136 HydrophobicContact CG-CD2 4.17Å |
| 1049 | P | 52.4 | Low | 53.4 | Low | 64 Ų | 64 | 73 Ų | 73 | 42% | 0.416 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -65.2 | -33.1 | 175.5 | -23 | 35.1 | 0 | 0 | 0 | 112.8 | L1045 E1046 T1052 N1053 | L1045-P1049 VanDerWaalsContact O-CD 3.31Å; L1045-P1049 WeakPolarHBondContact O-CD 3.25Å; E1046-P1049 WeakPolarHBondContact O-CD 3.27Å; P1049-T1052 PolarHBondContact O-N 3.21Å; P1049-N1053 PolarHBondContact O-N 2.87Å |
| 1050 | V | 58.7 | Low | 53.9 | Low | 75 Ų | 75 | 68.2 Ų | 68.2 | 46% | 0.455 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -69.6 | -40.7 | 174.8 | -176 | 0 | 0 | 0 | 0 | 110.3 | N1047 L1048 K1054 | N1047-V1050 CarbonylContact O-C 3.5Å; N1047-V1050 WeakPolarHBondContact O-CB 3.27Å; N1047-V1050 PolarHBondContact O-N 2.88Å; N1047-V1050 VanDerWaalsContact O-N 3.1Å; L1048-V1050 VanDerWaalsContact C-N 3.3Å; L1048-V1050 PolarHBondContact O-N 2.94Å; V1050-K1054 HydrophobicContact CG1-CD 4.39Å; V1050-K1054 WeakPolarHBondContact O-CB 3.36Å; V1050-K1054 VanDerWaalsContact O-CG 3.26Å; V1050-K1054 WeakPolarHBondContact O-CG 3.38Å; V1050-K1054 PolarHBondContact O-N 3.36Å |
| 1051 | L | 54.9 | Low | 54.4 | Low | 32 Ų | 32 | 67.3 Ų | 67.3 | 17% | 0.168 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -65.7 | -36.9 | 171 | -92.4 | 157.1 | 0 | 0 | 0 | 112.3 | N1047 L1048 K1054 L1055 W1082 F1136 | N1047-L1051 HydrophobicContact CB-CD1 4.31Å; N1047-L1051 WeakPolarHBondContact O-CB 3.17Å; N1047-L1051 PolarHBondContact O-N 2.97Å; L1048-L1051 CarbonylContact O-C 3.52Å; L1048-L1051 WeakPolarHBondContact O-CB 3.4Å; L1048-L1051 PolarHBondContact O-N 3.31Å; L1051-K1054 PolarHBondContact O-N 2.94Å; L1051-L1055 WeakPolarHBondContact O-CB 3.49Å; L1051-L1055 PolarHBondContact O-N 3.04Å; L1051-W1082 HydrophobicContact CD2-CH2 3.96Å; L1051-W1082 HydrophobicContact CD2-CZ2 3.69Å; L1051-F1136 HydrophobicContact CB-CE2 4.2Å |
| 1052 | T | 54.6 | Low | 54.9 | Low | 16 Ų | 16 | 64 Ų | 64 | 10% | 0.098 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -64.6 | -53.3 | 176.7 | -52.8 | 0 | 0 | 0 | 0 | 110 | L1048 P1049 K1054 L1055 R1056 F1136 A1139 | L1048-T1052 WeakPolarHBondContact O-CB 3.25Å; L1048-T1052 PolarHBondContact O-N 3.47Å; L1048-T1052 PolarHBondContact O-OG1 2.86Å; P1049-T1052 PolarHBondContact O-N 3.21Å; T1052-K1054 VanDerWaalsContact C-N 3.33Å; T1052-K1054 PolarHBondContact O-N 3.12Å; T1052-L1055 PolarHBondContact O-N 2.73Å; T1052-R1056 VanDerWaalsContact O-CB 3.26Å; T1052-R1056 WeakPolarHBondContact O-CB 3.46Å; T1052-R1056 PolarHBondContact O-N 2.75Å; T1052-F1136 WeakPolarHBondContact OG1-CD2 3.44Å; T1052-A1139 HydrophobicContact CG2-CB 3.46Å; T1052-A1139 VanDerWaalsContact CG2-CB 3.46Å |
| 1053 | N | 57.4 | Low | 54.9 | Low | 102 Ų | 102 | 62.9 Ų | 62.9 | 55% | 0.545 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -65.5 | -36.3 | 177.1 | -80.8 | -9.5 | 0 | 0 | 0 | 111.4 | P1049 L1057 | P1049-N1053 PolarHBondContact O-N 2.87Å; N1053-L1057 WeakPolarHBondContact O-CB 3.16Å; N1053-L1057 WeakPolarHBondContact O-CD1 3.11Å; N1053-L1057 WeakPolarHBondContact O-CG 3.13Å; N1053-L1057 PolarHBondContact O-N 3.4Å |
| 1054 | K | 57.3 | Low | 54.9 | Low | 135 Ų | 135 | 60.8 Ų | 60.8 | 59% | 0.587 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -62.5 | -50.1 | 172 | -82.8 | -179.2 | 176.4 | -176.2 | 0 | 112 | V1050 L1051 T1052 L1057 F1058 | V1050-K1054 HydrophobicContact CG1-CD 4.39Å; V1050-K1054 WeakPolarHBondContact O-CB 3.36Å; V1050-K1054 VanDerWaalsContact O-CG 3.26Å; V1050-K1054 WeakPolarHBondContact O-CG 3.38Å; V1050-K1054 PolarHBondContact O-N 3.36Å; L1051-K1054 PolarHBondContact O-N 2.94Å; T1052-K1054 VanDerWaalsContact C-N 3.33Å; T1052-K1054 PolarHBondContact O-N 3.12Å; K1054-L1057 CarbonylContact O-C 3.3Å; K1054-L1057 PolarHBondContact O-N 3.43Å; K1054-F1058 WeakPolarHBondContact O-CA 3.39Å; K1054-F1058 WeakPolarHBondContact O-CB 3.5Å; K1054-F1058 PolarHBondContact O-N 3.36Å |
| 1055 | L | 55.7 | Low | 54.9 | Low | 7 Ų | 7 | 61 Ų | 61 | 4% | 0.037 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -66.6 | -40.8 | -179.5 | -101 | 160.6 | 0 | 0 | 0 | 112.6 | L1051 T1052 F1058 L1059 F1079 W1082 F1136 L1140 | L1051-L1055 WeakPolarHBondContact O-CB 3.49Å; L1051-L1055 PolarHBondContact O-N 3.04Å; T1052-L1055 PolarHBondContact O-N 2.73Å; L1055-F1058 PolarHBondContact O-N 2.84Å; L1055-L1059 WeakPolarHBondContact O-CG 3.43Å; L1055-L1059 PolarHBondContact O-N 2.92Å; L1055-F1079 HydrophobicContact CD2-CE2 4.18Å; L1055-W1082 HydrophobicContact CD1-CH2 3.87Å; L1055-W1082 HydrophobicContact CD1-CZ3 4.21Å; L1055-W1082 HydrophobicContact CD2-CH2 4.27Å; L1055-W1082 HydrophobicContact CD2-CZ3 4.04Å; L1055-W1082 HydrophobicContact CG-CH2 3.76Å; L1055-W1082 HydrophobicContact CG-CZ3 4.05Å; L1055-F1136 HydrophobicContact CD1-CE1 4.48Å; L1055-F1136 HydrophobicContact CD1-CE2 3.78Å; L1055-F1136 HydrophobicContact CD1-CZ 3.42Å; L1055-F1136 VanDerWaalsContact CD1-CZ 3.42Å; L1055-L1140 HydrophobicContact CD1-CD1 4.37Å |
| 1056 | R | 56.6 | Low | 54.9 | Low | 100 Ų | 100 | 59 Ų | 59 | 38% | 0.377 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -61.8 | -51.7 | 174 | -177.9 | 179.2 | 170.7 | 149.7 | 10.5 | 111 | T1052 F1058 L1059 E1060 | T1052-R1056 VanDerWaalsContact O-CB 3.26Å; T1052-R1056 WeakPolarHBondContact O-CB 3.46Å; T1052-R1056 PolarHBondContact O-N 2.75Å; R1056-F1058 PolarHBondContact O-N 2.86Å; R1056-L1059 PolarHBondContact O-N 3.34Å; R1056-E1060 HydrophobicContact CG-CG 4.42Å; R1056-E1060 IonicContact CZ-OE1 3.45Å; R1056-E1060 VanDerWaalsContact CZ-OE1 3.28Å; R1056-E1060 IonicContact NE-OE1 3.53Å; R1056-E1060 PolarHBondContact NE-OE1 2.86Å; R1056-E1060 IonicContact NE-OE2 3.67Å; R1056-E1060 IonicContact NH2-OE1 2.75Å; R1056-E1060 PolarHBondContact NH2-OE1 2.89Å; R1056-E1060 WeakPolarHBondContact O-CB 3.36Å; R1056-E1060 WeakPolarHBondContact O-CG 3.47Å; R1056-E1060 PolarHBondContact O-N 3.33Å |
| 1057 | L | 55.8 | Low | 54.4 | Low | 90 Ų | 90 | 53.8 Ų | 53.8 | 47% | 0.471 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -66.3 | -22.9 | 175.2 | -69.2 | 169 | 0 | 0 | 0 | 112.5 | N1053 K1054 N1061 | N1053-L1057 WeakPolarHBondContact O-CB 3.16Å; N1053-L1057 WeakPolarHBondContact O-CD1 3.11Å; N1053-L1057 WeakPolarHBondContact O-CG 3.13Å; N1053-L1057 PolarHBondContact O-N 3.4Å; K1054-L1057 CarbonylContact O-C 3.3Å; K1054-L1057 PolarHBondContact O-N 3.43Å; L1057-N1061 WeakPolarHBondContact O-CA 3.24Å; L1057-N1061 WeakPolarHBondContact O-CB 3.46Å; L1057-N1061 VanDerWaalsContact O-CG 3.22Å; L1057-N1061 PolarHBondContact O-N 2.92Å; L1057-N1061 PolarHBondContact O-ND2 3.32Å |
| 1058 | F | 58.3 | Low | 53.8 | Low | 67 Ų | 67 | 56.2 Ų | 56.2 | 29% | 0.294 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -79.1 | -35.5 | 176.7 | -172.8 | -89 | 0 | 0 | 0 | 111.3 | K1054 L1055 R1056 S1062 W1075 F1079 | K1054-F1058 WeakPolarHBondContact O-CA 3.39Å; K1054-F1058 WeakPolarHBondContact O-CB 3.5Å; K1054-F1058 PolarHBondContact O-N 3.36Å; L1055-F1058 PolarHBondContact O-N 2.84Å; R1056-F1058 PolarHBondContact O-N 2.86Å; F1058-S1062 WeakPolarHBondContact O-CA 3.46Å; F1058-S1062 VanDerWaalsContact O-CB 3.23Å; F1058-S1062 WeakPolarHBondContact O-CB 3.43Å; F1058-S1062 PolarHBondContact O-N 3.35Å; F1058-W1075 HydrophobicContact CD1-CZ2 4.26Å; F1058-W1075 AromaticContact CE1-CE2 3.83Å; F1058-W1075 HydrophobicContact CE1-CH2 4.4Å; F1058-W1075 AromaticContact CE1-CZ2 3.43Å; F1058-W1075 HydrophobicContact CE1-CZ2 3.43Å; F1058-W1075 VanDerWaalsContact CE1-CZ2 3.43Å; F1058-W1075 AromaticContact CE1-NE1 3.84Å; F1058-W1075 AromaticContact CZ-CE2 3.85Å; F1058-W1075 AromaticContact CZ-CZ2 3.95Å; F1058-W1075 HydrophobicContact CZ-CZ2 3.95Å; F1058-W1075 AromaticContact CZ-NE1 3.41Å; F1058-F1079 HydrophobicContact CD1-CD2 4.1Å; F1058-F1079 HydrophobicContact CD1-CE2 4.25Å; F1058-F1079 HydrophobicContact CE1-CB 4.34Å; F1058-F1079 AromaticContact CE1-CD2 3.33Å; F1058-F1079 HydrophobicContact CE1-CD2 3.33Å; F1058-F1079 AromaticContact CE1-CE2 3.92Å; F1058-F1079 HydrophobicContact CE1-CE2 3.92Å; F1058-F1079 HydrophobicContact CE1-CG 4.07Å; F1058-F1079 HydrophobicContact CZ-CB 4.33Å; F1058-F1079 AromaticContact CZ-CD2 3.9Å; F1058-F1079 HydrophobicContact CZ-CD2 3.9Å |
| 1059 | L | 58.6 | Low | 53.2 | Low | 12 Ų | 12 | 59.6 Ų | 59.6 | 6% | 0.063 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -72.6 | -41.7 | 169.6 | -69.4 | 170.5 | 0 | 0 | 0 | 111.5 | L1055 R1056 S1062 C1147 F1162 | L1055-L1059 WeakPolarHBondContact O-CG 3.43Å; L1055-L1059 PolarHBondContact O-N 2.92Å; R1056-L1059 PolarHBondContact O-N 3.34Å; L1059-S1062 PolarHBondContact O-N 3.2Å; L1059-S1062 PolarHBondContact O-OG 2.94Å; L1059-C1147 PolarHBondContact O-SG 2.92Å; L1059-F1162 HydrophobicContact CD2-CZ 4.01Å |
| 1060 | E | 58 | Low | 53 | Low | 57 Ų | 57 | 63.7 Ų | 63.7 | 27% | 0.266 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -68.3 | -35.2 | 175.6 | -70.5 | 171.8 | 168.6 | 0 | 0 | 111.7 | R1056 | R1056-E1060 HydrophobicContact CG-CG 4.42Å; R1056-E1060 IonicContact CZ-OE1 3.45Å; R1056-E1060 VanDerWaalsContact CZ-OE1 3.28Å; R1056-E1060 IonicContact NE-OE1 3.53Å; R1056-E1060 PolarHBondContact NE-OE1 2.86Å; R1056-E1060 IonicContact NE-OE2 3.67Å; R1056-E1060 IonicContact NH2-OE1 2.75Å; R1056-E1060 PolarHBondContact NH2-OE1 2.89Å; R1056-E1060 WeakPolarHBondContact O-CB 3.36Å; R1056-E1060 WeakPolarHBondContact O-CG 3.47Å; R1056-E1060 PolarHBondContact O-N 3.33Å |
| 1061 | N | 56.8 | Low | 53 | Low | 73 Ų | 73 | 63.9 Ų | 63.9 | 39% | 0.39 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -88.9 | -11 | 173.2 | -67.8 | -60.2 | 0 | 0 | 0 | 114.5 | L1057 L1063 T1064 I1065 | L1057-N1061 WeakPolarHBondContact O-CA 3.24Å; L1057-N1061 WeakPolarHBondContact O-CB 3.46Å; L1057-N1061 VanDerWaalsContact O-CG 3.22Å; L1057-N1061 PolarHBondContact O-N 2.92Å; L1057-N1061 PolarHBondContact O-ND2 3.32Å; N1061-L1063 PolarHBondContact O-N 2.94Å; N1061-T1064 WeakPolarHBondContact CA-OG1 3.3Å; N1061-T1064 PolarHBondContact O-N 3.14Å; N1061-T1064 PolarHBondContact O-OG1 3.15Å; N1061-T1064 PolarHBondContact OD1-OG1 2.87Å; N1061-I1065 WeakPolarHBondContact O-CG1 3.49Å; N1061-I1065 PolarHBondContact O-N 3.02Å |
| 1062 | S | 55.1 | Low | 53.3 | Low | 1 Ų | 1 | 62.5 Ų | 62.5 | 1% | 0.007 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -63.2 | -29 | 170.4 | 70.5 | 0 | 0 | 0 | 0 | 110.2 | F1058 L1059 T1064 I1065 C1066 | F1058-S1062 WeakPolarHBondContact O-CA 3.46Å; F1058-S1062 VanDerWaalsContact O-CB 3.23Å; F1058-S1062 WeakPolarHBondContact O-CB 3.43Å; F1058-S1062 PolarHBondContact O-N 3.35Å; L1059-S1062 PolarHBondContact O-N 3.2Å; L1059-S1062 PolarHBondContact O-OG 2.94Å; S1062-T1064 VanDerWaalsContact C-N 3.31Å; S1062-T1064 PolarHBondContact O-N 2.87Å; S1062-I1065 PolarHBondContact O-N 2.91Å; S1062-C1066 WeakPolarHBondContact O-CB 3.49Å; S1062-C1066 PolarHBondContact O-N 3.22Å; S1062-C1066 PolarHBondContact O-SG 3.46Å |
| 1063 | L | 51.2 | Low | 53.8 | Low | 21 Ų | 21 | 66.2 Ų | 66.2 | 11% | 0.11 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -61.2 | -32.5 | 169.2 | -65 | 165.3 | 0 | 0 | 0 | 113.3 | N1061 C1067 H1150 L1159 | N1061-L1063 PolarHBondContact O-N 2.94Å; L1063-C1067 PolarHBondContact O-SG 2.88Å; L1063-H1150 HydrophobicContact CD2-CB 4.2Å; L1063-L1159 HydrophobicContact CD2-CD1 3.75Å; L1063-L1159 HydrophobicContact CD2-CD2 4.44Å |
| 1064 | T | 49.6 | Very low | 54.2 | Low | 74 Ų | 74 | 63.9 Ų | 63.9 | 45% | 0.454 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -92.5 | -25.5 | 178.2 | 53.4 | 0 | 0 | 0 | 0 | 113.1 | N1061 S1062 N1068 | N1061-T1064 WeakPolarHBondContact CA-OG1 3.3Å; N1061-T1064 PolarHBondContact O-N 3.14Å; N1061-T1064 PolarHBondContact O-OG1 3.15Å; N1061-T1064 PolarHBondContact OD1-OG1 2.87Å; S1062-T1064 VanDerWaalsContact C-N 3.31Å; S1062-T1064 PolarHBondContact O-N 2.87Å; T1064-N1068 PolarHBondContact O-ND2 3.47Å |
| 1065 | I | 49.7 | Very low | 54.8 | Low | 64 Ų | 64 | 58.7 Ų | 58.7 | 33% | 0.328 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -79 | -45.8 | 176 | -65.5 | 167.9 | 0 | 0 | 0 | 111 | N1061 S1062 C1067 N1068 T1069 | N1061-I1065 WeakPolarHBondContact O-CG1 3.49Å; N1061-I1065 PolarHBondContact O-N 3.02Å; S1062-I1065 PolarHBondContact O-N 2.91Å; I1065-C1067 PolarHBondContact O-N 3.09Å; I1065-N1068 PolarHBondContact O-N 3.28Å; I1065-T1069 HydrophobicContact CG2-CG2 4.19Å; I1065-T1069 PolarHBondContact O-N 3.1Å; I1065-T1069 PolarHBondContact O-OG1 3.34Å |
| 1066 | C | 48.8 | Very low | 55.4 | Low | 11 Ų | 11 | 58.4 Ų | 58.4 | 7% | 0.074 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -8.7 | 176.2 | -61.2 | 0 | 0 | 0 | 0 | 113.7 | S1062 | S1062-C1066 WeakPolarHBondContact O-CB 3.49Å; S1062-C1066 PolarHBondContact O-N 3.22Å; S1062-C1066 PolarHBondContact O-SG 3.46Å |
| 1067 | C | 44.3 | Very low | 56.2 | Low | 44 Ų | 44 | 54.4 Ų | 54.4 | 30% | 0.297 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90 | -12.2 | 170.1 | -71.7 | 0 | 0 | 0 | 0 | 113.7 | L1063 I1065 H1156 | L1063-C1067 PolarHBondContact O-SG 2.88Å; I1065-C1067 PolarHBondContact O-N 3.09Å; C1067-H1156 PolarHBondContact O-CE1 3.4Å |
| 1068 | N | 42.9 | Very low | 56.9 | Low | 136 Ų | 136 | 54.3 Ų | 54.3 | 73% | 0.727 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -128.8 | -16.6 | -167.4 | -75.3 | -54.5 | 0 | 0 | 0 | 115.7 | T1064 I1065 | T1064-N1068 PolarHBondContact O-ND2 3.47Å; I1065-N1068 PolarHBondContact O-N 3.28Å |
| 1069 | T | 41.5 | Very low | 57.5 | Low | 71 Ų | 71 | 52 Ų | 52 | 44% | 0.436 | 29% | 0.288 | S | S | . | . | trans | -115.7 | 125.5 | -178.6 | 56.1 | 0 | 0 | 0 | 0 | 112.4 | I1065 N1071 | I1065-T1069 HydrophobicContact CG2-CG2 4.19Å; I1065-T1069 PolarHBondContact O-N 3.1Å; I1065-T1069 PolarHBondContact O-OG1 3.34Å; T1069-N1071 PolarHBondContact O-N 3.45Å | ||
| 1070 | T | 48.5 | Very low | 58.1 | Low | 149 Ų | 149 | 51.4 Ų | 51.4 | 91% | 0.914 | 29% | 0.285 | S | S | * | . | S | Bend | trans | -76.6 | 28.3 | -170.7 | 49.4 | 0 | 0 | 0 | 0 | 115.7 | ||
| 1071 | N | 58.3 | Low | 58.8 | Low | 79 Ų | 79 | 49.5 Ų | 49.5 | 42% | 0.422 | 28% | 0.277 | S | S | . | . | trans | -159.9 | 73.7 | -177.8 | -151 | -11.3 | 0 | 0 | 0 | 114.4 | T1069 Q1073 S1074 | T1069-N1071 PolarHBondContact O-N 3.45Å; N1071-Q1073 PolarHBondContact O-N 2.58Å; N1071-Q1073 WeakPolarHBondContact OD1-CB 3.44Å; N1071-S1074 PolarHBondContact O-N 3.2Å; N1071-S1074 PolarHBondContact O-OG 3.41Å | ||
| 1072 | F | 61.6 | Low | 59.7 | Low | 3 Ų | 3 | 50 Ų | 50 | 1% | 0.013 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -52.8 | -25.3 | 172.3 | 177.9 | -102.2 | 0 | 0 | 0 | 113.9 | S1074 W1075 L1076 Y1105 E1158 R1161 F1162 I1165 | F1072-S1074 PolarHBondContact O-N 3.36Å; F1072-W1075 AromaticContact CD2-CE3 3.75Å; F1072-W1075 HydrophobicContact CD2-CE3 3.75Å; F1072-W1075 HydrophobicContact CD2-CZ3 4.21Å; F1072-W1075 AromaticContact CE2-CE3 3.45Å; F1072-W1075 HydrophobicContact CE2-CE3 3.45Å; F1072-W1075 VanDerWaalsContact CE2-CE3 3.45Å; F1072-W1075 AromaticContact CE2-CZ3 3.44Å; F1072-W1075 HydrophobicContact CE2-CZ3 3.44Å; F1072-W1075 VanDerWaalsContact CE2-CZ3 3.44Å; F1072-W1075 HydrophobicContact CZ-CE3 4.21Å; F1072-W1075 HydrophobicContact CZ-CZ3 4.04Å; F1072-W1075 PolarHBondContact O-N 3.36Å; F1072-L1076 HydrophobicContact CE1-CB 4.48Å; F1072-L1076 HydrophobicContact CE1-CD1 4.34Å; F1072-L1076 HydrophobicContact CZ-CD1 4.09Å; F1072-L1076 PolarHBondContact O-N 3.49Å; F1072-Y1105 WeakPolarHBondContact CE1-OH 3.13Å; F1072-E1158 HydrophobicContact CB-CB 4.18Å; F1072-E1158 HydrophobicContact CB-CG 4.36Å; F1072-E1158 VanDerWaalsContact CB-OE1 3.28Å; F1072-E1158 WeakPolarHBondContact CB-OE1 3.34Å; F1072-E1158 VanDerWaalsContact CB-OE2 3.28Å; F1072-E1158 WeakPolarHBondContact CB-OE2 3.36Å; F1072-E1158 PolarHBondContact N-OE2 3.17Å; F1072-E1158 VanDerWaalsContact N-OE2 3.11Å; F1072-R1161 HydrophobicContact CE1-CG 4.42Å; F1072-F1162 HydrophobicContact CE2-CB 3.75Å; F1072-F1162 HydrophobicContact CE2-CD2 4.03Å; F1072-F1162 HydrophobicContact CE2-CG 4.15Å; F1072-F1162 HydrophobicContact CZ-CB 3.82Å; F1072-F1162 AromaticContact CZ-CD2 4Å; F1072-F1162 HydrophobicContact CZ-CD2 4Å; F1072-F1162 HydrophobicContact CZ-CG 4.33Å; F1072-I1165 HydrophobicContact CE1-CD1 4.09Å; F1072-I1165 HydrophobicContact CZ-CD1 4.04Å |
| 1073 | Q | 65 | Low | 60.4 | Low | 94 Ų | 94 | 50.2 Ų | 50.2 | 44% | 0.439 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -62 | -43.6 | 180 | -58.9 | -167.3 | -32.8 | 0 | 0 | 113 | N1071 I1077 Y1105 | N1071-Q1073 PolarHBondContact O-N 2.58Å; N1071-Q1073 WeakPolarHBondContact OD1-CB 3.44Å; Q1073-I1077 VanDerWaalsContact O-CD1 3.29Å; Q1073-I1077 WeakPolarHBondContact O-CD1 3.18Å; Q1073-I1077 VanDerWaalsContact O-CG1 3.29Å; Q1073-I1077 WeakPolarHBondContact O-CG1 3.26Å; Q1073-I1077 PolarHBondContact O-N 2.98Å; Q1073-Y1105 HydrophobicContact CB-CD2 3.74Å; Q1073-Y1105 HydrophobicContact CB-CE2 3.94Å; Q1073-Y1105 HydrophobicContact CB-CG 4.5Å; Q1073-Y1105 HydrophobicContact CG-CD2 3.74Å; Q1073-Y1105 HydrophobicContact CG-CE2 3.78Å; Q1073-Y1105 HydrophobicContact CG-CG 4.18Å |
| 1074 | S | 65.5 | Low | 61.4 | Low | 54 Ų | 54 | 50 Ų | 50 | 38% | 0.378 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -68 | -43.9 | 176.8 | 62.3 | 0 | 0 | 0 | 0 | 110.7 | N1071 F1072 L1076 I1077 D1078 | N1071-S1074 PolarHBondContact O-N 3.2Å; N1071-S1074 PolarHBondContact O-OG 3.41Å; F1072-S1074 PolarHBondContact O-N 3.36Å; S1074-L1076 VanDerWaalsContact C-N 3.34Å; S1074-L1076 PolarHBondContact O-N 3.45Å; S1074-I1077 PolarHBondContact O-N 3.02Å; S1074-I1077 VanDerWaalsContact O-N 3.13Å; S1074-D1078 WeakPolarHBondContact O-CB 3.23Å; S1074-D1078 PolarHBondContact O-N 2.87Å |
| 1075 | W | 68.4 | Low | 62.3 | Low | 25 Ų | 25 | 52.1 Ų | 52.1 | 10% | 0.095 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -57.1 | -42.2 | 178.8 | 177.5 | 88.5 | 0 | 0 | 0 | 113.2 | F1058 F1072 F1079 F1162 | F1058-W1075 HydrophobicContact CD1-CZ2 4.26Å; F1058-W1075 AromaticContact CE1-CE2 3.83Å; F1058-W1075 HydrophobicContact CE1-CH2 4.4Å; F1058-W1075 AromaticContact CE1-CZ2 3.43Å; F1058-W1075 HydrophobicContact CE1-CZ2 3.43Å; F1058-W1075 VanDerWaalsContact CE1-CZ2 3.43Å; F1058-W1075 AromaticContact CE1-NE1 3.84Å; F1058-W1075 AromaticContact CZ-CE2 3.85Å; F1058-W1075 AromaticContact CZ-CZ2 3.95Å; F1058-W1075 HydrophobicContact CZ-CZ2 3.95Å; F1058-W1075 AromaticContact CZ-NE1 3.41Å; F1072-W1075 AromaticContact CD2-CE3 3.75Å; F1072-W1075 HydrophobicContact CD2-CE3 3.75Å; F1072-W1075 HydrophobicContact CD2-CZ3 4.21Å; F1072-W1075 AromaticContact CE2-CE3 3.45Å; F1072-W1075 HydrophobicContact CE2-CE3 3.45Å; F1072-W1075 VanDerWaalsContact CE2-CE3 3.45Å; F1072-W1075 AromaticContact CE2-CZ3 3.44Å; F1072-W1075 HydrophobicContact CE2-CZ3 3.44Å; F1072-W1075 VanDerWaalsContact CE2-CZ3 3.44Å; F1072-W1075 HydrophobicContact CZ-CE3 4.21Å; F1072-W1075 HydrophobicContact CZ-CZ3 4.04Å; F1072-W1075 PolarHBondContact O-N 3.36Å; W1075-F1079 VanDerWaalsContact O-CB 3.22Å; W1075-F1079 WeakPolarHBondContact O-CB 3.1Å; W1075-F1079 PolarHBondContact O-N 2.79Å; W1075-F1162 HydrophobicContact CH2-CD2 4.03Å; W1075-F1162 AromaticContact CH2-CE2 3.58Å; W1075-F1162 HydrophobicContact CH2-CE2 3.58Å; W1075-F1162 AromaticContact CH2-CZ 3.95Å; W1075-F1162 HydrophobicContact CH2-CZ 3.95Å; W1075-F1162 AromaticContact CZ3-CD2 3.9Å; W1075-F1162 HydrophobicContact CZ3-CD2 3.9Å; W1075-F1162 AromaticContact CZ3-CE2 3.87Å; W1075-F1162 HydrophobicContact CZ3-CE2 3.87Å |
| 1076 | L | 69.9 | Low | 63 | Low | 1 Ų | 1 | 50.5 Ų | 50.5 | 1% | 0.005 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -64.3 | -41.5 | 177.9 | -171.2 | 81.6 | 0 | 0 | 0 | 111.7 | F1072 S1074 L1080 Y1105 T1108 E1109 I1165 | F1072-L1076 HydrophobicContact CE1-CB 4.48Å; F1072-L1076 HydrophobicContact CE1-CD1 4.34Å; F1072-L1076 HydrophobicContact CZ-CD1 4.09Å; F1072-L1076 PolarHBondContact O-N 3.49Å; S1074-L1076 VanDerWaalsContact C-N 3.34Å; S1074-L1076 PolarHBondContact O-N 3.45Å; L1076-L1080 HydrophobicContact CG-CD1 4.35Å; L1076-L1080 WeakPolarHBondContact O-CG 3.36Å; L1076-L1080 PolarHBondContact O-N 3.16Å; L1076-L1080 VanDerWaalsContact O-N 3.07Å; L1076-Y1105 HydrophobicContact CB-CE2 4.31Å; L1076-Y1105 HydrophobicContact CD2-CD2 4.33Å; L1076-Y1105 HydrophobicContact CD2-CE2 3.58Å; L1076-T1108 HydrophobicContact CD2-CG2 4.19Å; L1076-E1109 HydrophobicContact CD2-CB 4.34Å; L1076-I1165 HydrophobicContact CD1-CD1 3.87Å; L1076-I1165 HydrophobicContact CD2-CD1 4.42Å |
| 1077 | I | 72.1 | Confident | 63.6 | Low | 16 Ų | 16 | 52 Ų | 52 | 8% | 0.082 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -69.2 | -47.5 | -179.9 | -64.5 | 163.1 | 0 | 0 | 0 | 109.9 | Q1073 S1074 F1079 L1080 I1081 L1101 H1102 T1108 | Q1073-I1077 VanDerWaalsContact O-CD1 3.29Å; Q1073-I1077 WeakPolarHBondContact O-CD1 3.18Å; Q1073-I1077 VanDerWaalsContact O-CG1 3.29Å; Q1073-I1077 WeakPolarHBondContact O-CG1 3.26Å; Q1073-I1077 PolarHBondContact O-N 2.98Å; S1074-I1077 PolarHBondContact O-N 3.02Å; S1074-I1077 VanDerWaalsContact O-N 3.13Å; I1077-F1079 VanDerWaalsContact C-N 3.33Å; I1077-F1079 PolarHBondContact O-N 3.44Å; I1077-L1080 PolarHBondContact O-N 3.05Å; I1077-I1081 HydrophobicContact CG2-CD1 3.71Å; I1077-I1081 HydrophobicContact CG2-CG1 4.45Å; I1077-I1081 WeakPolarHBondContact O-CB 3.42Å; I1077-I1081 VanDerWaalsContact O-CG1 3.3Å; I1077-I1081 WeakPolarHBondContact O-CG1 3.35Å; I1077-I1081 PolarHBondContact O-N 3.19Å; I1077-L1101 WeakPolarHBondContact CD1-O 3.27Å; I1077-L1101 WeakPolarHBondContact CG1-O 2.89Å; I1077-L1101 HydrophobicContact CG2-CB 4.16Å; I1077-H1102 WeakPolarHBondContact CG2-ND1 3.21Å; I1077-T1108 HydrophobicContact CG1-CG2 4.15Å |
| 1078 | D | 70.7 | Confident | 64.2 | Low | 88 Ų | 88 | 51.3 Ų | 51.3 | 47% | 0.471 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -61.3 | -39.9 | 177.2 | -65.3 | -26.6 | 0 | 0 | 0 | 111.5 | S1074 W1082 | S1074-D1078 WeakPolarHBondContact O-CB 3.23Å; S1074-D1078 PolarHBondContact O-N 2.87Å; D1078-W1082 VanDerWaalsContact O-CB 3.25Å; D1078-W1082 WeakPolarHBondContact O-CB 3.4Å; D1078-W1082 PolarHBondContact O-N 2.97Å |
| 1079 | F | 72.1 | Confident | 65 | Low | 19 Ų | 19 | 45.1 Ų | 45.1 | 8% | 0.083 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -63.4 | -44.2 | 174.3 | 171.5 | -108.3 | 0 | 0 | 0 | 112.4 | L1055 F1058 W1075 I1077 W1082 F1083 I1116 | L1055-F1079 HydrophobicContact CD2-CE2 4.18Å; F1058-F1079 HydrophobicContact CD1-CD2 4.1Å; F1058-F1079 HydrophobicContact CD1-CE2 4.25Å; F1058-F1079 HydrophobicContact CE1-CB 4.34Å; F1058-F1079 AromaticContact CE1-CD2 3.33Å; F1058-F1079 HydrophobicContact CE1-CD2 3.33Å; F1058-F1079 AromaticContact CE1-CE2 3.92Å; F1058-F1079 HydrophobicContact CE1-CE2 3.92Å; F1058-F1079 HydrophobicContact CE1-CG 4.07Å; F1058-F1079 HydrophobicContact CZ-CB 4.33Å; F1058-F1079 AromaticContact CZ-CD2 3.9Å; F1058-F1079 HydrophobicContact CZ-CD2 3.9Å; W1075-F1079 VanDerWaalsContact O-CB 3.22Å; W1075-F1079 WeakPolarHBondContact O-CB 3.1Å; W1075-F1079 PolarHBondContact O-N 2.79Å; I1077-F1079 VanDerWaalsContact C-N 3.33Å; I1077-F1079 PolarHBondContact O-N 3.44Å; F1079-W1082 HydrophobicContact CD2-CE3 4.08Å; F1079-W1082 HydrophobicContact CD2-CZ3 4.49Å; F1079-W1082 HydrophobicContact CE2-CE3 4.08Å; F1079-W1082 HydrophobicContact CE2-CZ3 4.06Å; F1079-W1082 PolarHBondContact O-N 3.27Å; F1079-F1083 VanDerWaalsContact O-CB 3.28Å; F1079-F1083 WeakPolarHBondContact O-CB 3.11Å; F1079-F1083 PolarHBondContact O-N 2.99Å; F1079-I1116 HydrophobicContact CE1-CD1 4.45Å |
| 1080 | L | 71.3 | Confident | 65.8 | Low | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -71.1 | -35.3 | 179 | -76.5 | 167.4 | 0 | 0 | 0 | 112.6 | L1076 I1077 F1083 L1084 L1101 T1108 C1112 L1115 | L1076-L1080 HydrophobicContact CG-CD1 4.35Å; L1076-L1080 WeakPolarHBondContact O-CG 3.36Å; L1076-L1080 PolarHBondContact O-N 3.16Å; L1076-L1080 VanDerWaalsContact O-N 3.07Å; I1077-L1080 PolarHBondContact O-N 3.05Å; L1080-F1083 PolarHBondContact O-N 3.27Å; L1080-L1084 WeakPolarHBondContact O-CB 3.34Å; L1080-L1084 WeakPolarHBondContact O-CG 3.19Å; L1080-L1084 PolarHBondContact O-N 2.85Å; L1080-L1101 HydrophobicContact CB-CD1 4.2Å; L1080-T1108 HydrophobicContact CD1-CG2 3.41Å; L1080-T1108 VanDerWaalsContact CD1-CG2 3.41Å; L1080-C1112 HydrophobicContact CD1-CB 3.96Å; L1080-C1112 HydrophobicContact CD2-CB 4.23Å; L1080-L1115 HydrophobicContact CD2-CD1 3.96Å |
| 1081 | I | 72.1 | Confident | 66.5 | Low | 17 Ų | 17 | 40.4 Ų | 40.4 | 9% | 0.087 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -60.7 | -51.4 | 170.1 | -74.6 | 169.3 | 0 | 0 | 0 | 109.8 | I1077 F1083 L1084 E1085 K1098 L1101 H1102 | I1077-I1081 HydrophobicContact CG2-CD1 3.71Å; I1077-I1081 HydrophobicContact CG2-CG1 4.45Å; I1077-I1081 WeakPolarHBondContact O-CB 3.42Å; I1077-I1081 VanDerWaalsContact O-CG1 3.3Å; I1077-I1081 WeakPolarHBondContact O-CG1 3.35Å; I1077-I1081 PolarHBondContact O-N 3.19Å; I1081-F1083 VanDerWaalsContact C-N 3.3Å; I1081-F1083 PolarHBondContact O-N 3.16Å; I1081-L1084 PolarHBondContact O-N 3.09Å; I1081-E1085 HydrophobicContact CG2-CG 4.37Å; I1081-E1085 WeakPolarHBondContact O-CB 3.38Å; I1081-E1085 WeakPolarHBondContact O-CG 3.38Å; I1081-E1085 PolarHBondContact O-N 2.81Å; I1081-K1098 HydrophobicContact CG1-CG 4.21Å; I1081-L1101 HydrophobicContact CG1-CD1 4.13Å; I1081-H1102 VanDerWaalsContact CD1-CE1 3.45Å; I1081-H1102 WeakPolarHBondContact CD1-CE1 3.31Å; I1081-H1102 WeakPolarHBondContact CD1-NE2 3.33Å |
| 1082 | W | 75.8 | Confident | 66.7 | Low | 84 Ų | 84 | 42.4 Ų | 42.4 | 32% | 0.318 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -58.7 | -39.8 | 176.1 | 174.5 | 80 | 0 | 0 | 0 | 112.5 | L1051 L1055 D1078 F1079 E1085 S1086 | L1051-W1082 HydrophobicContact CD2-CH2 3.96Å; L1051-W1082 HydrophobicContact CD2-CZ2 3.69Å; L1055-W1082 HydrophobicContact CD1-CH2 3.87Å; L1055-W1082 HydrophobicContact CD1-CZ3 4.21Å; L1055-W1082 HydrophobicContact CD2-CH2 4.27Å; L1055-W1082 HydrophobicContact CD2-CZ3 4.04Å; L1055-W1082 HydrophobicContact CG-CH2 3.76Å; L1055-W1082 HydrophobicContact CG-CZ3 4.05Å; D1078-W1082 VanDerWaalsContact O-CB 3.25Å; D1078-W1082 WeakPolarHBondContact O-CB 3.4Å; D1078-W1082 PolarHBondContact O-N 2.97Å; F1079-W1082 HydrophobicContact CD2-CE3 4.08Å; F1079-W1082 HydrophobicContact CD2-CZ3 4.49Å; F1079-W1082 HydrophobicContact CE2-CE3 4.08Å; F1079-W1082 HydrophobicContact CE2-CZ3 4.06Å; F1079-W1082 PolarHBondContact O-N 3.27Å; W1082-E1085 PolarHBondContact O-N 3.28Å; W1082-S1086 WeakPolarHBondContact O-CB 3.05Å; W1082-S1086 PolarHBondContact O-N 3.02Å |
| 1083 | F | 70.1 | Confident | 66.9 | Low | 5 Ų | 5 | 43.9 Ų | 43.9 | 2% | 0.022 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -66.8 | -39.2 | 178.7 | -170.8 | -126.3 | 0 | 0 | 0 | 112 | F1079 L1080 I1081 S1086 I1089 L1115 I1116 F1119 | F1079-F1083 VanDerWaalsContact O-CB 3.28Å; F1079-F1083 WeakPolarHBondContact O-CB 3.11Å; F1079-F1083 PolarHBondContact O-N 2.99Å; L1080-F1083 PolarHBondContact O-N 3.27Å; I1081-F1083 VanDerWaalsContact C-N 3.3Å; I1081-F1083 PolarHBondContact O-N 3.16Å; F1083-S1086 PolarHBondContact O-OG 2.96Å; F1083-I1089 HydrophobicContact CD1-CD1 3.77Å; F1083-I1089 HydrophobicContact CE1-CD1 3.58Å; F1083-I1089 HydrophobicContact CZ-CD1 4.24Å; F1083-L1115 HydrophobicContact CE1-CB 4.48Å; F1083-I1116 HydrophobicContact CE1-CG1 4.29Å; F1083-F1119 HydrophobicContact CE1-CB 4.48Å; F1083-F1119 HydrophobicContact CE2-CD1 4.16Å; F1083-F1119 HydrophobicContact CE2-CE1 4.31Å; F1083-F1119 HydrophobicContact CE2-CG 4.35Å; F1083-F1119 HydrophobicContact CZ-CB 3.89Å; F1083-F1119 AromaticContact CZ-CD1 3.74Å; F1083-F1119 HydrophobicContact CZ-CD1 3.74Å; F1083-F1119 HydrophobicContact CZ-CD2 4.36Å; F1083-F1119 HydrophobicContact CZ-CE1 4.35Å; F1083-F1119 AromaticContact CZ-CG 3.73Å; F1083-F1119 HydrophobicContact CZ-CG 3.73Å |
| 1084 | L | 70.8 | Confident | 66.9 | Low | 16 Ų | 16 | 39.7 Ų | 39.7 | 8% | 0.084 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -70.3 | -36.5 | 172.1 | -70.2 | 168.5 | 0 | 0 | 0 | 112.5 | L1080 I1081 S1086 I1089 L1094 L1101 | L1080-L1084 WeakPolarHBondContact O-CB 3.34Å; L1080-L1084 WeakPolarHBondContact O-CG 3.19Å; L1080-L1084 PolarHBondContact O-N 2.85Å; I1081-L1084 PolarHBondContact O-N 3.09Å; L1084-S1086 VanDerWaalsContact C-N 3.34Å; L1084-I1089 HydrophobicContact CD2-CB 4.44Å; L1084-I1089 HydrophobicContact CD2-CD1 4.07Å; L1084-I1089 HydrophobicContact CD2-CG2 4.32Å; L1084-L1094 HydrophobicContact CD2-CB 4.34Å; L1084-L1101 HydrophobicContact CD1-CD1 3.87Å |
| 1085 | E | 68.6 | Low | 67.1 | Low | 118 Ų | 118 | 39.3 Ų | 39.3 | 55% | 0.551 | 21% | 0.206 | S | C | * | . | H | α-helix | trans | -73.1 | -21.5 | 176.7 | -74.6 | -177.8 | 160.8 | 0 | 0 | 113.9 | I1081 W1082 G1087 K1098 | I1081-E1085 HydrophobicContact CG2-CG 4.37Å; I1081-E1085 WeakPolarHBondContact O-CB 3.38Å; I1081-E1085 WeakPolarHBondContact O-CG 3.38Å; I1081-E1085 PolarHBondContact O-N 2.81Å; W1082-E1085 PolarHBondContact O-N 3.28Å; E1085-G1087 PolarHBondContact O-N 2.96Å; E1085-K1098 WeakPolarHBondContact OE1-CE 3.23Å; E1085-K1098 IonicContact OE1-NZ 2.97Å; E1085-K1098 PolarHBondContact OE1-NZ 3.01Å |
| 1086 | S | 65.1 | Low | 67 | Low | 31 Ų | 31 | 38.1 Ų | 38.1 | 22% | 0.217 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -5.6 | -175.3 | 72 | 0 | 0 | 0 | 0 | 115.8 | W1082 F1083 L1084 L1088 | W1082-S1086 WeakPolarHBondContact O-CB 3.05Å; W1082-S1086 PolarHBondContact O-N 3.02Å; F1083-S1086 PolarHBondContact O-OG 2.96Å; L1084-S1086 VanDerWaalsContact C-N 3.34Å; S1086-L1088 PolarHBondContact O-N 3.34Å; S1086-L1088 WeakPolarHBondContact OG-CB 3.15Å; S1086-L1088 WeakPolarHBondContact OG-CD1 3.27Å; S1086-L1088 WeakPolarHBondContact OG-CG 3.45Å; S1086-L1088 PolarHBondContact OG-N 3.43Å |
| 1087 | G | 60.7 | Low | 67 | Low | 42 Ų | 42 | 38.4 Ų | 38.4 | 43% | 0.433 | 20% | 0.203 | S | C | . | . | S | Bend | trans | 76.5 | -4.1 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | E1085 | E1085-G1087 PolarHBondContact O-N 2.96Š|
| 1088 | L | 58.2 | Low | 66.9 | Low | 29 Ų | 29 | 41.4 Ų | 41.4 | 15% | 0.152 | 22% | 0.215 | C | C | . | . | trans | -75.4 | -23.9 | -177 | -64.8 | 175 | 0 | 0 | 0 | 113.8 | S1086 F1119 F1136 | S1086-L1088 PolarHBondContact O-N 3.34Å; S1086-L1088 WeakPolarHBondContact OG-CB 3.15Å; S1086-L1088 WeakPolarHBondContact OG-CD1 3.27Å; S1086-L1088 WeakPolarHBondContact OG-CG 3.45Å; S1086-L1088 PolarHBondContact OG-N 3.43Å; L1088-F1119 HydrophobicContact CB-CD2 4.25Å; L1088-F1119 HydrophobicContact CB-CE2 3.76Å; L1088-F1119 HydrophobicContact CD1-CE2 3.96Å; L1088-F1119 HydrophobicContact CD1-CZ 3.92Å; L1088-F1119 HydrophobicContact CD2-CE2 4.22Å; L1088-F1119 HydrophobicContact CG-CE2 4.19Å; L1088-F1136 HydrophobicContact CD1-CZ 4.35Å | ||
| 1089 | I | 59.2 | Low | 66.6 | Low | 7 Ų | 7 | 39 Ų | 39 | 4% | 0.036 | 21% | 0.205 | C | C | . | . | trans | -108.7 | 86.4 | 179.5 | -62.4 | 171.1 | 0 | 0 | 0 | 110.1 | F1083 L1084 D1091 L1094 L1115 | F1083-I1089 HydrophobicContact CD1-CD1 3.77Å; F1083-I1089 HydrophobicContact CE1-CD1 3.58Å; F1083-I1089 HydrophobicContact CZ-CD1 4.24Å; L1084-I1089 HydrophobicContact CD2-CB 4.44Å; L1084-I1089 HydrophobicContact CD2-CD1 4.07Å; L1084-I1089 HydrophobicContact CD2-CG2 4.32Å; I1089-D1091 VanDerWaalsContact C-N 3.29Å; I1089-D1091 HydrophobicContact CG2-CB 4.41Å; I1089-D1091 PolarHBondContact O-N 3.45Å; I1089-D1091 VanDerWaalsContact O-N 3.12Å; I1089-L1094 HydrophobicContact CG2-CB 4.05Å; I1089-L1094 HydrophobicContact CG2-CD1 3.78Å; I1089-L1115 HydrophobicContact CD1-CD2 4.43Å | ||
| 1090 | Q | 57.6 | Low | 66.3 | Low | 95 Ų | 95 | 38.5 Ų | 38.5 | 44% | 0.444 | 20% | 0.203 | S | C | . | . | trans | -82.8 | 69.8 | 171 | -62 | 179.1 | -9 | 0 | 0 | 110.4 | R1122 | Q1090-R1122 PolarHBondContact O-NH1 3.32Å; Q1090-R1122 PolarHBondContact O-NH2 3.39Å | ||
| 1091 | D | 62.6 | Low | 66.1 | Low | 26 Ų | 26 | 38.6 Ų | 38.6 | 14% | 0.139 | 20% | 0.203 | C | C | . | . | trans | -140.6 | 108.9 | 169.2 | -171.4 | -43 | 0 | 0 | 0 | 108.3 | K951 I1089 F1093 L1094 T1095 | K951-D1091 WeakPolarHBondContact CE-OD2 3.46Å; K951-D1091 VanDerWaalsContact NZ-CG 3.25Å; K951-D1091 IonicContact NZ-OD1 3.61Å; K951-D1091 PolarHBondContact NZ-OD1 3.47Å; K951-D1091 IonicContact NZ-OD2 2.73Å; K951-D1091 PolarHBondContact NZ-OD2 3.49Å; I1089-D1091 VanDerWaalsContact C-N 3.29Å; I1089-D1091 HydrophobicContact CG2-CB 4.41Å; I1089-D1091 PolarHBondContact O-N 3.45Å; I1089-D1091 VanDerWaalsContact O-N 3.12Å; D1091-F1093 PolarHBondContact O-N 3.01Å; D1091-F1093 VanDerWaalsContact O-N 3.14Å; D1091-F1093 WeakPolarHBondContact OD1-CB 3.17Å; D1091-F1093 PolarHBondContact OD1-N 2.8Å; D1091-L1094 HydrophobicContact CB-CB 4.43Å; D1091-L1094 HydrophobicContact CB-CD1 4.05Å; D1091-L1094 HydrophobicContact CB-CG 4.19Å; D1091-L1094 PolarHBondContact O-N 3.1Å; D1091-T1095 PolarHBondContact O-N 3.15Å | ||
| 1092 | D | 63.1 | Low | 65.8 | Low | 120 Ų | 120 | 42.8 Ų | 42.8 | 64% | 0.642 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -57.9 | -32 | -171.2 | -62.3 | -51 | 0 | 0 | 0 | 112.9 | L1094 T1095 C1096 | D1092-L1094 VanDerWaalsContact C-N 3.32Å; D1092-L1094 PolarHBondContact O-N 3.23Å; D1092-T1095 PolarHBondContact O-N 3.32Å; D1092-T1095 PolarHBondContact O-OG1 3.34Å; D1092-C1096 PolarHBondContact O-N 3.48Å; D1092-C1096 PolarHBondContact O-SG 3.22Å |
| 1093 | F | 65.7 | Low | 65 | Low | 35 Ų | 35 | 42.1 Ų | 42.1 | 15% | 0.154 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63.8 | -39.9 | 177.2 | 178.9 | -89 | 0 | 0 | 0 | 111.5 | K951 I954 L955 L980 D1091 I1097 | K951-F1093 HydrophobicContact CB-CD1 4.39Å; K951-F1093 HydrophobicContact CB-CE1 3.91Å; K951-F1093 HydrophobicContact CB-CZ 4.21Å; K951-F1093 HydrophobicContact CD-CD1 3.93Å; K951-F1093 HydrophobicContact CD-CE1 4.32Å; K951-F1093 HydrophobicContact CD-CG 4.25Å; K951-F1093 HydrophobicContact CG-CD1 3.71Å; K951-F1093 HydrophobicContact CG-CE1 3.68Å; K951-F1093 HydrophobicContact CG-CG 4.47Å; K951-F1093 HydrophobicContact CG-CZ 4.41Å; I954-F1093 HydrophobicContact CB-CE1 4.24Å; I954-F1093 HydrophobicContact CB-CZ 4.46Å; I954-F1093 HydrophobicContact CD1-CE1 4.09Å; I954-F1093 HydrophobicContact CG2-CE1 3.9Å; I954-F1093 HydrophobicContact CG2-CZ 4.02Å; L955-F1093 HydrophobicContact CD1-CE2 4.19Å; L955-F1093 HydrophobicContact CD1-CZ 4.31Å; L980-F1093 HydrophobicContact CD1-CE2 4.33Å; L980-F1093 HydrophobicContact CD2-CD2 3.78Å; L980-F1093 HydrophobicContact CD2-CE2 4.39Å; L980-F1093 HydrophobicContact CD2-CG 4.39Å; D1091-F1093 PolarHBondContact O-N 3.01Å; D1091-F1093 VanDerWaalsContact O-N 3.14Å; D1091-F1093 WeakPolarHBondContact OD1-CB 3.17Å; D1091-F1093 PolarHBondContact OD1-N 2.8Å; F1093-I1097 HydrophobicContact CE1-CD1 4.32Å |
| 1094 | L | 65.9 | Low | 64.6 | Low | 6 Ų | 6 | 43.2 Ų | 43.2 | 3% | 0.031 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -74.9 | -33 | -178.7 | -60.8 | 177.8 | 0 | 0 | 0 | 112 | I954 L1084 I1089 D1091 D1092 C1096 I1097 L1115 Y1118 | I954-L1094 HydrophobicContact CD1-CD2 3.95Å; L1084-L1094 HydrophobicContact CD2-CB 4.34Å; I1089-L1094 HydrophobicContact CG2-CB 4.05Å; I1089-L1094 HydrophobicContact CG2-CD1 3.78Å; D1091-L1094 HydrophobicContact CB-CB 4.43Å; D1091-L1094 HydrophobicContact CB-CD1 4.05Å; D1091-L1094 HydrophobicContact CB-CG 4.19Å; D1091-L1094 PolarHBondContact O-N 3.1Å; D1092-L1094 VanDerWaalsContact C-N 3.32Å; D1092-L1094 PolarHBondContact O-N 3.23Å; L1094-C1096 VanDerWaalsContact C-N 3.34Å; L1094-C1096 PolarHBondContact O-N 2.78Å; L1094-I1097 HydrophobicContact CD2-CD1 3.86Å; L1094-I1097 PolarHBondContact O-N 3.4Å; L1094-L1115 HydrophobicContact CD1-CD2 3.86Å; L1094-L1115 HydrophobicContact CD2-CD2 4.04Å; L1094-L1115 HydrophobicContact CG-CD2 4.36Å; L1094-Y1118 HydrophobicContact CD1-CD1 4.38Å; L1094-Y1118 HydrophobicContact CD1-CE1 4.28Å |
| 1095 | T | 68.6 | Low | 64.3 | Low | 45 Ų | 45 | 43.9 Ų | 43.9 | 28% | 0.276 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -67.3 | -33.1 | 177 | 68.3 | 0 | 0 | 0 | 0 | 112.7 | D1091 D1092 I1097 K1098 | D1091-T1095 PolarHBondContact O-N 3.15Å; D1092-T1095 PolarHBondContact O-N 3.32Å; D1092-T1095 PolarHBondContact O-OG1 3.34Å; T1095-I1097 PolarHBondContact O-N 3.05Å; T1095-K1098 WeakPolarHBondContact O-CB 3.33Å; T1095-K1098 PolarHBondContact O-N 3.29Å |
| 1096 | C | 66.8 | Low | 64 | Low | 1 Ų | 1 | 44.5 Ų | 44.5 | 1% | 0.007 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -15.4 | 177.6 | -60 | 0 | 0 | 0 | 0 | 114 | V976 L980 K983 D1092 L1094 K1098 P1099 | V976-C1096 HydrophobicContact CG1-CB 4.48Å; V976-C1096 WeakPolarHBondContact CG1-O 3.24Å; V976-C1096 WeakPolarHBondContact CG2-O 3.5Å; L980-C1096 HydrophobicContact CD2-CB 3.61Å; L980-C1096 HydrophobicContact CG-CB 3.7Å; K983-C1096 PolarHBondContact NZ-SG 3.02Å; D1092-C1096 PolarHBondContact O-N 3.48Å; D1092-C1096 PolarHBondContact O-SG 3.22Å; L1094-C1096 VanDerWaalsContact C-N 3.34Å; L1094-C1096 PolarHBondContact O-N 2.78Å; C1096-K1098 PolarHBondContact O-N 2.73Å; C1096-P1099 VanDerWaalsContact O-CD 3.25Å; C1096-P1099 WeakPolarHBondContact O-CD 3.08Å |
| 1097 | I | 70.5 | Confident | 63.9 | Low | 6 Ų | 6 | 44.3 Ų | 44.3 | 3% | 0.031 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | -19 | -179.6 | -56 | 168.4 | 0 | 0 | 0 | 111.1 | I954 F1093 L1094 T1095 P1099 L1100 L1101 L1111 | I954-I1097 HydrophobicContact CD1-CD1 3.77Å; I954-I1097 HydrophobicContact CG1-CD1 4.31Å; I954-I1097 HydrophobicContact CG2-CD1 3.69Å; I954-I1097 HydrophobicContact CG2-CG1 4.15Å; F1093-I1097 HydrophobicContact CE1-CD1 4.32Å; L1094-I1097 HydrophobicContact CD2-CD1 3.86Å; L1094-I1097 PolarHBondContact O-N 3.4Å; T1095-I1097 PolarHBondContact O-N 3.05Å; I1097-P1099 VanDerWaalsContact C-CD 3.43Å; I1097-P1099 VanDerWaalsContact O-N 3.07Å; I1097-L1100 HydrophobicContact CG2-CB 4.42Å; I1097-L1100 WeakPolarHBondContact O-CB 3.32Å; I1097-L1100 PolarHBondContact O-N 2.88Å; I1097-L1101 HydrophobicContact CG2-CD2 3.87Å; I1097-L1101 HydrophobicContact CG2-CG 4.35Å; I1097-L1111 HydrophobicContact CD1-CD2 4.36Å; I1097-L1111 HydrophobicContact CG2-CD1 3.97Å |
| 1098 | K | 70 | Confident | 64.2 | Low | 79 Ų | 79 | 42.4 Ų | 42.4 | 34% | 0.343 | 21% | 0.213 | S | C | . | . | G | 310 helix | trans | -41.9 | -47.1 | -173.4 | -173.1 | -171.1 | -177.4 | -179.9 | 0 | 115 | I1081 E1085 T1095 C1096 L1100 L1101 | I1081-K1098 HydrophobicContact CG1-CG 4.21Å; E1085-K1098 WeakPolarHBondContact OE1-CE 3.23Å; E1085-K1098 IonicContact OE1-NZ 2.97Å; E1085-K1098 PolarHBondContact OE1-NZ 3.01Å; T1095-K1098 WeakPolarHBondContact O-CB 3.33Å; T1095-K1098 PolarHBondContact O-N 3.29Å; C1096-K1098 PolarHBondContact O-N 2.73Å; K1098-L1100 PolarHBondContact O-N 2.86Å; K1098-L1101 PolarHBondContact O-N 3.1Å |
| 1099 | P | 64.1 | Low | 64.6 | Low | 38 Ų | 38 | 42.4 Ų | 42.4 | 25% | 0.247 | 21% | 0.212 | C | C | . | . | G | 310 helix | trans | -64.5 | -37.9 | 179.6 | -20.6 | 34.3 | 0 | 0 | 0 | 113.4 | V976 C1096 I1097 L1101 F1103 | V976-P1099 HydrophobicContact CG2-CB 3.78Å; V976-P1099 HydrophobicContact CG2-CG 3.66Å; C1096-P1099 VanDerWaalsContact O-CD 3.25Å; C1096-P1099 WeakPolarHBondContact O-CD 3.08Å; I1097-P1099 VanDerWaalsContact C-CD 3.43Å; I1097-P1099 VanDerWaalsContact O-N 3.07Å; P1099-L1101 VanDerWaalsContact C-N 3.28Å; P1099-L1101 PolarHBondContact O-N 2.77Å; P1099-F1103 WeakPolarHBondContact O-CD2 3.2Å; P1099-F1103 WeakPolarHBondContact O-CE2 3.03Å |
| 1100 | L | 64.9 | Low | 65 | Low | 8 Ų | 8 | 46.5 Ų | 46.5 | 4% | 0.042 | 23% | 0.23 | C | C | . | . | G | 310 helix | trans | -66.7 | -26 | -177.4 | -78.9 | 158.7 | 0 | 0 | 0 | 113.9 | I958 A973 V976 I1097 K1098 H1102 F1103 S1104 | I958-L1100 HydrophobicContact CD1-CD1 3.56Å; I958-L1100 HydrophobicContact CG1-CD1 3.56Å; A973-L1100 HydrophobicContact CB-CD2 3.86Å; V976-L1100 HydrophobicContact CB-CD1 3.86Å; V976-L1100 HydrophobicContact CB-CG 4.24Å; V976-L1100 HydrophobicContact CG1-CD1 3.72Å; V976-L1100 HydrophobicContact CG2-CD1 3.92Å; V976-L1100 HydrophobicContact CG2-CG 3.85Å; I1097-L1100 HydrophobicContact CG2-CB 4.42Å; I1097-L1100 WeakPolarHBondContact O-CB 3.32Å; I1097-L1100 PolarHBondContact O-N 2.88Å; K1098-L1100 PolarHBondContact O-N 2.86Å; L1100-H1102 PolarHBondContact O-N 3.02Å; L1100-F1103 PolarHBondContact O-N 3.19Å; L1100-S1104 PolarHBondContact O-N 2.55Å |
| 1101 | L | 68 | Low | 65.6 | Low | 2 Ų | 2 | 42.7 Ų | 42.7 | 1% | 0.01 | 21% | 0.212 | C | C | . | . | G | 310 helix | trans | -59.9 | -33.1 | -175.9 | -58.9 | 178.3 | 0 | 0 | 0 | 111.8 | I1077 L1080 I1081 L1084 I1097 K1098 P1099 F1103 T1108 L1111 | I1077-L1101 WeakPolarHBondContact CD1-O 3.27Å; I1077-L1101 WeakPolarHBondContact CG1-O 2.89Å; I1077-L1101 HydrophobicContact CG2-CB 4.16Å; L1080-L1101 HydrophobicContact CB-CD1 4.2Å; I1081-L1101 HydrophobicContact CG1-CD1 4.13Å; L1084-L1101 HydrophobicContact CD1-CD1 3.87Å; I1097-L1101 HydrophobicContact CG2-CD2 3.87Å; I1097-L1101 HydrophobicContact CG2-CG 4.35Å; K1098-L1101 PolarHBondContact O-N 3.1Å; P1099-L1101 VanDerWaalsContact C-N 3.28Å; P1099-L1101 PolarHBondContact O-N 2.77Å; L1101-F1103 VanDerWaalsContact C-N 3.32Å; L1101-F1103 PolarHBondContact O-N 3.42Å; L1101-T1108 WeakPolarHBondContact CA-OG1 3.07Å; L1101-T1108 HydrophobicContact CB-CG2 4.49Å; L1101-T1108 HydrophobicContact CD2-CG2 4.18Å; L1101-T1108 PolarHBondContact O-OG1 2.96Å; L1101-T1108 VanDerWaalsContact O-OG1 3.09Å; L1101-L1111 HydrophobicContact CD2-CD1 4.26Å |
| 1102 | H | 65.7 | Low | 66.3 | Low | 105 Ų | 105 | 41.6 Ų | 41.6 | 49% | 0.486 | 21% | 0.207 | S | C | . | . | G | 310 helix | trans | -71.5 | -17.8 | 175.4 | -69.9 | -67.4 | 0 | 0 | 0 | 114.6 | I1077 I1081 L1100 | I1077-H1102 WeakPolarHBondContact CG2-ND1 3.21Å; I1081-H1102 VanDerWaalsContact CD1-CE1 3.45Å; I1081-H1102 WeakPolarHBondContact CD1-CE1 3.31Å; I1081-H1102 WeakPolarHBondContact CD1-NE2 3.33Å; L1100-H1102 PolarHBondContact O-N 3.02Å |
| 1103 | F | 58.1 | Low | 66.9 | Low | 71 Ų | 71 | 36 Ų | 36 | 31% | 0.311 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -110.8 | -10.3 | -168.3 | -61.4 | -67.4 | 0 | 0 | 0 | 115.1 | L968 I969 N972 P1099 L1100 L1101 | L968-F1103 HydrophobicContact CD2-CE1 3.98Å; I969-F1103 HydrophobicContact CB-CB 4.41Å; I969-F1103 WeakPolarHBondContact CD1-O 3.38Å; I969-F1103 HydrophobicContact CG1-CB 4.21Å; I969-F1103 HydrophobicContact CG2-CB 3.98Å; N972-F1103 HydrophobicContact CB-CD2 3.88Å; N972-F1103 HydrophobicContact CB-CE2 3.9Å; N972-F1103 WeakPolarHBondContact ND2-CD2 3.35Å; N972-F1103 WeakPolarHBondContact ND2-CE1 3.21Å; N972-F1103 WeakPolarHBondContact ND2-CE2 3.33Å; N972-F1103 WeakPolarHBondContact ND2-CZ 3.47Å; P1099-F1103 WeakPolarHBondContact O-CD2 3.2Å; P1099-F1103 WeakPolarHBondContact O-CE2 3.03Å; L1100-F1103 PolarHBondContact O-N 3.19Å; L1101-F1103 VanDerWaalsContact C-N 3.32Å; L1101-F1103 PolarHBondContact O-N 3.42Å |
| 1104 | S | 62.1 | Low | 67.4 | Low | 28 Ų | 28 | 36.2 Ų | 36.2 | 20% | 0.196 | 18% | 0.177 | C | C | . | . | trans | -146.5 | 82.8 | 178 | 55.9 | 0 | 0 | 0 | 0 | 112.5 | L1100 E1106 S1107 T1108 | L1100-S1104 PolarHBondContact O-N 2.55Å; S1104-E1106 VanDerWaalsContact C-N 3.33Å; S1104-E1106 PolarHBondContact O-N 2.98Å; S1104-S1107 WeakPolarHBondContact O-CB 3.43Å; S1104-S1107 PolarHBondContact O-N 3.1Å; S1104-S1107 WeakPolarHBondContact OG-CB 3.46Å; S1104-S1107 PolarHBondContact OG-OG 3.07Å; S1104-T1108 PolarHBondContact O-N 2.98Å; S1104-T1108 PolarHBondContact O-OG1 3.05Å | ||
| 1105 | Y | 65.8 | Low | 67.7 | Low | 29 Ų | 29 | 36.1 Ų | 36.1 | 11% | 0.114 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -53.2 | -43 | -177.1 | 173.9 | -90.2 | 0 | 0 | 0 | 113.5 | F1072 Q1073 L1076 S1107 T1108 E1109 R1161 | F1072-Y1105 WeakPolarHBondContact CE1-OH 3.13Å; Q1073-Y1105 HydrophobicContact CB-CD2 3.74Å; Q1073-Y1105 HydrophobicContact CB-CE2 3.94Å; Q1073-Y1105 HydrophobicContact CB-CG 4.5Å; Q1073-Y1105 HydrophobicContact CG-CD2 3.74Å; Q1073-Y1105 HydrophobicContact CG-CE2 3.78Å; Q1073-Y1105 HydrophobicContact CG-CG 4.18Å; L1076-Y1105 HydrophobicContact CB-CE2 4.31Å; L1076-Y1105 HydrophobicContact CD2-CD2 4.33Å; L1076-Y1105 HydrophobicContact CD2-CE2 3.58Å; Y1105-S1107 VanDerWaalsContact C-N 3.31Å; Y1105-S1107 PolarHBondContact O-N 3.36Å; Y1105-T1108 WeakPolarHBondContact O-CB 3.35Å; Y1105-T1108 PolarHBondContact O-N 3.45Å; Y1105-E1109 HydrophobicContact CE1-CB 4.35Å; Y1105-E1109 WeakPolarHBondContact CE1-OE2 3.15Å; Y1105-E1109 WeakPolarHBondContact O-CB 3.03Å; Y1105-E1109 PolarHBondContact O-N 3.37Å; Y1105-E1109 PolarHBondContact OH-OE1 3.26Å; Y1105-R1161 PolarHBondContact OH-NE 3.47Å |
| 1106 | E | 62 | Low | 67.9 | Low | 131 Ų | 131 | 35 Ų | 35 | 61% | 0.612 | 17% | 0.168 | S | C | * | . | H | α-helix | trans | -63.2 | -34 | 177.5 | -64.8 | -164 | 135.9 | 0 | 0 | 113.9 | S1104 K1110 | S1104-E1106 VanDerWaalsContact C-N 3.33Å; S1104-E1106 PolarHBondContact O-N 2.98Å; E1106-K1110 WeakPolarHBondContact O-CG 3.39Å; E1106-K1110 PolarHBondContact O-N 3.49Å |
| 1107 | S | 62.1 | Low | 68.1 | Low | 27 Ų | 27 | 34.9 Ų | 34.9 | 19% | 0.189 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -70.3 | -43.1 | 176 | -56.9 | 0 | 0 | 0 | 0 | 109.9 | S1104 Y1105 K1110 L1111 | S1104-S1107 WeakPolarHBondContact O-CB 3.43Å; S1104-S1107 PolarHBondContact O-N 3.1Å; S1104-S1107 WeakPolarHBondContact OG-CB 3.46Å; S1104-S1107 PolarHBondContact OG-OG 3.07Å; Y1105-S1107 VanDerWaalsContact C-N 3.31Å; Y1105-S1107 PolarHBondContact O-N 3.36Å; S1107-K1110 PolarHBondContact O-N 3.25Å; S1107-L1111 WeakPolarHBondContact O-CB 3.36Å; S1107-L1111 PolarHBondContact O-N 3.42Å |
| 1108 | T | 66.5 | Low | 68.2 | Low | 2 Ų | 2 | 36.2 Ų | 36.2 | 1% | 0.012 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -60.4 | -43.4 | 175.7 | -59.9 | 0 | 0 | 0 | 0 | 112 | L1076 I1077 L1080 L1101 S1104 Y1105 K1110 L1111 C1112 | L1076-T1108 HydrophobicContact CD2-CG2 4.19Å; I1077-T1108 HydrophobicContact CG1-CG2 4.15Å; L1080-T1108 HydrophobicContact CD1-CG2 3.41Å; L1080-T1108 VanDerWaalsContact CD1-CG2 3.41Å; L1101-T1108 WeakPolarHBondContact CA-OG1 3.07Å; L1101-T1108 HydrophobicContact CB-CG2 4.49Å; L1101-T1108 HydrophobicContact CD2-CG2 4.18Å; L1101-T1108 PolarHBondContact O-OG1 2.96Å; L1101-T1108 VanDerWaalsContact O-OG1 3.09Å; S1104-T1108 PolarHBondContact O-N 2.98Å; S1104-T1108 PolarHBondContact O-OG1 3.05Å; Y1105-T1108 WeakPolarHBondContact O-CB 3.35Å; Y1105-T1108 PolarHBondContact O-N 3.45Å; T1108-K1110 PolarHBondContact O-N 3.34Å; T1108-L1111 PolarHBondContact O-N 2.98Å; T1108-C1112 PolarHBondContact O-N 3.1Å |
| 1109 | E | 68.5 | Low | 68.2 | Low | 30 Ų | 30 | 33 Ų | 33 | 14% | 0.14 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -58.9 | -45.3 | 176.8 | -172.4 | 159.8 | -131.4 | 0 | 0 | 111.6 | L1076 Y1105 C1112 R1161 I1165 | L1076-E1109 HydrophobicContact CD2-CB 4.34Å; Y1105-E1109 HydrophobicContact CE1-CB 4.35Å; Y1105-E1109 WeakPolarHBondContact CE1-OE2 3.15Å; Y1105-E1109 WeakPolarHBondContact O-CB 3.03Å; Y1105-E1109 PolarHBondContact O-N 3.37Å; Y1105-E1109 PolarHBondContact OH-OE1 3.26Å; E1109-C1112 WeakPolarHBondContact O-CB 3.22Å; E1109-R1161 WeakPolarHBondContact OE1-CG 3.31Å; E1109-R1161 IonicContact OE1-CZ 3.21Å; E1109-R1161 IonicContact OE1-NE 3.97Å; E1109-R1161 PolarHBondContact OE1-NE 3.37Å; E1109-R1161 IonicContact OE1-NH2 3.23Å; E1109-R1161 IonicContact OE2-CZ 2.77Å; E1109-R1161 IonicContact OE2-NE 3.45Å; E1109-R1161 PolarHBondContact OE2-NE 3.07Å; E1109-R1161 IonicContact OE2-NH2 2.93Å; E1109-R1161 PolarHBondContact OE2-NH2 3.48Å; E1109-I1165 HydrophobicContact CG-CD1 3.88Å; E1109-I1165 HydrophobicContact CG-CG1 3.94Å |
| 1110 | K | 67.3 | Low | 68.3 | Low | 92 Ų | 92 | 31.3 Ų | 31.3 | 40% | 0.4 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -70.5 | -36.7 | 175.6 | -67.9 | 165.2 | -169.7 | 161.7 | 0 | 113.1 | E1106 S1107 T1108 | E1106-K1110 WeakPolarHBondContact O-CG 3.39Å; E1106-K1110 PolarHBondContact O-N 3.49Å; S1107-K1110 PolarHBondContact O-N 3.25Å; T1108-K1110 PolarHBondContact O-N 3.34Å |
| 1111 | L | 70.7 | Confident | 68.3 | Low | 15 Ų | 15 | 31.7 Ų | 31.7 | 8% | 0.079 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -63.1 | -40.6 | 178.3 | -115.6 | 158.6 | 0 | 0 | 0 | 112.2 | I954 I1097 L1101 S1107 T1108 S1113 W1114 L1115 | I954-L1111 HydrophobicContact CD1-CD2 3.65Å; I954-L1111 HydrophobicContact CD1-CG 4.43Å; I954-L1111 HydrophobicContact CG1-CD1 4.22Å; I954-L1111 HydrophobicContact CG1-CD2 3.75Å; I954-L1111 HydrophobicContact CG1-CG 3.98Å; I1097-L1111 HydrophobicContact CD1-CD2 4.36Å; I1097-L1111 HydrophobicContact CG2-CD1 3.97Å; L1101-L1111 HydrophobicContact CD2-CD1 4.26Å; S1107-L1111 WeakPolarHBondContact O-CB 3.36Å; S1107-L1111 PolarHBondContact O-N 3.42Å; T1108-L1111 PolarHBondContact O-N 2.98Å; L1111-S1113 VanDerWaalsContact C-N 3.32Å; L1111-S1113 PolarHBondContact O-N 3.2Å; L1111-W1114 PolarHBondContact O-N 2.79Å; L1111-L1115 HydrophobicContact CD2-CD1 3.89Å; L1111-L1115 HydrophobicContact CD2-CD2 4.44Å; L1111-L1115 HydrophobicContact CD2-CG 3.97Å; L1111-L1115 WeakPolarHBondContact O-CG 3.19Å; L1111-L1115 PolarHBondContact O-N 2.84Å |
| 1112 | C | 75.5 | Confident | 68 | Low | 4 Ų | 4 | 35.6 Ų | 35.6 | 3% | 0.027 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -50 | -51 | -178.9 | -167.6 | 0 | 0 | 0 | 0 | 112.3 | L1080 T1108 E1109 W1114 L1115 I1116 I1165 | L1080-C1112 HydrophobicContact CD1-CB 3.96Å; L1080-C1112 HydrophobicContact CD2-CB 4.23Å; T1108-C1112 PolarHBondContact O-N 3.1Å; E1109-C1112 WeakPolarHBondContact O-CB 3.22Å; C1112-W1114 VanDerWaalsContact C-N 3.3Å; C1112-W1114 PolarHBondContact O-N 3.25Å; C1112-L1115 PolarHBondContact O-N 2.93Å; C1112-I1116 WeakPolarHBondContact O-CG1 3.1Å; C1112-I1116 PolarHBondContact O-N 3.08Å; C1112-I1116 VanDerWaalsContact O-N 3.15Å; C1112-I1165 HydrophobicContact CB-CG2 4.1Å |
| 1113 | S | 77.4 | Confident | 67.7 | Low | 3 Ų | 3 | 31.4 Ų | 31.4 | 2% | 0.021 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -56 | -41.4 | -177.4 | -59.3 | 0 | 0 | 0 | 0 | 113.2 | L1111 A1117 E1168 | L1111-S1113 VanDerWaalsContact C-N 3.32Å; L1111-S1113 PolarHBondContact O-N 3.2Å; S1113-A1117 WeakPolarHBondContact O-CB 3.34Å; S1113-A1117 PolarHBondContact O-N 3.39Å; S1113-E1168 WeakPolarHBondContact OG-CB 3.43Å |
| 1114 | W | 75.1 | Confident | 67.5 | Low | 39 Ų | 39 | 28.1 Ų | 28.1 | 15% | 0.148 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -82.3 | -35.3 | -178.7 | -67.9 | 103.7 | 0 | 0 | 0 | 113.6 | P946 Y949 V950 L1111 C1112 A1117 Y1118 A1172 H1175 F1176 | P946-W1114 HydrophobicContact CB-CZ3 4.34Å; Y949-W1114 HydrophobicContact CD1-CH2 4.41Å; Y949-W1114 HydrophobicContact CD1-CZ2 4.29Å; Y949-W1114 HydrophobicContact CE1-CH2 4.4Å; Y949-W1114 AromaticContact CE1-CZ2 3.93Å; Y949-W1114 HydrophobicContact CE1-CZ2 3.93Å; V950-W1114 HydrophobicContact CB-CB 4.48Å; V950-W1114 HydrophobicContact CG1-CB 4.04Å; V950-W1114 HydrophobicContact CG2-CB 3.53Å; V950-W1114 HydrophobicContact CG2-CD2 3.4Å; V950-W1114 HydrophobicContact CG2-CE3 3.43Å; V950-W1114 VanDerWaalsContact CG2-CE3 3.43Å; V950-W1114 HydrophobicContact CG2-CG 3.46Å; V950-W1114 VanDerWaalsContact CG2-CG 3.46Å; V950-W1114 HydrophobicContact CG2-CZ3 4.3Å; L1111-W1114 PolarHBondContact O-N 2.79Å; C1112-W1114 VanDerWaalsContact C-N 3.3Å; C1112-W1114 PolarHBondContact O-N 3.25Å; W1114-A1117 PolarHBondContact O-N 3.22Å; W1114-Y1118 WeakPolarHBondContact O-CB 3.41Å; W1114-Y1118 PolarHBondContact O-N 3.16Å; W1114-A1172 HydrophobicContact CD2-CB 3.82Å; W1114-A1172 HydrophobicContact CE3-CB 3.59Å; W1114-A1172 HydrophobicContact CG-CB 4.47Å; W1114-A1172 HydrophobicContact CH2-CB 4.19Å; W1114-A1172 HydrophobicContact CZ2-CB 4.41Å; W1114-A1172 HydrophobicContact CZ3-CB 3.79Å; W1114-H1175 AromaticContact CH2-ND1 3.51Å; W1114-H1175 AromaticContact CZ3-ND1 3.78Å; W1114-F1176 HydrophobicContact CE3-CD2 4.42Å; W1114-F1176 AromaticContact CE3-CE2 3.96Å; W1114-F1176 HydrophobicContact CE3-CE2 3.96Å; W1114-F1176 HydrophobicContact CZ3-CD2 4.34Å; W1114-F1176 HydrophobicContact CZ3-CE2 4.23Å |
| 1115 | L | 72.3 | Confident | 67 | Low | 4 Ų | 4 | 28.5 Ų | 28.5 | 2% | 0.021 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -61.1 | -44.9 | 176.1 | -75.4 | 172.8 | 0 | 0 | 0 | 111.6 | L1080 F1083 I1089 L1094 L1111 C1112 F1119 | L1080-L1115 HydrophobicContact CD2-CD1 3.96Å; F1083-L1115 HydrophobicContact CE1-CB 4.48Å; I1089-L1115 HydrophobicContact CD1-CD2 4.43Å; L1094-L1115 HydrophobicContact CD1-CD2 3.86Å; L1094-L1115 HydrophobicContact CD2-CD2 4.04Å; L1094-L1115 HydrophobicContact CG-CD2 4.36Å; L1111-L1115 HydrophobicContact CD2-CD1 3.89Å; L1111-L1115 HydrophobicContact CD2-CD2 4.44Å; L1111-L1115 HydrophobicContact CD2-CG 3.97Å; L1111-L1115 WeakPolarHBondContact O-CG 3.19Å; L1111-L1115 PolarHBondContact O-N 2.84Å; C1112-L1115 PolarHBondContact O-N 2.93Å; L1115-F1119 WeakPolarHBondContact O-CB 3.48Å; L1115-F1119 PolarHBondContact O-N 3.38Å; L1115-F1119 VanDerWaalsContact O-N 3.13Å |
| 1116 | I | 72 | Confident | 66.2 | Low | 20 Ų | 20 | 28.2 Ų | 28.2 | 10% | 0.103 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -66.2 | -44.4 | 178.1 | -65.7 | 169.1 | 0 | 0 | 0 | 110.6 | F1079 F1083 C1112 F1119 L1120 T1169 | F1079-I1116 HydrophobicContact CE1-CD1 4.45Å; F1083-I1116 HydrophobicContact CE1-CG1 4.29Å; C1112-I1116 WeakPolarHBondContact O-CG1 3.1Å; C1112-I1116 PolarHBondContact O-N 3.08Å; C1112-I1116 VanDerWaalsContact O-N 3.15Å; I1116-F1119 PolarHBondContact O-N 2.79Å; I1116-L1120 HydrophobicContact CG2-CD1 4.4Å; I1116-L1120 PolarHBondContact O-N 3.39Å; I1116-L1120 VanDerWaalsContact O-N 3.11Å; I1116-T1169 HydrophobicContact CB-CG2 4.08Å; I1116-T1169 HydrophobicContact CD1-CG2 3.91Å; I1116-T1169 HydrophobicContact CG2-CG2 4.14Å |
| 1117 | A | 72 | Confident | 65.4 | Low | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -61 | -46.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | S1113 W1114 F1119 L1120 I1121 A1172 F1173 F1176 | S1113-A1117 WeakPolarHBondContact O-CB 3.34Å; S1113-A1117 PolarHBondContact O-N 3.39Å; W1114-A1117 PolarHBondContact O-N 3.22Å; A1117-F1119 VanDerWaalsContact C-N 3.33Å; A1117-F1119 PolarHBondContact O-N 2.95Å; A1117-L1120 PolarHBondContact O-N 3.15Å; A1117-I1121 WeakPolarHBondContact O-CD1 3.29Å; A1117-I1121 WeakPolarHBondContact O-CG1 3.49Å; A1117-I1121 PolarHBondContact O-N 3.05Å; A1117-A1172 HydrophobicContact CB-CB 3.78Å; A1117-F1173 HydrophobicContact CB-CB 4.11Å; A1117-F1176 HydrophobicContact CB-CD2 4.37Å; A1117-F1176 HydrophobicContact CB-CE2 4.49Å |
| 1118 | Y | 71.6 | Confident | 64.6 | Low | 34 Ų | 34 | 31.5 Ų | 31.5 | 13% | 0.133 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -57.7 | -44.6 | 176.7 | 172.3 | -105.2 | 0 | 0 | 0 | 112.1 | V947 L1094 W1114 I1121 R1122 F1176 | V947-Y1118 HydrophobicContact CG1-CD2 4.43Å; V947-Y1118 HydrophobicContact CG1-CE2 4.06Å; V947-Y1118 HydrophobicContact CG2-CD2 3.83Å; V947-Y1118 HydrophobicContact CG2-CE2 3.76Å; L1094-Y1118 HydrophobicContact CD1-CD1 4.38Å; L1094-Y1118 HydrophobicContact CD1-CE1 4.28Å; W1114-Y1118 WeakPolarHBondContact O-CB 3.41Å; W1114-Y1118 PolarHBondContact O-N 3.16Å; Y1118-I1121 PolarHBondContact O-N 3.4Å; Y1118-R1122 PolarHBondContact O-N 3.35Å; Y1118-R1122 PolarHBondContact OH-NE 3.2Å; Y1118-F1176 HydrophobicContact CD2-CZ 4.39Å |
| 1119 | F | 70.7 | Confident | 63.8 | Low | 10 Ų | 10 | 33.2 Ų | 33.2 | 4% | 0.044 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -63 | -46.4 | 179.3 | 167.8 | -104.6 | 0 | 0 | 0 | 113 | F1083 L1088 L1115 I1116 A1117 I1121 R1122 I1123 F1136 | F1083-F1119 HydrophobicContact CE1-CB 4.48Å; F1083-F1119 HydrophobicContact CE2-CD1 4.16Å; F1083-F1119 HydrophobicContact CE2-CE1 4.31Å; F1083-F1119 HydrophobicContact CE2-CG 4.35Å; F1083-F1119 HydrophobicContact CZ-CB 3.89Å; F1083-F1119 AromaticContact CZ-CD1 3.74Å; F1083-F1119 HydrophobicContact CZ-CD1 3.74Å; F1083-F1119 HydrophobicContact CZ-CD2 4.36Å; F1083-F1119 HydrophobicContact CZ-CE1 4.35Å; F1083-F1119 AromaticContact CZ-CG 3.73Å; F1083-F1119 HydrophobicContact CZ-CG 3.73Å; L1088-F1119 HydrophobicContact CB-CD2 4.25Å; L1088-F1119 HydrophobicContact CB-CE2 3.76Å; L1088-F1119 HydrophobicContact CD1-CE2 3.96Å; L1088-F1119 HydrophobicContact CD1-CZ 3.92Å; L1088-F1119 HydrophobicContact CD2-CE2 4.22Å; L1088-F1119 HydrophobicContact CG-CE2 4.19Å; L1115-F1119 WeakPolarHBondContact O-CB 3.48Å; L1115-F1119 PolarHBondContact O-N 3.38Å; L1115-F1119 VanDerWaalsContact O-N 3.13Å; I1116-F1119 PolarHBondContact O-N 2.79Å; A1117-F1119 VanDerWaalsContact C-N 3.33Å; A1117-F1119 PolarHBondContact O-N 2.95Å; F1119-I1121 PolarHBondContact O-N 3.04Å; F1119-R1122 PolarHBondContact O-N 2.96Å; F1119-I1123 HydrophobicContact CD2-CD1 4.3Å; F1119-I1123 HydrophobicContact CE1-CD1 3.97Å; F1119-I1123 HydrophobicContact CE2-CD1 3.52Å; F1119-I1123 HydrophobicContact CE2-CG1 4.26Å; F1119-I1123 HydrophobicContact CZ-CD1 3.34Å; F1119-I1123 HydrophobicContact CZ-CG1 4.49Å; F1119-I1123 PolarHBondContact O-N 2.8Å; F1119-F1136 AromaticContact CE1-CE1 3.77Å; F1119-F1136 HydrophobicContact CE1-CE1 3.77Å; F1119-F1136 HydrophobicContact CE1-CZ 4.43Å; F1119-F1136 AromaticContact CZ-CE1 3.61Å; F1119-F1136 HydrophobicContact CZ-CE1 3.61Å; F1119-F1136 HydrophobicContact CZ-CZ 4.13Å |
| 1120 | L | 65.9 | Low | 63 | Low | 3 Ų | 3 | 36.5 Ų | 36.5 | 2% | 0.016 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -53.2 | -41.1 | 175.4 | -76.9 | 168.1 | 0 | 0 | 0 | 112.1 | I1116 A1117 G1124 L1140 F1173 | I1116-L1120 HydrophobicContact CG2-CD1 4.4Å; I1116-L1120 PolarHBondContact O-N 3.39Å; I1116-L1120 VanDerWaalsContact O-N 3.11Å; A1117-L1120 PolarHBondContact O-N 3.15Å; L1120-G1124 PolarHBondContact O-N 3.41Å; L1120-G1124 VanDerWaalsContact O-N 3.08Å; L1120-L1140 HydrophobicContact CD2-CD2 3.92Å; L1120-F1173 HydrophobicContact CB-CD2 3.92Å; L1120-F1173 HydrophobicContact CB-CE2 3.69Å; L1120-F1173 HydrophobicContact CD1-CD2 3.94Å; L1120-F1173 HydrophobicContact CD1-CE2 4.19Å; L1120-F1173 HydrophobicContact CD1-CG 4.43Å |
| 1121 | I | 65.1 | Low | 62.6 | Low | 16 Ų | 16 | 40.2 Ų | 40.2 | 8% | 0.082 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -77.4 | -37.8 | -177 | -69.6 | 159.2 | 0 | 0 | 0 | 112.1 | A1117 Y1118 F1119 I1123 G1124 S1125 F1173 F1176 I1180 | A1117-I1121 WeakPolarHBondContact O-CD1 3.29Å; A1117-I1121 WeakPolarHBondContact O-CG1 3.49Å; A1117-I1121 PolarHBondContact O-N 3.05Å; Y1118-I1121 PolarHBondContact O-N 3.4Å; F1119-I1121 PolarHBondContact O-N 3.04Å; I1121-I1123 PolarHBondContact O-N 2.9Å; I1121-G1124 PolarHBondContact O-N 3.36Å; I1121-G1124 VanDerWaalsContact O-N 3.12Å; I1121-S1125 WeakPolarHBondContact O-CB 3.42Å; I1121-S1125 PolarHBondContact O-N 3.15Å; I1121-S1125 PolarHBondContact O-OG 3.45Å; I1121-F1173 HydrophobicContact CD1-CD2 3.89Å; I1121-F1173 HydrophobicContact CD1-CE2 4.23Å; I1121-F1173 HydrophobicContact CG1-CD2 3.83Å; I1121-F1173 HydrophobicContact CG1-CE2 3.67Å; I1121-F1176 HydrophobicContact CD1-CB 3.16Å; I1121-F1176 HydrophobicContact CD1-CD1 4.05Å; I1121-F1176 HydrophobicContact CD1-CD2 3.72Å; I1121-F1176 HydrophobicContact CD1-CG 3.44Å; I1121-F1176 VanDerWaalsContact CD1-CG 3.44Å; I1121-I1180 HydrophobicContact CG2-CD1 3.71Å |
| 1122 | R | 62.7 | Low | 61.8 | Low | 84 Ų | 84 | 40.8 Ų | 40.8 | 32% | 0.317 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -65.3 | -26.6 | 178.4 | -156.5 | 179.2 | -170.1 | -174.5 | 4.3 | 112.4 | Q1090 Y1118 F1119 S1125 N1126 | Q1090-R1122 PolarHBondContact O-NH1 3.32Å; Q1090-R1122 PolarHBondContact O-NH2 3.39Å; Y1118-R1122 PolarHBondContact O-N 3.35Å; Y1118-R1122 PolarHBondContact OH-NE 3.2Å; F1119-R1122 PolarHBondContact O-N 2.96Å; R1122-S1125 PolarHBondContact O-OG 3.17Å; R1122-N1126 PolarHBondContact O-ND2 3.18Å |
| 1123 | I | 59.2 | Low | 60.9 | Low | 18 Ų | 18 | 42.4 Ų | 42.4 | 9% | 0.092 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -77.4 | -49 | 167 | -66.2 | 172.9 | 0 | 0 | 0 | 110.6 | F1119 I1121 S1125 N1126 M1133 T1137 | F1119-I1123 HydrophobicContact CD2-CD1 4.3Å; F1119-I1123 HydrophobicContact CE1-CD1 3.97Å; F1119-I1123 HydrophobicContact CE2-CD1 3.52Å; F1119-I1123 HydrophobicContact CE2-CG1 4.26Å; F1119-I1123 HydrophobicContact CZ-CD1 3.34Å; F1119-I1123 HydrophobicContact CZ-CG1 4.49Å; F1119-I1123 PolarHBondContact O-N 2.8Å; I1121-I1123 PolarHBondContact O-N 2.9Å; I1123-S1125 PolarHBondContact O-N 3.32Å; I1123-S1125 VanDerWaalsContact O-N 3.08Å; I1123-N1126 PolarHBondContact O-N 3.45Å; I1123-M1133 HydrophobicContact CD1-CE 4.49Å; I1123-M1133 HydrophobicContact CD1-SD 3.83Å; I1123-M1133 HydrophobicContact CG1-SD 4.24Å; I1123-M1133 HydrophobicContact CG2-SD 4.27Å; I1123-T1137 HydrophobicContact CB-CG2 4.4Å; I1123-T1137 HydrophobicContact CD1-CG2 4.32Å; I1123-T1137 HydrophobicContact CG2-CG2 3.78Å |
| 1124 | G | 53.9 | Low | 60.1 | Low | 1 Ų | 1 | 45.5 Ų | 45.5 | 1% | 0.01 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -62.7 | -13.3 | -176.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | L1120 I1121 N1190 | L1120-G1124 PolarHBondContact O-N 3.41Å; L1120-G1124 VanDerWaalsContact O-N 3.08Å; I1121-G1124 PolarHBondContact O-N 3.36Å; I1121-G1124 VanDerWaalsContact O-N 3.12Å; G1124-N1190 PolarHBondContact O-N 3.45Å; G1124-N1190 VanDerWaalsContact O-N 3.14Å |
| 1125 | S | 51.5 | Low | 59.5 | Low | 37 Ų | 37 | 49.7 Ų | 49.7 | 26% | 0.259 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | -12.4 | 179.9 | 62.9 | 0 | 0 | 0 | 0 | 115.3 | I1121 R1122 I1123 | I1121-S1125 WeakPolarHBondContact O-CB 3.42Å; I1121-S1125 PolarHBondContact O-N 3.15Å; I1121-S1125 PolarHBondContact O-OG 3.45Å; R1122-S1125 PolarHBondContact O-OG 3.17Å; I1123-S1125 PolarHBondContact O-N 3.32Å; I1123-S1125 VanDerWaalsContact O-N 3.08Å |
| 1126 | N | 48.9 | Very low | 59.1 | Low | 23 Ų | 23 | 49.7 Ų | 49.7 | 12% | 0.123 | 25% | 0.252 | C | S | . | . | trans | -91.4 | 115.6 | -177.1 | -76.9 | -73.7 | 0 | 0 | 0 | 111.4 | R1122 I1123 T1128 V1129 | R1122-N1126 PolarHBondContact O-ND2 3.18Å; I1123-N1126 PolarHBondContact O-N 3.45Å; N1126-T1128 PolarHBondContact O-N 3.42Å; N1126-T1128 VanDerWaalsContact O-N 3.12Å; N1126-V1129 HydrophobicContact CB-CG2 3.62Å; N1126-V1129 WeakPolarHBondContact O-CG2 3.29Å | ||
| 1127 | N | 45.2 | Very low | 58.8 | Low | 118 Ų | 118 | 49 Ų | 49 | 63% | 0.631 | 25% | 0.248 | S | C | * | . | S | Bend | trans | -77.4 | 13.2 | 177.7 | -74.7 | -20.3 | 0 | 0 | 0 | 114.4 | T1188 | N1127-T1188 PolarHBondContact ND2-OG1 3.15Å; N1127-T1188 PolarHBondContact OD1-OG1 3.42Å |
| 1128 | T | 45.9 | Very low | 58.6 | Low | 108 Ų | 108 | 51.4 Ų | 51.4 | 66% | 0.663 | 27% | 0.265 | S | S | * | . | trans | -135.4 | 56.4 | -177.1 | 64.2 | 0 | 0 | 0 | 0 | 110.9 | N1126 | N1126-T1128 PolarHBondContact O-N 3.42Å; N1126-T1128 VanDerWaalsContact O-N 3.12Å | ||
| 1129 | V | 47.9 | Very low | 58.4 | Low | 38 Ų | 38 | 50.3 Ų | 50.3 | 23% | 0.23 | 26% | 0.263 | C | S | . | . | trans | -109.9 | 121.9 | -171.3 | 170.9 | 0 | 0 | 0 | 0 | 110.7 | N1126 M1133 Q1134 | N1126-V1129 HydrophobicContact CB-CG2 3.62Å; N1126-V1129 WeakPolarHBondContact O-CG2 3.29Å; V1129-M1133 HydrophobicContact CG1-CB 3.33Å; V1129-M1133 HydrophobicContact CG1-CG 4.27Å; V1129-Q1134 HydrophobicContact CG1-CG 4.28Å | ||
| 1130 | D | 53.5 | Low | 58.4 | Low | 99 Ų | 99 | 50.6 Ų | 50.6 | 53% | 0.529 | 27% | 0.265 | S | S | . | . | trans | -65 | 154.3 | 176.9 | -71.6 | -65.4 | 0 | 0 | 0 | 112.9 | L1045 S1132 M1133 Q1134 | L1045-D1130 HydrophobicContact CD2-CB 4.39Å; D1130-S1132 PolarHBondContact O-N 3Å; D1130-M1133 PolarHBondContact O-N 3.25Å; D1130-Q1134 PolarHBondContact O-N 3.33Å | ||
| 1131 | K | 56.8 | Low | 58.7 | Low | 170 Ų | 170 | 50.8 Ų | 50.8 | 74% | 0.739 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -52.7 | -31.8 | -178 | -73.6 | -177.1 | 174.6 | -179.7 | 0 | 114 | Q1134 Q1135 | K1131-Q1134 PolarHBondContact O-N 3.29Å; K1131-Q1135 WeakPolarHBondContact O-CG 3.43Å; K1131-Q1135 PolarHBondContact O-N 2.9Å |
| 1132 | S | 55.9 | Low | 59 | Low | 28 Ų | 28 | 53.5 Ų | 53.5 | 20% | 0.196 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -64.5 | -40.1 | 178.2 | 47.5 | 0 | 0 | 0 | 0 | 112.8 | L1045 D1130 Q1135 F1136 | L1045-S1132 WeakPolarHBondContact CD2-OG 3.29Å; D1130-S1132 PolarHBondContact O-N 3Å; S1132-Q1135 PolarHBondContact O-N 3.04Å; S1132-F1136 PolarHBondContact O-N 3.3Å |
| 1133 | M | 54.7 | Low | 59.4 | Low | 38 Ų | 38 | 49.5 Ų | 49.5 | 19% | 0.187 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -69 | -36.8 | 174.8 | -94.5 | -74.5 | -175.7 | 0 | 0 | 111.8 | L1048 I1123 V1129 D1130 F1136 T1137 | L1048-M1133 HydrophobicContact CD1-CE 3.84Å; L1048-M1133 HydrophobicContact CD1-SD 4.41Å; L1048-M1133 HydrophobicContact CD2-CB 4.2Å; L1048-M1133 HydrophobicContact CD2-CE 4.26Å; L1048-M1133 HydrophobicContact CD2-CG 3.64Å; L1048-M1133 HydrophobicContact CD2-SD 3.86Å; I1123-M1133 HydrophobicContact CD1-CE 4.49Å; I1123-M1133 HydrophobicContact CD1-SD 3.83Å; I1123-M1133 HydrophobicContact CG1-SD 4.24Å; I1123-M1133 HydrophobicContact CG2-SD 4.27Å; V1129-M1133 HydrophobicContact CG1-CB 3.33Å; V1129-M1133 HydrophobicContact CG1-CG 4.27Å; D1130-M1133 PolarHBondContact O-N 3.25Å; M1133-F1136 WeakPolarHBondContact O-CB 3.5Å; M1133-F1136 PolarHBondContact O-N 3.24Å; M1133-T1137 PolarHBondContact O-N 3.05Å; M1133-T1137 PolarHBondContact O-OG1 3.28Å |
| 1134 | Q | 60.7 | Low | 60.2 | Low | 67 Ų | 67 | 49.3 Ų | 49.3 | 31% | 0.313 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -62.9 | -43.7 | 172.3 | -70 | -172.1 | -51.2 | 0 | 0 | 111.6 | V1129 D1130 K1131 F1136 T1137 S1138 | V1129-Q1134 HydrophobicContact CG1-CG 4.28Å; D1130-Q1134 PolarHBondContact O-N 3.33Å; K1131-Q1134 PolarHBondContact O-N 3.29Å; Q1134-F1136 VanDerWaalsContact C-N 3.33Å; Q1134-F1136 PolarHBondContact O-N 2.94Å; Q1134-T1137 WeakPolarHBondContact CA-OG1 3.36Å; Q1134-T1137 PolarHBondContact O-N 3.42Å; Q1134-T1137 PolarHBondContact O-OG1 3.38Å; Q1134-S1138 PolarHBondContact O-N 2.88Å |
| 1135 | Q | 64.2 | Low | 61.3 | Low | 128 Ų | 128 | 50.7 Ų | 50.7 | 60% | 0.598 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -60.4 | -40 | 173.4 | -74.5 | 173.2 | -28.5 | 0 | 0 | 112.4 | K1131 S1132 S1138 A1139 | K1131-Q1135 WeakPolarHBondContact O-CG 3.43Å; K1131-Q1135 PolarHBondContact O-N 2.9Å; S1132-Q1135 PolarHBondContact O-N 3.04Å; Q1135-S1138 PolarHBondContact O-N 3.42Å; Q1135-A1139 WeakPolarHBondContact O-CB 3.5Å; Q1135-A1139 PolarHBondContact O-N 3.26Å |
| 1136 | F | 63.8 | Low | 62.4 | Low | 4 Ų | 4 | 51.1 Ų | 51.1 | 2% | 0.018 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61.1 | -47.1 | 174.2 | -178.3 | -78.1 | 0 | 0 | 0 | 111.5 | L1048 L1051 T1052 L1055 L1088 F1119 S1132 M1133 Q1134 A1139 L1140 | L1048-F1136 HydrophobicContact CD2-CB 3.95Å; L1048-F1136 HydrophobicContact CD2-CG 4.43Å; L1048-F1136 HydrophobicContact CG-CB 4.48Å; L1048-F1136 HydrophobicContact CG-CD2 4.17Å; L1051-F1136 HydrophobicContact CB-CE2 4.2Å; T1052-F1136 WeakPolarHBondContact OG1-CD2 3.44Å; L1055-F1136 HydrophobicContact CD1-CE1 4.48Å; L1055-F1136 HydrophobicContact CD1-CE2 3.78Å; L1055-F1136 HydrophobicContact CD1-CZ 3.42Å; L1055-F1136 VanDerWaalsContact CD1-CZ 3.42Å; L1088-F1136 HydrophobicContact CD1-CZ 4.35Å; F1119-F1136 AromaticContact CE1-CE1 3.77Å; F1119-F1136 HydrophobicContact CE1-CE1 3.77Å; F1119-F1136 HydrophobicContact CE1-CZ 4.43Å; F1119-F1136 AromaticContact CZ-CE1 3.61Å; F1119-F1136 HydrophobicContact CZ-CE1 3.61Å; F1119-F1136 HydrophobicContact CZ-CZ 4.13Å; S1132-F1136 PolarHBondContact O-N 3.3Å; M1133-F1136 WeakPolarHBondContact O-CB 3.5Å; M1133-F1136 PolarHBondContact O-N 3.24Å; Q1134-F1136 VanDerWaalsContact C-N 3.33Å; Q1134-F1136 PolarHBondContact O-N 2.94Å; F1136-A1139 PolarHBondContact O-N 3.31Å; F1136-L1140 HydrophobicContact CE1-CD1 4.17Å; F1136-L1140 WeakPolarHBondContact O-CB 3.33Å; F1136-L1140 PolarHBondContact O-N 3.05Å; F1136-L1140 VanDerWaalsContact O-N 3.09Å |
| 1137 | T | 63.9 | Low | 63.6 | Low | 5 Ų | 5 | 50.1 Ų | 50.1 | 3% | 0.031 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -65.9 | -38 | 177.2 | 47.1 | 0 | 0 | 0 | 0 | 113.4 | I1123 M1133 Q1134 L1140 C1141 | I1123-T1137 HydrophobicContact CB-CG2 4.4Å; I1123-T1137 HydrophobicContact CD1-CG2 4.32Å; I1123-T1137 HydrophobicContact CG2-CG2 3.78Å; M1133-T1137 PolarHBondContact O-N 3.05Å; M1133-T1137 PolarHBondContact O-OG1 3.28Å; Q1134-T1137 WeakPolarHBondContact CA-OG1 3.36Å; Q1134-T1137 PolarHBondContact O-N 3.42Å; Q1134-T1137 PolarHBondContact O-OG1 3.38Å; T1137-L1140 PolarHBondContact O-N 2.94Å; T1137-C1141 PolarHBondContact O-N 3.29Å; T1137-C1141 PolarHBondContact O-SG 2.83Å |
| 1138 | S | 67.7 | Low | 65 | Low | 51 Ų | 51 | 44.7 Ų | 44.7 | 36% | 0.357 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -62.6 | -53.6 | 173.9 | 127.7 | 0 | 0 | 0 | 0 | 110 | Q1134 Q1135 L1140 C1141 D1142 | Q1134-S1138 PolarHBondContact O-N 2.88Å; Q1135-S1138 PolarHBondContact O-N 3.42Å; S1138-L1140 PolarHBondContact O-N 3.41Å; S1138-L1140 VanDerWaalsContact O-N 3.09Å; S1138-C1141 CarbonylContact O-C 3.54Å; S1138-C1141 WeakPolarHBondContact O-CA 3.43Å; S1138-C1141 PolarHBondContact O-N 3.38Å; S1138-D1142 WeakPolarHBondContact O-CB 3.4Å; S1138-D1142 PolarHBondContact O-N 3.43Å; S1138-D1142 PolarHBondContact OG-OD2 3.23Å |
| 1139 | A | 67.8 | Low | 66.3 | Low | 11 Ų | 11 | 42.7 Ų | 42.7 | 9% | 0.091 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -59 | -29.1 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | T1052 Q1135 F1136 G1143 | T1052-A1139 HydrophobicContact CG2-CB 3.46Å; T1052-A1139 VanDerWaalsContact CG2-CB 3.46Å; Q1135-A1139 WeakPolarHBondContact O-CB 3.5Å; Q1135-A1139 PolarHBondContact O-N 3.26Å; F1136-A1139 PolarHBondContact O-N 3.31Å; A1139-G1143 PolarHBondContact O-N 3.33Å |
| 1140 | L | 70.6 | Confident | 67.2 | Low | 16 Ų | 16 | 45.4 Ų | 45.4 | 8% | 0.084 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -77.5 | -39.6 | 174.4 | -167.4 | 140.5 | 0 | 0 | 0 | 112.4 | L1055 L1120 F1136 T1137 S1138 G1143 I1144 | L1055-L1140 HydrophobicContact CD1-CD1 4.37Å; L1120-L1140 HydrophobicContact CD2-CD2 3.92Å; F1136-L1140 HydrophobicContact CE1-CD1 4.17Å; F1136-L1140 WeakPolarHBondContact O-CB 3.33Å; F1136-L1140 PolarHBondContact O-N 3.05Å; F1136-L1140 VanDerWaalsContact O-N 3.09Å; T1137-L1140 PolarHBondContact O-N 2.94Å; S1138-L1140 PolarHBondContact O-N 3.41Å; S1138-L1140 VanDerWaalsContact O-N 3.09Å; L1140-G1143 PolarHBondContact O-N 3.3Å; L1140-I1144 HydrophobicContact CD2-CD1 3.75Å; L1140-I1144 VanDerWaalsContact O-CG1 3.29Å; L1140-I1144 WeakPolarHBondContact O-CG1 3.37Å; L1140-I1144 PolarHBondContact O-N 3.16Å |
| 1141 | C | 73.1 | Confident | 67.3 | Low | 7 Ų | 7 | 45 Ų | 45 | 5% | 0.047 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -65.9 | -39 | 170.4 | -70.7 | 0 | 0 | 0 | 0 | 112.6 | T1137 S1138 T1145 | T1137-C1141 PolarHBondContact O-N 3.29Å; T1137-C1141 PolarHBondContact O-SG 2.83Å; S1138-C1141 CarbonylContact O-C 3.54Å; S1138-C1141 WeakPolarHBondContact O-CA 3.43Å; S1138-C1141 PolarHBondContact O-N 3.38Å; C1141-T1145 WeakPolarHBondContact O-CB 3.19Å; C1141-T1145 PolarHBondContact O-N 3.19Å; C1141-T1145 PolarHBondContact O-OG1 2.89Å |
| 1142 | D | 72 | Confident | 67.1 | Low | 72 Ų | 72 | 40.5 Ų | 40.5 | 39% | 0.385 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -63.6 | -45.3 | 174.2 | -65.7 | -42.1 | 0 | 0 | 0 | 110.2 | S1138 T1145 T1146 | S1138-D1142 WeakPolarHBondContact O-CB 3.4Å; S1138-D1142 PolarHBondContact O-N 3.43Å; S1138-D1142 PolarHBondContact OG-OD2 3.23Å; D1142-T1145 CarbonylContact O-C 3.42Å; D1142-T1145 WeakPolarHBondContact O-CA 3.35Å; D1142-T1145 WeakPolarHBondContact O-CB 3.5Å; D1142-T1145 PolarHBondContact O-N 3.42Å; D1142-T1145 VanDerWaalsContact O-N 3.11Å; D1142-T1146 PolarHBondContact O-N 3.08Å; D1142-T1146 PolarHBondContact O-OG1 2.73Å |
| 1143 | G | 71.2 | Confident | 66.4 | Low | 1 Ų | 1 | 45.3 Ų | 45.3 | 1% | 0.01 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -62.3 | -44.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | A1139 L1140 T1145 T1146 C1147 | A1139-G1143 PolarHBondContact O-N 3.33Å; L1140-G1143 PolarHBondContact O-N 3.3Å; G1143-T1145 PolarHBondContact O-N 3.44Å; G1143-T1146 WeakPolarHBondContact CA-OG1 3.42Å; G1143-T1146 PolarHBondContact O-N 3.39Å; G1143-T1146 PolarHBondContact O-OG1 2.97Å; G1143-C1147 PolarHBondContact O-N 3.25Å; G1143-C1147 PolarHBondContact O-SG 2.95Å |
| 1144 | I | 75.1 | Confident | 65.6 | Low | 13 Ų | 13 | 49.3 Ų | 49.3 | 7% | 0.067 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -59.1 | -40.6 | 171.5 | -69.6 | 167.4 | 0 | 0 | 0 | 110.1 | L1140 C1147 L1148 L1166 | L1140-I1144 HydrophobicContact CD2-CD1 3.75Å; L1140-I1144 VanDerWaalsContact O-CG1 3.29Å; L1140-I1144 WeakPolarHBondContact O-CG1 3.37Å; L1140-I1144 PolarHBondContact O-N 3.16Å; I1144-C1147 PolarHBondContact O-N 2.87Å; I1144-L1148 HydrophobicContact CG2-CD1 3.75Å; I1144-L1148 HydrophobicContact CG2-CG 4.38Å; I1144-L1148 WeakPolarHBondContact O-CB 3.46Å; I1144-L1148 VanDerWaalsContact O-CG 3.25Å; I1144-L1148 WeakPolarHBondContact O-CG 3.49Å; I1144-L1148 PolarHBondContact O-N 3.19Å; I1144-L1166 HydrophobicContact CG1-CD2 4.31Å |
| 1145 | T | 76.6 | Confident | 64.8 | Low | 31 Ų | 31 | 50.1 Ų | 50.1 | 19% | 0.19 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -67.4 | -38.2 | 179.3 | -56.4 | 0 | 0 | 0 | 0 | 112.5 | C1141 D1142 G1143 L1148 S1149 N1196 C1199 | C1141-T1145 WeakPolarHBondContact O-CB 3.19Å; C1141-T1145 PolarHBondContact O-N 3.19Å; C1141-T1145 PolarHBondContact O-OG1 2.89Å; D1142-T1145 CarbonylContact O-C 3.42Å; D1142-T1145 WeakPolarHBondContact O-CA 3.35Å; D1142-T1145 WeakPolarHBondContact O-CB 3.5Å; D1142-T1145 PolarHBondContact O-N 3.42Å; D1142-T1145 VanDerWaalsContact O-N 3.11Å; G1143-T1145 PolarHBondContact O-N 3.44Å; T1145-L1148 PolarHBondContact O-N 2.88Å; T1145-S1149 WeakPolarHBondContact O-CB 3.31Å; T1145-S1149 PolarHBondContact O-N 2.86Å; T1145-S1149 PolarHBondContact O-OG 2.88Å; T1145-N1196 HydrophobicContact CG2-CB 3.81Å; T1145-C1199 HydrophobicContact CG2-CB 4.31Å |
| 1146 | T | 74.6 | Confident | 64 | Low | 46 Ų | 46 | 47.5 Ų | 47.5 | 28% | 0.282 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -72.7 | -33.3 | 175.3 | 49.7 | 0 | 0 | 0 | 0 | 113.2 | D1142 G1143 S1149 H1150 | D1142-T1146 PolarHBondContact O-N 3.08Å; D1142-T1146 PolarHBondContact O-OG1 2.73Å; G1143-T1146 WeakPolarHBondContact CA-OG1 3.42Å; G1143-T1146 PolarHBondContact O-N 3.39Å; G1143-T1146 PolarHBondContact O-OG1 2.97Å; T1146-S1149 PolarHBondContact O-N 2.96Å; T1146-S1149 PolarHBondContact O-OG 3.16Å; T1146-H1150 PolarHBondContact O-N 3.34Å; T1146-H1150 PolarHBondContact O-ND1 3.01Å |
| 1147 | C | 73.8 | Confident | 63.6 | Low | 1 Ų | 1 | 53.5 Ų | 53.5 | 1% | 0.007 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -67.3 | -34.1 | 170.7 | -66.2 | 0 | 0 | 0 | 0 | 112.6 | L1059 G1143 I1144 F1162 Q1163 L1166 | L1059-C1147 PolarHBondContact O-SG 2.92Å; G1143-C1147 PolarHBondContact O-N 3.25Å; G1143-C1147 PolarHBondContact O-SG 2.95Å; I1144-C1147 PolarHBondContact O-N 2.87Å; C1147-F1162 HydrophobicContact CB-CE1 4.46Å; C1147-Q1163 PolarHBondContact O-NE2 3.21Å; C1147-L1166 HydrophobicContact CB-CD1 3.84Å |
| 1148 | L | 75.5 | Confident | 63.1 | Low | 5 Ų | 5 | 55.8 Ų | 55.8 | 3% | 0.026 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -82.2 | -17.4 | 176.7 | -68.2 | 172.4 | 0 | 0 | 0 | 113.7 | I1144 T1145 L1166 L1167 L1170 A1200 R1203 | I1144-L1148 HydrophobicContact CG2-CD1 3.75Å; I1144-L1148 HydrophobicContact CG2-CG 4.38Å; I1144-L1148 WeakPolarHBondContact O-CB 3.46Å; I1144-L1148 VanDerWaalsContact O-CG 3.25Å; I1144-L1148 WeakPolarHBondContact O-CG 3.49Å; I1144-L1148 PolarHBondContact O-N 3.19Å; T1145-L1148 PolarHBondContact O-N 2.88Å; L1148-L1166 HydrophobicContact CD2-CB 4.22Å; L1148-L1166 HydrophobicContact CD2-CD1 4.48Å; L1148-L1167 HydrophobicContact CD2-CD2 4.02Å; L1148-L1167 HydrophobicContact CD2-CG 4.44Å; L1148-L1170 HydrophobicContact CD1-CD1 4.19Å; L1148-A1200 HydrophobicContact CD1-CB 4.33Å; L1148-R1203 HydrophobicContact CD2-CB 4.33Å; L1148-R1203 HydrophobicContact CD2-CG 3.79Å; L1148-R1203 PolarHBondContact O-NE 3.28Å; L1148-R1203 PolarHBondContact O-NH2 3.37Å |
| 1149 | S | 73.4 | Confident | 63 | Low | 66 Ų | 66 | 54.3 Ų | 54.3 | 46% | 0.462 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -88.1 | -27.1 | 178.5 | 69.9 | 0 | 0 | 0 | 0 | 114.3 | T1145 T1146 S1151 R1203 | T1145-S1149 WeakPolarHBondContact O-CB 3.31Å; T1145-S1149 PolarHBondContact O-N 2.86Å; T1145-S1149 PolarHBondContact O-OG 2.88Å; T1146-S1149 PolarHBondContact O-N 2.96Å; T1146-S1149 PolarHBondContact O-OG 3.16Å; S1149-S1151 PolarHBondContact O-N 3.32Å; S1149-R1203 VanDerWaalsContact C-NH2 3.34Å; S1149-R1203 PolarHBondContact O-NH2 2.9Å |
| 1150 | H | 66.8 | Low | 63 | Low | 94 Ų | 94 | 55.6 Ų | 55.6 | 44% | 0.435 | 33% | 0.331 | S | S | . | . | trans | -57.2 | 124.2 | -176.7 | -97.1 | 71 | 0 | 0 | 0 | 114.6 | L1063 T1146 R1203 | L1063-H1150 HydrophobicContact CD2-CB 4.2Å; T1146-H1150 PolarHBondContact O-N 3.34Å; T1146-H1150 PolarHBondContact O-ND1 3.01Å; H1150-R1203 VanDerWaalsContact O-CZ 3.24Å; H1150-R1203 PolarHBondContact O-NH1 3.11Å; H1150-R1203 PolarHBondContact O-NH2 2.87Å | ||
| 1151 | S | 56.2 | Low | 63 | Low | 92 Ų | 92 | 58.6 Ų | 58.6 | 64% | 0.643 | 34% | 0.342 | S | S | * | . | trans | -78.4 | 139.5 | 178.3 | 51.4 | 0 | 0 | 0 | 0 | 112.3 | S1149 N1153 | S1149-S1151 PolarHBondContact O-N 3.32Å; S1151-N1153 PolarHBondContact O-N 3.15Å | ||
| 1152 | V | 51.7 | Low | 63 | Low | 75 Ų | 75 | 58.8 Ų | 58.8 | 46% | 0.455 | 34% | 0.342 | S | S | . | . | trans | -82.7 | 101.9 | -177.6 | -176.9 | 0 | 0 | 0 | 0 | 110.9 | S1154 | V1152-S1154 VanDerWaalsContact C-N 3.31Å; V1152-S1154 PolarHBondContact O-N 3.49Å; V1152-S1154 VanDerWaalsContact O-N 3.08Å | ||
| 1153 | N | 42 | Very low | 63.3 | Low | 128 Ų | 128 | 55.4 Ų | 55.4 | 68% | 0.684 | 32% | 0.324 | S | S | * | . | trans | -81 | 78.8 | 167.3 | -74.7 | -1.4 | 0 | 0 | 0 | 110.4 | S1151 S1155 | S1151-N1153 PolarHBondContact O-N 3.15Å; N1153-S1155 VanDerWaalsContact C-N 3.31Å; N1153-S1155 PolarHBondContact O-N 3.5Å; N1153-S1155 PolarHBondContact O-OG 3.07Å | ||
| 1154 | S | 37.2 | Very low | 63.5 | Low | 123 Ų | 123 | 58 Ų | 58 | 86% | 0.86 | 33% | 0.334 | S | S | * | . | S | Bend | trans | 49.4 | 1.7 | 151.3 | 59.1 | 0 | 0 | 0 | 0 | 123.2 | V1152 | V1152-S1154 VanDerWaalsContact C-N 3.31Å; V1152-S1154 PolarHBondContact O-N 3.49Å; V1152-S1154 VanDerWaalsContact O-N 3.08Å |
| 1155 | S | 43.1 | Very low | 63.6 | Low | 84 Ų | 84 | 57.5 Ų | 57.5 | 59% | 0.587 | 33% | 0.332 | S | S | * | . | S | Bend | trans | -131.1 | -0.3 | -173.1 | 51.7 | 0 | 0 | 0 | 0 | 118.1 | N1153 | N1153-S1155 VanDerWaalsContact C-N 3.31Å; N1153-S1155 PolarHBondContact O-N 3.5Å; N1153-S1155 PolarHBondContact O-OG 3.07Å |
| 1156 | H | 48.9 | Very low | 63.9 | Low | 73 Ų | 73 | 56.4 Ų | 56.4 | 34% | 0.338 | 33% | 0.325 | S | S | . | . | trans | -129.7 | 124.1 | -172.3 | -56.3 | -73.8 | 0 | 0 | 0 | 113.3 | C1067 | C1067-H1156 PolarHBondContact O-CE1 3.4Š| ||
| 1157 | T | 53.9 | Low | 64.4 | Low | 130 Ų | 130 | 54.2 Ų | 54.2 | 80% | 0.798 | 31% | 0.311 | S | S | * | . | S | Bend | trans | -89.4 | -24.7 | -170.4 | 45.4 | 0 | 0 | 0 | 0 | 115.1 | P1160 | T1157-P1160 WeakPolarHBondContact O-CD 3.27Š|
| 1158 | E | 54.8 | Low | 64.8 | Low | 53 Ų | 53 | 56.6 Ų | 56.6 | 25% | 0.248 | 32% | 0.323 | C | S | . | . | S | Bend | trans | -89.4 | -25 | -171.7 | -54.6 | -155.9 | 107.9 | 0 | 0 | 113.7 | F1072 R1161 F1162 | F1072-E1158 HydrophobicContact CB-CB 4.18Å; F1072-E1158 HydrophobicContact CB-CG 4.36Å; F1072-E1158 VanDerWaalsContact CB-OE1 3.28Å; F1072-E1158 WeakPolarHBondContact CB-OE1 3.34Å; F1072-E1158 VanDerWaalsContact CB-OE2 3.28Å; F1072-E1158 WeakPolarHBondContact CB-OE2 3.36Å; F1072-E1158 PolarHBondContact N-OE2 3.17Å; F1072-E1158 VanDerWaalsContact N-OE2 3.11Å; E1158-R1161 WeakPolarHBondContact O-CB 3.21Å; E1158-R1161 PolarHBondContact O-N 3.24Å; E1158-F1162 PolarHBondContact O-N 2.97Å |
| 1159 | L | 64.6 | Low | 65.1 | Low | 19 Ų | 19 | 56.5 Ų | 56.5 | 10% | 0.099 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -55.1 | -41.6 | 179.5 | -179.3 | 64.7 | 0 | 0 | 0 | 114.2 | L1063 R1161 F1162 Q1163 | L1063-L1159 HydrophobicContact CD2-CD1 3.75Å; L1063-L1159 HydrophobicContact CD2-CD2 4.44Å; L1159-R1161 PolarHBondContact O-N 2.92Å; L1159-F1162 PolarHBondContact O-N 3.25Å; L1159-Q1163 WeakPolarHBondContact O-CG 3.44Å; L1159-Q1163 PolarHBondContact O-N 2.84Å; L1159-Q1163 VanDerWaalsContact O-N 3.09Å |
| 1160 | P | 68.5 | Low | 65.6 | Low | 39 Ų | 39 | 53.5 Ų | 53.5 | 25% | 0.253 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -60.1 | -31.2 | 174.1 | -24.8 | 35.6 | 0 | 0 | 0 | 113.7 | T1157 Q1163 K1164 L1207 | T1157-P1160 WeakPolarHBondContact O-CD 3.27Å; P1160-Q1163 PolarHBondContact O-N 3.16Å; P1160-K1164 WeakPolarHBondContact O-CG 3.27Å; P1160-K1164 PolarHBondContact O-N 3.12Å; P1160-L1207 HydrophobicContact CB-CD2 3.95Å |
| 1161 | R | 70 | Confident | 66.5 | Low | 79 Ų | 79 | 50.3 Ų | 50.3 | 30% | 0.298 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -70.3 | -45.5 | 179.4 | -165.5 | 174.5 | -168.5 | 136 | 11.3 | 111 | F1072 Y1105 E1109 E1158 L1159 Q1163 K1164 I1165 | F1072-R1161 HydrophobicContact CE1-CG 4.42Å; Y1105-R1161 PolarHBondContact OH-NE 3.47Å; E1109-R1161 WeakPolarHBondContact OE1-CG 3.31Å; E1109-R1161 IonicContact OE1-CZ 3.21Å; E1109-R1161 IonicContact OE1-NE 3.97Å; E1109-R1161 PolarHBondContact OE1-NE 3.37Å; E1109-R1161 IonicContact OE1-NH2 3.23Å; E1109-R1161 IonicContact OE2-CZ 2.77Å; E1109-R1161 IonicContact OE2-NE 3.45Å; E1109-R1161 PolarHBondContact OE2-NE 3.07Å; E1109-R1161 IonicContact OE2-NH2 2.93Å; E1109-R1161 PolarHBondContact OE2-NH2 3.48Å; E1158-R1161 WeakPolarHBondContact O-CB 3.21Å; E1158-R1161 PolarHBondContact O-N 3.24Å; L1159-R1161 PolarHBondContact O-N 2.92Å; R1161-Q1163 VanDerWaalsContact C-N 3.3Å; R1161-Q1163 PolarHBondContact O-N 3.48Å; R1161-K1164 WeakPolarHBondContact O-CB 3.34Å; R1161-K1164 PolarHBondContact O-N 3.18Å; R1161-K1164 VanDerWaalsContact O-N 3.15Å; R1161-I1165 PolarHBondContact O-N 3.04Å |
| 1162 | F | 73.3 | Confident | 67.6 | Low | 11 Ų | 11 | 46.1 Ų | 46.1 | 5% | 0.048 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -58.4 | -42.1 | 171.8 | -176.2 | -126.2 | 0 | 0 | 0 | 112.1 | L1059 F1072 W1075 C1147 E1158 L1159 K1164 I1165 L1166 | L1059-F1162 HydrophobicContact CD2-CZ 4.01Å; F1072-F1162 HydrophobicContact CE2-CB 3.75Å; F1072-F1162 HydrophobicContact CE2-CD2 4.03Å; F1072-F1162 HydrophobicContact CE2-CG 4.15Å; F1072-F1162 HydrophobicContact CZ-CB 3.82Å; F1072-F1162 AromaticContact CZ-CD2 4Å; F1072-F1162 HydrophobicContact CZ-CD2 4Å; F1072-F1162 HydrophobicContact CZ-CG 4.33Å; W1075-F1162 HydrophobicContact CH2-CD2 4.03Å; W1075-F1162 AromaticContact CH2-CE2 3.58Å; W1075-F1162 HydrophobicContact CH2-CE2 3.58Å; W1075-F1162 AromaticContact CH2-CZ 3.95Å; W1075-F1162 HydrophobicContact CH2-CZ 3.95Å; W1075-F1162 AromaticContact CZ3-CD2 3.9Å; W1075-F1162 HydrophobicContact CZ3-CD2 3.9Å; W1075-F1162 AromaticContact CZ3-CE2 3.87Å; W1075-F1162 HydrophobicContact CZ3-CE2 3.87Å; C1147-F1162 HydrophobicContact CB-CE1 4.46Å; E1158-F1162 PolarHBondContact O-N 2.97Å; L1159-F1162 PolarHBondContact O-N 3.25Å; F1162-K1164 PolarHBondContact O-N 2.92Å; F1162-I1165 PolarHBondContact O-N 2.62Å; F1162-L1166 HydrophobicContact CD1-CD1 4.23Å; F1162-L1166 HydrophobicContact CE1-CD1 3.83Å; F1162-L1166 HydrophobicContact CE1-CG 4.39Å; F1162-L1166 HydrophobicContact CE2-CD2 4.39Å; F1162-L1166 HydrophobicContact CE2-CG 4.36Å; F1162-L1166 HydrophobicContact CZ-CD1 4.05Å; F1162-L1166 HydrophobicContact CZ-CD2 4.2Å; F1162-L1166 HydrophobicContact CZ-CG 4.2Å; F1162-L1166 PolarHBondContact O-N 2.96Å |
| 1163 | Q | 77.1 | Confident | 69 | Low | 1 Ų | 1 | 42.9 Ų | 42.9 | 1% | 0.005 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -65.5 | -32.9 | 176.8 | -68.7 | 178 | -20.5 | 0 | 0 | 112.9 | C1147 L1159 P1160 R1161 L1166 L1167 R1203 L1207 | C1147-Q1163 PolarHBondContact O-NE2 3.21Å; L1159-Q1163 WeakPolarHBondContact O-CG 3.44Å; L1159-Q1163 PolarHBondContact O-N 2.84Å; L1159-Q1163 VanDerWaalsContact O-N 3.09Å; P1160-Q1163 PolarHBondContact O-N 3.16Å; R1161-Q1163 VanDerWaalsContact C-N 3.3Å; R1161-Q1163 PolarHBondContact O-N 3.48Å; Q1163-L1166 PolarHBondContact O-N 3.12Å; Q1163-L1167 WeakPolarHBondContact O-CG 3.35Å; Q1163-L1167 PolarHBondContact O-N 3.41Å; Q1163-L1167 VanDerWaalsContact O-N 3.14Å; Q1163-R1203 VanDerWaalsContact NE2-NH1 3.19Å; Q1163-L1207 HydrophobicContact CB-CD1 3.79Å |
| 1164 | K | 77.2 | Confident | 71 | Confident | 54 Ų | 54 | 36.9 Ų | 36.9 | 24% | 0.235 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -59.4 | -48 | 170.2 | -72.6 | 179.9 | -178.2 | -169.2 | 0 | 111.7 | P1160 R1161 F1162 L1166 L1167 E1168 D1439 | P1160-K1164 WeakPolarHBondContact O-CG 3.27Å; P1160-K1164 PolarHBondContact O-N 3.12Å; R1161-K1164 WeakPolarHBondContact O-CB 3.34Å; R1161-K1164 PolarHBondContact O-N 3.18Å; R1161-K1164 VanDerWaalsContact O-N 3.15Å; F1162-K1164 PolarHBondContact O-N 2.92Å; K1164-L1166 VanDerWaalsContact C-N 3.33Å; K1164-L1166 PolarHBondContact O-N 3.4Å; K1164-L1167 PolarHBondContact O-N 3.43Å; K1164-E1168 PolarHBondContact O-N 3.15Å; K1164-E1168 VanDerWaalsContact O-N 3.09Å; K1164-D1439 IonicContact NZ-OD2 3.27Å; K1164-D1439 PolarHBondContact NZ-OD2 3.08Å |
| 1165 | I | 77.2 | Confident | 73.1 | Confident | 4 Ų | 4 | 32.2 Ų | 32.2 | 2% | 0.021 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -60.5 | -44.8 | 179.9 | -58.7 | 168.5 | 0 | 0 | 0 | 109.8 | F1072 L1076 E1109 C1112 R1161 F1162 L1167 E1168 T1169 | F1072-I1165 HydrophobicContact CE1-CD1 4.09Å; F1072-I1165 HydrophobicContact CZ-CD1 4.04Å; L1076-I1165 HydrophobicContact CD1-CD1 3.87Å; L1076-I1165 HydrophobicContact CD2-CD1 4.42Å; E1109-I1165 HydrophobicContact CG-CD1 3.88Å; E1109-I1165 HydrophobicContact CG-CG1 3.94Å; C1112-I1165 HydrophobicContact CB-CG2 4.1Å; R1161-I1165 PolarHBondContact O-N 3.04Å; F1162-I1165 PolarHBondContact O-N 2.62Å; I1165-L1167 VanDerWaalsContact C-N 3.35Å; I1165-L1167 PolarHBondContact O-N 3.18Å; I1165-E1168 PolarHBondContact O-N 3.49Å; I1165-E1168 VanDerWaalsContact O-N 3.07Å; I1165-T1169 WeakPolarHBondContact O-CG2 3.45Å; I1165-T1169 PolarHBondContact O-N 2.75Å |
| 1166 | L | 81.7 | Confident | 74.6 | Confident | 7 Ų | 7 | 28.5 Ų | 28.5 | 4% | 0.037 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -58.6 | -42.1 | 176.6 | -69.7 | 179.8 | 0 | 0 | 0 | 112.7 | I1144 C1147 L1148 F1162 Q1163 K1164 E1168 T1169 L1170 | I1144-L1166 HydrophobicContact CG1-CD2 4.31Å; C1147-L1166 HydrophobicContact CB-CD1 3.84Å; L1148-L1166 HydrophobicContact CD2-CB 4.22Å; L1148-L1166 HydrophobicContact CD2-CD1 4.48Å; F1162-L1166 HydrophobicContact CD1-CD1 4.23Å; F1162-L1166 HydrophobicContact CE1-CD1 3.83Å; F1162-L1166 HydrophobicContact CE1-CG 4.39Å; F1162-L1166 HydrophobicContact CE2-CD2 4.39Å; F1162-L1166 HydrophobicContact CE2-CG 4.36Å; F1162-L1166 HydrophobicContact CZ-CD1 4.05Å; F1162-L1166 HydrophobicContact CZ-CD2 4.2Å; F1162-L1166 HydrophobicContact CZ-CG 4.2Å; F1162-L1166 PolarHBondContact O-N 2.96Å; Q1163-L1166 PolarHBondContact O-N 3.12Å; K1164-L1166 VanDerWaalsContact C-N 3.33Å; K1164-L1166 PolarHBondContact O-N 3.4Å; L1166-E1168 VanDerWaalsContact C-N 3.3Å; L1166-E1168 PolarHBondContact O-N 3.27Å; L1166-T1169 PolarHBondContact O-N 3.09Å; L1166-T1169 PolarHBondContact O-OG1 2.91Å; L1166-L1170 PolarHBondContact O-N 3.35Å |
| 1167 | L | 84.8 | Confident | 76 | Confident | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -64 | -35.7 | 175.2 | -64.9 | 179.4 | 0 | 0 | 0 | 112 | L1148 Q1163 K1164 I1165 L1170 I1171 A1200 A1204 L1207 F1216 | L1148-L1167 HydrophobicContact CD2-CD2 4.02Å; L1148-L1167 HydrophobicContact CD2-CG 4.44Å; Q1163-L1167 WeakPolarHBondContact O-CG 3.35Å; Q1163-L1167 PolarHBondContact O-N 3.41Å; Q1163-L1167 VanDerWaalsContact O-N 3.14Å; K1164-L1167 PolarHBondContact O-N 3.43Å; I1165-L1167 VanDerWaalsContact C-N 3.35Å; I1165-L1167 PolarHBondContact O-N 3.18Å; L1167-L1170 HydrophobicContact CD2-CD1 4.48Å; L1167-L1170 WeakPolarHBondContact O-CB 2.98Å; L1167-L1170 PolarHBondContact O-N 2.75Å; L1167-I1171 WeakPolarHBondContact O-CG1 3.38Å; L1167-I1171 PolarHBondContact O-N 2.97Å; L1167-A1200 HydrophobicContact CD2-CB 4.07Å; L1167-A1204 HydrophobicContact CD1-CB 3.82Å; L1167-L1207 HydrophobicContact CD1-CD1 3.91Å; L1167-F1216 HydrophobicContact CB-CE2 4.29Å; L1167-F1216 HydrophobicContact CB-CZ 4.39Å; L1167-F1216 HydrophobicContact CD2-CD2 4.47Å; L1167-F1216 HydrophobicContact CD2-CE2 3.8Å; L1167-F1216 HydrophobicContact CD2-CZ 4.36Å; L1167-F1216 HydrophobicContact CG-CE2 4.46Å |
| 1168 | E | 82.2 | Confident | 77.1 | Confident | 52 Ų | 52 | 20.4 Ų | 20.4 | 24% | 0.243 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -70.5 | -32 | 175.8 | -72.2 | 176.7 | -158.8 | 0 | 0 | 113.2 | S1113 K1164 I1165 L1166 L1170 I1171 A1172 R1209 | S1113-E1168 WeakPolarHBondContact OG-CB 3.43Å; K1164-E1168 PolarHBondContact O-N 3.15Å; K1164-E1168 VanDerWaalsContact O-N 3.09Å; I1165-E1168 PolarHBondContact O-N 3.49Å; I1165-E1168 VanDerWaalsContact O-N 3.07Å; L1166-E1168 VanDerWaalsContact C-N 3.3Å; L1166-E1168 PolarHBondContact O-N 3.27Å; E1168-L1170 PolarHBondContact O-N 3.48Å; E1168-I1171 PolarHBondContact O-N 3.37Å; E1168-A1172 PolarHBondContact O-N 2.9Å; E1168-R1209 IonicContact OE1-CZ 3.54Å; E1168-R1209 VanDerWaalsContact OE1-CZ 3.23Å; E1168-R1209 IonicContact OE1-NH1 3.92Å; E1168-R1209 PolarHBondContact OE1-NH1 2.86Å; E1168-R1209 IonicContact OE1-NH2 2.86Å; E1168-R1209 PolarHBondContact OE1-NH2 3.46Å |
| 1169 | T | 81.8 | Confident | 78.1 | Confident | 2 Ų | 2 | 20.4 Ų | 20.4 | 1% | 0.012 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -58.4 | -38.2 | 169.1 | 74.3 | 0 | 0 | 0 | 0 | 111.4 | I1116 I1165 L1166 A1172 F1173 | I1116-T1169 HydrophobicContact CB-CG2 4.08Å; I1116-T1169 HydrophobicContact CD1-CG2 3.91Å; I1116-T1169 HydrophobicContact CG2-CG2 4.14Å; I1165-T1169 WeakPolarHBondContact O-CG2 3.45Å; I1165-T1169 PolarHBondContact O-N 2.75Å; L1166-T1169 PolarHBondContact O-N 3.09Å; L1166-T1169 PolarHBondContact O-OG1 2.91Å; T1169-A1172 PolarHBondContact O-N 2.76Å; T1169-F1173 VanDerWaalsContact O-CB 3.26Å; T1169-F1173 WeakPolarHBondContact O-CB 3.48Å; T1169-F1173 PolarHBondContact O-N 2.81Å |
| 1170 | L | 85.6 | Confident | 78.4 | Confident | 4 Ų | 4 | 19.9 Ų | 19.9 | 2% | 0.021 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -72.3 | -33.9 | -178.9 | -63.4 | 179.6 | 0 | 0 | 0 | 112.5 | L1148 L1166 L1167 E1168 N1174 I1195 W1197 A1200 F1216 | L1148-L1170 HydrophobicContact CD1-CD1 4.19Å; L1166-L1170 PolarHBondContact O-N 3.35Å; L1167-L1170 HydrophobicContact CD2-CD1 4.48Å; L1167-L1170 WeakPolarHBondContact O-CB 2.98Å; L1167-L1170 PolarHBondContact O-N 2.75Å; E1168-L1170 PolarHBondContact O-N 3.48Å; L1170-N1174 WeakPolarHBondContact O-CB 3.14Å; L1170-N1174 PolarHBondContact O-N 3.2Å; L1170-I1195 HydrophobicContact CD2-CD1 3.84Å; L1170-I1195 HydrophobicContact CD2-CG2 3.9Å; L1170-W1197 HydrophobicContact CB-CZ3 4.1Å; L1170-A1200 HydrophobicContact CD1-CB 3.64Å; L1170-F1216 HydrophobicContact CB-CE1 3.84Å; L1170-F1216 HydrophobicContact CB-CZ 4.11Å |
| 1171 | I | 84.5 | Confident | 78.6 | Confident | 27 Ų | 27 | 21.5 Ų | 21.5 | 14% | 0.138 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -68.2 | -46.8 | 173.7 | -61.7 | 163.9 | 0 | 0 | 0 | 110.1 | L1167 E1168 F1173 N1174 H1175 E1212 F1216 P2201 | L1167-I1171 WeakPolarHBondContact O-CG1 3.38Å; L1167-I1171 PolarHBondContact O-N 2.97Å; E1168-I1171 PolarHBondContact O-N 3.37Å; I1171-F1173 VanDerWaalsContact C-N 3.34Å; I1171-F1173 PolarHBondContact O-N 2.98Å; I1171-N1174 PolarHBondContact O-N 2.97Å; I1171-H1175 PolarHBondContact O-N 3.43Å; I1171-E1212 HydrophobicContact CD1-CG 3.68Å; I1171-F1216 HydrophobicContact CD1-CZ 4.35Å; I1171-F1216 HydrophobicContact CG1-CE1 4.12Å; I1171-F1216 HydrophobicContact CG1-CZ 3.8Å; I1171-P2201 HydrophobicContact CD1-CG 4.19Å; I1171-P2201 HydrophobicContact CG1-CG 4.45Å; I1171-P2201 HydrophobicContact CG2-CG 4.3Å |
| 1172 | A | 79.3 | Confident | 78.6 | Confident | 3 Ų | 3 | 20.4 Ų | 20.4 | 3% | 0.025 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -59.3 | -44.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | W1114 A1117 E1168 T1169 H1175 F1176 | W1114-A1172 HydrophobicContact CD2-CB 3.82Å; W1114-A1172 HydrophobicContact CE3-CB 3.59Å; W1114-A1172 HydrophobicContact CG-CB 4.47Å; W1114-A1172 HydrophobicContact CH2-CB 4.19Å; W1114-A1172 HydrophobicContact CZ2-CB 4.41Å; W1114-A1172 HydrophobicContact CZ3-CB 3.79Å; A1117-A1172 HydrophobicContact CB-CB 3.78Å; E1168-A1172 PolarHBondContact O-N 2.9Å; T1169-A1172 PolarHBondContact O-N 2.76Å; A1172-H1175 PolarHBondContact O-N 3.15Å; A1172-F1176 WeakPolarHBondContact O-CD2 3.29Å; A1172-F1176 PolarHBondContact O-N 2.65Å; A1172-F1176 VanDerWaalsContact O-N 3.14Å |
| 1173 | F | 82.3 | Confident | 78.2 | Confident | 7 Ų | 7 | 22.7 Ų | 22.7 | 3% | 0.031 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -62.7 | -44.6 | 176.3 | -178.3 | -107.1 | 0 | 0 | 0 | 112.4 | A1117 L1120 I1121 T1169 I1171 H1175 F1176 I1177 I1193 I1195 W1197 | A1117-F1173 HydrophobicContact CB-CB 4.11Å; L1120-F1173 HydrophobicContact CB-CD2 3.92Å; L1120-F1173 HydrophobicContact CB-CE2 3.69Å; L1120-F1173 HydrophobicContact CD1-CD2 3.94Å; L1120-F1173 HydrophobicContact CD1-CE2 4.19Å; L1120-F1173 HydrophobicContact CD1-CG 4.43Å; I1121-F1173 HydrophobicContact CD1-CD2 3.89Å; I1121-F1173 HydrophobicContact CD1-CE2 4.23Å; I1121-F1173 HydrophobicContact CG1-CD2 3.83Å; I1121-F1173 HydrophobicContact CG1-CE2 3.67Å; T1169-F1173 VanDerWaalsContact O-CB 3.26Å; T1169-F1173 WeakPolarHBondContact O-CB 3.48Å; T1169-F1173 PolarHBondContact O-N 2.81Å; I1171-F1173 VanDerWaalsContact C-N 3.34Å; I1171-F1173 PolarHBondContact O-N 2.98Å; F1173-H1175 PolarHBondContact O-N 2.96Å; F1173-F1176 PolarHBondContact O-N 3.31Å; F1173-I1177 HydrophobicContact CD1-CD1 3.67Å; F1173-I1177 HydrophobicContact CE1-CD1 3.33Å; F1173-I1177 HydrophobicContact CE1-CG1 4.4Å; F1173-I1177 HydrophobicContact CE2-CD1 4.46Å; F1173-I1177 HydrophobicContact CG-CD1 4.37Å; F1173-I1177 HydrophobicContact CZ-CD1 3.78Å; F1173-I1177 HydrophobicContact CZ-CG1 4.48Å; F1173-I1177 WeakPolarHBondContact O-CG1 3.15Å; F1173-I1177 PolarHBondContact O-N 2.95Å; F1173-I1193 HydrophobicContact CE1-CG2 4.47Å; F1173-I1193 HydrophobicContact CZ-CG2 3.94Å; F1173-I1195 HydrophobicContact CD1-CD1 3.48Å; F1173-I1195 VanDerWaalsContact CD1-CD1 3.48Å; F1173-I1195 HydrophobicContact CE1-CD1 3.3Å; F1173-I1195 HydrophobicContact CE1-CG1 4.41Å; F1173-I1195 HydrophobicContact CG-CD1 4.49Å; F1173-I1195 HydrophobicContact CZ-CD1 4.21Å; F1173-W1197 HydrophobicContact CD1-CH2 4.39Å |
| 1174 | N | 83.7 | Confident | 77.3 | Confident | 2 Ų | 2 | 25.4 Ų | 25.4 | 1% | 0.011 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -61.6 | -43 | 173.5 | 173.5 | 56.4 | 0 | 0 | 0 | 112.2 | L1170 I1171 F1176 I1177 Q1178 W1197 L1219 | L1170-N1174 WeakPolarHBondContact O-CB 3.14Å; L1170-N1174 PolarHBondContact O-N 3.2Å; I1171-N1174 PolarHBondContact O-N 2.97Å; N1174-F1176 PolarHBondContact O-N 3.45Å; N1174-I1177 WeakPolarHBondContact O-CB 3.3Å; N1174-I1177 PolarHBondContact O-N 3.35Å; N1174-I1177 VanDerWaalsContact O-N 3.09Å; N1174-Q1178 WeakPolarHBondContact O-CG 3.29Å; N1174-Q1178 PolarHBondContact O-N 3.31Å; N1174-Q1178 VanDerWaalsContact O-N 3.08Å; N1174-Q1178 PolarHBondContact OD1-NE2 3.35Å; N1174-W1197 HydrophobicContact CB-CH2 4.36Å; N1174-L1219 HydrophobicContact CB-CD1 4.32Å |
| 1175 | H | 80 | Confident | 76.1 | Confident | 25 Ų | 25 | 28 Ų | 28 | 12% | 0.116 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -56.3 | -49.7 | 178.3 | 175.7 | -140.3 | 0 | 0 | 0 | 111.8 | F943 W1114 I1171 A1172 F1173 I1177 Q1178 W1179 P2199 | F943-H1175 AromaticContact CE1-NE2 3.62Å; W1114-H1175 AromaticContact CH2-ND1 3.51Å; W1114-H1175 AromaticContact CZ3-ND1 3.78Å; I1171-H1175 PolarHBondContact O-N 3.43Å; A1172-H1175 PolarHBondContact O-N 3.15Å; F1173-H1175 PolarHBondContact O-N 2.96Å; H1175-I1177 VanDerWaalsContact C-N 3.35Å; H1175-I1177 PolarHBondContact O-N 3.35Å; H1175-Q1178 PolarHBondContact O-N 2.98Å; H1175-W1179 PolarHBondContact O-N 2.99Å; H1175-P2199 HydrophobicContact CB-CB 4.13Å; H1175-P2199 WeakPolarHBondContact CD2-CB 3.26Å; H1175-P2199 VanDerWaalsContact CD2-CG 3.49Å; H1175-P2199 WeakPolarHBondContact CD2-CG 3.47Å |
| 1176 | F | 75.8 | Confident | 74.7 | Confident | 7 Ų | 7 | 35.3 Ų | 35.3 | 3% | 0.031 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -58.2 | -41.9 | 173.6 | -90.4 | -75.5 | 0 | 0 | 0 | 113 | P946 V947 W1114 A1117 Y1118 I1121 A1172 F1173 N1174 Q1178 W1179 I1180 | P946-F1176 HydrophobicContact CB-CD1 3.71Å; P946-F1176 HydrophobicContact CB-CD2 4.23Å; P946-F1176 HydrophobicContact CB-CE1 3.57Å; P946-F1176 HydrophobicContact CB-CE2 4.1Å; P946-F1176 HydrophobicContact CB-CG 4.05Å; P946-F1176 HydrophobicContact CB-CZ 3.77Å; P946-F1176 HydrophobicContact CG-CD1 3.82Å; P946-F1176 HydrophobicContact CG-CE1 4.09Å; P946-F1176 HydrophobicContact CG-CG 4.24Å; V947-F1176 HydrophobicContact CG2-CE1 3.73Å; V947-F1176 HydrophobicContact CG2-CZ 3.99Å; W1114-F1176 HydrophobicContact CE3-CD2 4.42Å; W1114-F1176 AromaticContact CE3-CE2 3.96Å; W1114-F1176 HydrophobicContact CE3-CE2 3.96Å; W1114-F1176 HydrophobicContact CZ3-CD2 4.34Å; W1114-F1176 HydrophobicContact CZ3-CE2 4.23Å; A1117-F1176 HydrophobicContact CB-CD2 4.37Å; A1117-F1176 HydrophobicContact CB-CE2 4.49Å; Y1118-F1176 HydrophobicContact CD2-CZ 4.39Å; I1121-F1176 HydrophobicContact CD1-CB 3.16Å; I1121-F1176 HydrophobicContact CD1-CD1 4.05Å; I1121-F1176 HydrophobicContact CD1-CD2 3.72Å; I1121-F1176 HydrophobicContact CD1-CG 3.44Å; I1121-F1176 VanDerWaalsContact CD1-CG 3.44Å; A1172-F1176 WeakPolarHBondContact O-CD2 3.29Å; A1172-F1176 PolarHBondContact O-N 2.65Å; A1172-F1176 VanDerWaalsContact O-N 3.14Å; F1173-F1176 PolarHBondContact O-N 3.31Å; N1174-F1176 PolarHBondContact O-N 3.45Å; F1176-Q1178 VanDerWaalsContact C-N 3.33Å; F1176-Q1178 PolarHBondContact O-N 3.32Å; F1176-W1179 PolarHBondContact O-N 3.08Å; F1176-I1180 WeakPolarHBondContact O-CG1 3.35Å; F1176-I1180 PolarHBondContact O-N 3.3Å |
| 1177 | I | 77.1 | Confident | 73.1 | Confident | 24 Ų | 24 | 37.4 Ų | 37.4 | 12% | 0.123 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -58.2 | -45.2 | 178.3 | -72.9 | 167 | 0 | 0 | 0 | 111.2 | F1173 N1174 H1175 K1181 L1189 | F1173-I1177 HydrophobicContact CD1-CD1 3.67Å; F1173-I1177 HydrophobicContact CE1-CD1 3.33Å; F1173-I1177 HydrophobicContact CE1-CG1 4.4Å; F1173-I1177 HydrophobicContact CE2-CD1 4.46Å; F1173-I1177 HydrophobicContact CG-CD1 4.37Å; F1173-I1177 HydrophobicContact CZ-CD1 3.78Å; F1173-I1177 HydrophobicContact CZ-CG1 4.48Å; F1173-I1177 WeakPolarHBondContact O-CG1 3.15Å; F1173-I1177 PolarHBondContact O-N 2.95Å; N1174-I1177 WeakPolarHBondContact O-CB 3.3Å; N1174-I1177 PolarHBondContact O-N 3.35Å; N1174-I1177 VanDerWaalsContact O-N 3.09Å; H1175-I1177 VanDerWaalsContact C-N 3.35Å; H1175-I1177 PolarHBondContact O-N 3.35Å; I1177-K1181 HydrophobicContact CG2-CD 4.42Å; I1177-K1181 WeakPolarHBondContact O-CG 3.41Å; I1177-K1181 PolarHBondContact O-N 2.88Å; I1177-K1181 VanDerWaalsContact O-N 3.08Å; I1177-L1189 HydrophobicContact CB-CD1 4.33Å; I1177-L1189 HydrophobicContact CG1-CD1 3.89Å; I1177-L1189 HydrophobicContact CG2-CD1 4.04Å |
| 1178 | Q | 77.8 | Confident | 71.3 | Confident | 9 Ų | 9 | 41.1 Ų | 41.1 | 4% | 0.042 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -69.5 | -36.3 | 179.6 | -50 | -52.7 | -26.1 | 0 | 0 | 111.4 | N1174 H1175 F1176 K1181 R1182 Y2150 L2195 | N1174-Q1178 WeakPolarHBondContact O-CG 3.29Å; N1174-Q1178 PolarHBondContact O-N 3.31Å; N1174-Q1178 VanDerWaalsContact O-N 3.08Å; N1174-Q1178 PolarHBondContact OD1-NE2 3.35Å; H1175-Q1178 PolarHBondContact O-N 2.98Å; F1176-Q1178 VanDerWaalsContact C-N 3.33Å; F1176-Q1178 PolarHBondContact O-N 3.32Å; Q1178-K1181 PolarHBondContact O-N 3.39Å; Q1178-R1182 VanDerWaalsContact O-CB 3.29Å; Q1178-R1182 WeakPolarHBondContact O-CB 3.3Å; Q1178-R1182 PolarHBondContact O-N 2.91Å; Q1178-Y2150 PolarHBondContact OE1-OH 3.37Å; Q1178-L2195 HydrophobicContact CG-CB 4.03Å |
| 1179 | W | 74.6 | Confident | 69.8 | Low | 52 Ų | 52 | 40.9 Ų | 40.9 | 20% | 0.197 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61.3 | -48.4 | 173.7 | -178.9 | 86.8 | 0 | 0 | 0 | 112.2 | F943 D945 P946 H1175 F1176 K1181 R1182 S1183 | F943-W1179 PolarHBondContact O-NE1 2.76Å; D945-W1179 HydrophobicContact CB-CH2 4.22Å; D945-W1179 HydrophobicContact CB-CZ2 3.7Å; P946-W1179 VanDerWaalsContact CD-CD2 3.42Å; P946-W1179 HydrophobicContact CG-CB 3.98Å; P946-W1179 HydrophobicContact CG-CD2 4.2Å; P946-W1179 HydrophobicContact CG-CG 3.88Å; H1175-W1179 PolarHBondContact O-N 2.99Å; F1176-W1179 PolarHBondContact O-N 3.08Å; W1179-K1181 VanDerWaalsContact C-N 3.32Å; W1179-K1181 PolarHBondContact O-N 2.85Å; W1179-R1182 PolarHBondContact O-N 3.22Å; W1179-R1182 VanDerWaalsContact O-N 3.16Å; W1179-S1183 PolarHBondContact O-N 3.17Å; W1179-S1183 PolarHBondContact O-OG 3.36Å |
| 1180 | I | 72.1 | Confident | 68.3 | Low | 8 Ų | 8 | 42.3 Ų | 42.3 | 4% | 0.041 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -57.8 | -44.6 | 176.3 | -69 | 168.2 | 0 | 0 | 0 | 111 | I1121 F1176 S1183 I1187 L1189 | I1121-I1180 HydrophobicContact CG2-CD1 3.71Å; F1176-I1180 WeakPolarHBondContact O-CG1 3.35Å; F1176-I1180 PolarHBondContact O-N 3.3Å; I1180-S1183 PolarHBondContact O-OG 3.45Å; I1180-I1187 HydrophobicContact CD1-CG2 4.46Å; I1180-I1187 HydrophobicContact CG2-CB 3.88Å; I1180-I1187 HydrophobicContact CG2-CG2 4.18Å; I1180-L1189 HydrophobicContact CD1-CD2 4.49Å |
| 1181 | K | 72 | Confident | 66.7 | Low | 73 Ų | 73 | 48 Ų | 48 | 32% | 0.317 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -62.5 | -44.6 | 177.1 | -73.6 | -175.8 | 179.1 | -172.8 | 0 | 111.5 | I1177 Q1178 W1179 R2149 Y2150 | I1177-K1181 HydrophobicContact CG2-CD 4.42Å; I1177-K1181 WeakPolarHBondContact O-CG 3.41Å; I1177-K1181 PolarHBondContact O-N 2.88Å; I1177-K1181 VanDerWaalsContact O-N 3.08Å; Q1178-K1181 PolarHBondContact O-N 3.39Å; W1179-K1181 VanDerWaalsContact C-N 3.32Å; W1179-K1181 PolarHBondContact O-N 2.85Å; K1181-R2149 VanDerWaalsContact O-CD 3.27Å; K1181-R2149 WeakPolarHBondContact O-CD 3.35Å; K1181-Y2150 HydrophobicContact CD-CD1 4.05Å; K1181-Y2150 HydrophobicContact CD-CE1 3.47Å; K1181-Y2150 VanDerWaalsContact CD-CE1 3.47Å |
| 1182 | R | 69.5 | Low | 64.9 | Low | 56 Ų | 56 | 48.4 Ų | 48.4 | 21% | 0.211 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -67.9 | -39.3 | -177.7 | -177.9 | 177.2 | 174.2 | 151.4 | 1.7 | 113.3 | Q1178 W1179 G1184 E2196 Q2197 | Q1178-R1182 VanDerWaalsContact O-CB 3.29Å; Q1178-R1182 WeakPolarHBondContact O-CB 3.3Å; Q1178-R1182 PolarHBondContact O-N 2.91Å; W1179-R1182 PolarHBondContact O-N 3.22Å; W1179-R1182 VanDerWaalsContact O-N 3.16Å; R1182-G1184 VanDerWaalsContact C-N 3.31Å; R1182-G1184 PolarHBondContact O-N 2.98Å; R1182-E2196 PolarHBondContact NH1-O 3.06Å; R1182-Q2197 VanDerWaalsContact NH1-CD 3.27Å |
| 1183 | S | 66.2 | Low | 64 | Low | 59 Ų | 59 | 49.6 Ų | 49.6 | 41% | 0.413 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -72.7 | -21 | -177.9 | 63.2 | 0 | 0 | 0 | 0 | 113.7 | W1179 I1180 E1185 | W1179-S1183 PolarHBondContact O-N 3.17Å; W1179-S1183 PolarHBondContact O-OG 3.36Å; I1180-S1183 PolarHBondContact O-OG 3.45Å; S1183-E1185 VanDerWaalsContact C-N 3.3Å; S1183-E1185 PolarHBondContact O-N 3.03Å |
| 1184 | G | 58.2 | Low | 63.2 | Low | 58 Ų | 58 | 54.4 Ų | 54.4 | 60% | 0.598 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.4 | 18.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | R1182 | R1182-G1184 VanDerWaalsContact C-N 3.31Å; R1182-G1184 PolarHBondContact O-N 2.98Å |
| 1185 | E | 50.9 | Low | 62.8 | Low | 110 Ų | 110 | 55.6 Ų | 55.6 | 51% | 0.514 | 31% | 0.314 | S | S | . | . | trans | -71.4 | 145.8 | 166.1 | -60.9 | -152.2 | 132.3 | 0 | 0 | 110.5 | S1183 I1187 | S1183-E1185 VanDerWaalsContact C-N 3.3Å; S1183-E1185 PolarHBondContact O-N 3.03Å; E1185-I1187 HydrophobicContact CB-CD1 4.39Å; E1185-I1187 HydrophobicContact CB-CG1 4.25Å; E1185-I1187 PolarHBondContact O-N 3.41Å | ||
| 1186 | N | 47.9 | Very low | 62.9 | Low | 157 Ų | 157 | 58 Ų | 58 | 84% | 0.84 | 33% | 0.327 | S | S | * | . | trans | -75.5 | 41.9 | -178.5 | -76.8 | -23.9 | 0 | 0 | 0 | 113.2 | T1188 | N1186-T1188 VanDerWaalsContact C-N 3.32Å; N1186-T1188 PolarHBondContact O-N 3.09Å; N1186-T1188 VanDerWaalsContact O-N 3.09Å | ||
| 1187 | I | 48.5 | Very low | 63.4 | Low | 50 Ų | 50 | 59.1 Ų | 59.1 | 26% | 0.256 | 33% | 0.332 | S | S | . | . | trans | -81.1 | 83.6 | 171.4 | -59.3 | 175.4 | 0 | 0 | 0 | 107.5 | I1180 E1185 L1189 | I1180-I1187 HydrophobicContact CD1-CG2 4.46Å; I1180-I1187 HydrophobicContact CG2-CB 3.88Å; I1180-I1187 HydrophobicContact CG2-CG2 4.18Å; E1185-I1187 HydrophobicContact CB-CD1 4.39Å; E1185-I1187 HydrophobicContact CB-CG1 4.25Å; E1185-I1187 PolarHBondContact O-N 3.41Å; I1187-L1189 VanDerWaalsContact C-N 3.32Å; I1187-L1189 PolarHBondContact O-N 3.39Å | ||
| 1188 | T | 46.9 | Very low | 63.8 | Low | 78 Ų | 78 | 59.7 Ų | 59.7 | 48% | 0.479 | 34% | 0.335 | S | S | . | . | trans | -70 | 87.4 | 174.2 | 43.4 | 0 | 0 | 0 | 0 | 110.3 | N1127 N1186 N1190 | N1127-T1188 PolarHBondContact ND2-OG1 3.15Å; N1127-T1188 PolarHBondContact OD1-OG1 3.42Å; N1186-T1188 VanDerWaalsContact C-N 3.32Å; N1186-T1188 PolarHBondContact O-N 3.09Å; N1186-T1188 VanDerWaalsContact O-N 3.09Å; T1188-N1190 PolarHBondContact O-N 3.46Å; T1188-N1190 VanDerWaalsContact O-N 3.1Å | ||
| 1189 | L | 51.7 | Low | 64.2 | Low | 48 Ų | 48 | 60.3 Ų | 60.3 | 25% | 0.251 | 34% | 0.339 | S | S | . | . | trans | -44.2 | 116.7 | 172.6 | -81.4 | 159.3 | 0 | 0 | 0 | 110.5 | I1177 I1180 I1187 | I1177-L1189 HydrophobicContact CB-CD1 4.33Å; I1177-L1189 HydrophobicContact CG1-CD1 3.89Å; I1177-L1189 HydrophobicContact CG2-CD1 4.04Å; I1180-L1189 HydrophobicContact CD1-CD2 4.49Å; I1187-L1189 VanDerWaalsContact C-N 3.32Å; I1187-L1189 PolarHBondContact O-N 3.39Å | ||
| 1190 | N | 50.3 | Low | 64.8 | Low | 32 Ų | 32 | 57.8 Ų | 57.8 | 17% | 0.171 | 33% | 0.33 | C | S | . | . | trans | -60.8 | 121 | -171.4 | -159.3 | -21.6 | 0 | 0 | 0 | 110.9 | G1124 T1188 S1192 I1193 | G1124-N1190 PolarHBondContact O-N 3.45Å; G1124-N1190 VanDerWaalsContact O-N 3.14Å; T1188-N1190 PolarHBondContact O-N 3.46Å; T1188-N1190 VanDerWaalsContact O-N 3.1Å; N1190-S1192 PolarHBondContact O-N 3.4Å; N1190-S1192 PolarHBondContact OD1-OG 3.05Å; N1190-I1193 PolarHBondContact O-N 3.01Å | ||
| 1191 | P | 50.9 | Low | 65.6 | Low | 122 Ų | 122 | 57.4 Ų | 57.4 | 79% | 0.792 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.5 | 0.1 | -172 | 26.5 | -36.2 | 0 | 0 | 0 | 114.9 | I1193 | P1191-I1193 VanDerWaalsContact C-N 3.3Š|
| 1192 | S | 47.4 | Very low | 66.2 | Low | 36 Ų | 36 | 55.9 Ų | 55.9 | 25% | 0.252 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | -6.5 | 173 | 57.8 | 0 | 0 | 0 | 0 | 114.7 | N1190 T1194 | N1190-S1192 PolarHBondContact O-N 3.4Å; N1190-S1192 PolarHBondContact OD1-OG 3.05Å; S1192-T1194 PolarHBondContact O-N 2.93Å |
| 1193 | I | 59.7 | Low | 67 | Low | 29 Ų | 29 | 54.4 Ų | 54.4 | 15% | 0.149 | 32% | 0.318 | C | S | . | . | trans | -89.1 | 78.4 | 179.4 | -52.5 | 178.4 | 0 | 0 | 0 | 110 | F1173 N1190 P1191 I1195 | F1173-I1193 HydrophobicContact CE1-CG2 4.47Å; F1173-I1193 HydrophobicContact CZ-CG2 3.94Å; N1190-I1193 PolarHBondContact O-N 3.01Å; P1191-I1193 VanDerWaalsContact C-N 3.3Å; I1193-I1195 HydrophobicContact CG2-CG1 4.31Å; I1193-I1195 PolarHBondContact O-N 2.99Å | ||
| 1194 | T | 65.8 | Low | 68 | Low | 108 Ų | 108 | 51.6 Ų | 51.6 | 66% | 0.663 | 30% | 0.298 | S | S | * | . | trans | -91.6 | 93.3 | 178.6 | 52 | 0 | 0 | 0 | 0 | 111.6 | S1192 | S1192-T1194 PolarHBondContact O-N 2.93Š| ||
| 1195 | I | 74.3 | Confident | 69.2 | Low | 27 Ų | 27 | 49 Ų | 49 | 14% | 0.138 | 27% | 0.271 | C | S | . | . | trans | -80.8 | 131.3 | 174.4 | -64.6 | -177.4 | 0 | 0 | 0 | 110.1 | L1170 F1173 I1193 W1197 | L1170-I1195 HydrophobicContact CD2-CD1 3.84Å; L1170-I1195 HydrophobicContact CD2-CG2 3.9Å; F1173-I1195 HydrophobicContact CD1-CD1 3.48Å; F1173-I1195 VanDerWaalsContact CD1-CD1 3.48Å; F1173-I1195 HydrophobicContact CE1-CD1 3.3Å; F1173-I1195 HydrophobicContact CE1-CG1 4.41Å; F1173-I1195 HydrophobicContact CG-CD1 4.49Å; F1173-I1195 HydrophobicContact CZ-CD1 4.21Å; I1193-I1195 HydrophobicContact CG2-CG1 4.31Å; I1193-I1195 PolarHBondContact O-N 2.99Å; I1195-W1197 VanDerWaalsContact C-N 3.28Å; I1195-W1197 HydrophobicContact CB-CD2 4.42Å; I1195-W1197 HydrophobicContact CB-CZ2 4.25Å; I1195-W1197 HydrophobicContact CD1-CH2 4.39Å; I1195-W1197 HydrophobicContact CD1-CZ2 4.3Å; I1195-W1197 HydrophobicContact CG2-CD2 3.94Å; I1195-W1197 HydrophobicContact CG2-CE3 4.08Å; I1195-W1197 HydrophobicContact CG2-CG 4.43Å; I1195-W1197 HydrophobicContact CG2-CH2 4.42Å; I1195-W1197 HydrophobicContact CG2-CZ2 4.28Å; I1195-W1197 HydrophobicContact CG2-CZ3 4.33Å; I1195-W1197 PolarHBondContact O-N 2.98Å | ||
| 1196 | N | 82.9 | Confident | 70.6 | Confident | 74 Ų | 74 | 47.9 Ų | 47.9 | 40% | 0.396 | 27% | 0.272 | S | S | . | . | trans | -78.3 | 76.7 | 174.4 | -170 | -17.3 | 0 | 0 | 0 | 111.3 | T1145 L1198 C1199 A1200 | T1145-N1196 HydrophobicContact CG2-CB 3.81Å; N1196-L1198 PolarHBondContact O-N 3.33Å; N1196-L1198 PolarHBondContact OD1-N 3.29Å; N1196-C1199 HydrophobicContact CB-CB 4.14Å; N1196-C1199 PolarHBondContact O-N 2.84Å; N1196-C1199 VanDerWaalsContact O-N 3.11Å; N1196-C1199 PolarHBondContact OD1-N 3.43Å; N1196-A1200 PolarHBondContact O-N 3.44Å | ||
| 1197 | W | 86.4 | Confident | 72.2 | Confident | 32 Ų | 32 | 42.1 Ų | 42.1 | 12% | 0.121 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -55.5 | -29.8 | 177.3 | -61.9 | 115.3 | 0 | 0 | 0 | 113.4 | L1170 F1173 N1174 I1195 A1200 A1201 F1216 L1219 A1220 | L1170-W1197 HydrophobicContact CB-CZ3 4.1Å; F1173-W1197 HydrophobicContact CD1-CH2 4.39Å; N1174-W1197 HydrophobicContact CB-CH2 4.36Å; I1195-W1197 VanDerWaalsContact C-N 3.28Å; I1195-W1197 HydrophobicContact CB-CD2 4.42Å; I1195-W1197 HydrophobicContact CB-CZ2 4.25Å; I1195-W1197 HydrophobicContact CD1-CH2 4.39Å; I1195-W1197 HydrophobicContact CD1-CZ2 4.3Å; I1195-W1197 HydrophobicContact CG2-CD2 3.94Å; I1195-W1197 HydrophobicContact CG2-CE3 4.08Å; I1195-W1197 HydrophobicContact CG2-CG 4.43Å; I1195-W1197 HydrophobicContact CG2-CH2 4.42Å; I1195-W1197 HydrophobicContact CG2-CZ2 4.28Å; I1195-W1197 HydrophobicContact CG2-CZ3 4.33Å; I1195-W1197 PolarHBondContact O-N 2.98Å; W1197-A1200 PolarHBondContact O-N 2.83Å; W1197-A1201 WeakPolarHBondContact O-CB 3.15Å; W1197-A1201 PolarHBondContact O-N 3.35Å; W1197-F1216 AromaticContact CE3-CD1 3.69Å; W1197-F1216 HydrophobicContact CE3-CD1 3.69Å; W1197-F1216 HydrophobicContact CE3-CE1 4.34Å; W1197-F1216 AromaticContact CZ3-CD1 3.81Å; W1197-F1216 HydrophobicContact CZ3-CD1 3.81Å; W1197-F1216 HydrophobicContact CZ3-CE1 4.03Å; W1197-L1219 HydrophobicContact CD2-CB 4.11Å; W1197-L1219 HydrophobicContact CD2-CD1 4.37Å; W1197-L1219 HydrophobicContact CE3-CB 4.43Å; W1197-L1219 HydrophobicContact CE3-CD1 4.01Å; W1197-L1219 HydrophobicContact CG-CB 4.19Å; W1197-L1219 HydrophobicContact CH2-CD1 4.12Å; W1197-L1219 HydrophobicContact CZ2-CD1 4.46Å; W1197-L1219 HydrophobicContact CZ3-CD1 3.86Å; W1197-A1220 HydrophobicContact CB-CB 3.77Å |
| 1198 | L | 85.9 | Confident | 73.6 | Confident | 36 Ų | 36 | 47.6 Ų | 47.6 | 19% | 0.188 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -69 | -39.3 | 177.9 | -164.5 | 73.9 | 0 | 0 | 0 | 112 | N1196 A1201 D1202 L1217 W1230 V1236 T1237 I1240 | N1196-L1198 PolarHBondContact O-N 3.33Å; N1196-L1198 PolarHBondContact OD1-N 3.29Å; L1198-A1201 PolarHBondContact O-N 2.88Å; L1198-D1202 PolarHBondContact O-N 3.13Å; L1198-L1217 HydrophobicContact CD1-CD1 3.72Å; L1198-W1230 HydrophobicContact CD1-CH2 4.09Å; L1198-W1230 HydrophobicContact CD1-CZ2 4.45Å; L1198-V1236 HydrophobicContact CD2-CB 4.41Å; L1198-V1236 HydrophobicContact CD2-CG1 3.9Å; L1198-V1236 HydrophobicContact CG-CG1 4.47Å; L1198-T1237 HydrophobicContact CD1-CG2 3.61Å; L1198-I1240 HydrophobicContact CD1-CD1 3.7Å; L1198-I1240 HydrophobicContact CG-CD1 3.84Å |
| 1199 | C | 85.7 | Confident | 75.2 | Confident | 21 Ų | 21 | 44.9 Ų | 44.9 | 14% | 0.142 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -66.3 | -41.3 | 173.8 | -175.8 | 0 | 0 | 0 | 0 | 111.5 | T1145 N1196 A1201 D1202 R1203 | T1145-C1199 HydrophobicContact CG2-CB 4.31Å; N1196-C1199 HydrophobicContact CB-CB 4.14Å; N1196-C1199 PolarHBondContact O-N 2.84Å; N1196-C1199 VanDerWaalsContact O-N 3.11Å; N1196-C1199 PolarHBondContact OD1-N 3.43Å; C1199-A1201 VanDerWaalsContact C-N 3.32Å; C1199-A1201 PolarHBondContact O-N 3.45Å; C1199-D1202 PolarHBondContact O-N 2.87Å; C1199-R1203 WeakPolarHBondContact O-CB 3.27Å; C1199-R1203 PolarHBondContact O-N 3.21Å |
| 1200 | A | 86.8 | Confident | 76.7 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -61.4 | -39.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | L1148 L1167 L1170 N1196 W1197 A1204 F1216 | L1148-A1200 HydrophobicContact CD1-CB 4.33Å; L1167-A1200 HydrophobicContact CD2-CB 4.07Å; L1170-A1200 HydrophobicContact CD1-CB 3.64Å; N1196-A1200 PolarHBondContact O-N 3.44Å; W1197-A1200 PolarHBondContact O-N 2.83Å; A1200-A1204 WeakPolarHBondContact O-CB 3.38Å; A1200-A1204 PolarHBondContact O-N 2.91Å; A1200-F1216 HydrophobicContact CB-CB 4.35Å; A1200-F1216 HydrophobicContact CB-CD2 4.03Å; A1200-F1216 HydrophobicContact CB-CE2 4.48Å; A1200-F1216 HydrophobicContact CB-CG 4.07Å |
| 1201 | A | 88.6 | Confident | 78.3 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -64.3 | -50.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | W1197 L1198 C1199 R1203 A1204 T1205 F1216 L1217 I1240 | W1197-A1201 WeakPolarHBondContact O-CB 3.15Å; W1197-A1201 PolarHBondContact O-N 3.35Å; L1198-A1201 PolarHBondContact O-N 2.88Å; C1199-A1201 VanDerWaalsContact C-N 3.32Å; C1199-A1201 PolarHBondContact O-N 3.45Å; A1201-R1203 VanDerWaalsContact C-N 3.34Å; A1201-R1203 PolarHBondContact O-N 3.24Å; A1201-A1204 PolarHBondContact O-N 3.38Å; A1201-T1205 WeakPolarHBondContact O-CG2 3.27Å; A1201-T1205 PolarHBondContact O-N 3.28Å; A1201-F1216 HydrophobicContact CB-CB 3.89Å; A1201-L1217 HydrophobicContact CB-CB 4.07Å; A1201-I1240 HydrophobicContact CB-CG2 4.1Å |
| 1202 | D | 86.3 | Confident | 80.1 | Confident | 40 Ų | 40 | 38.9 Ų | 38.9 | 21% | 0.214 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -59.8 | -45.8 | 178.7 | -150.8 | 7 | 0 | 0 | 0 | 110.4 | L1198 C1199 A1204 T1205 T1206 R1239 I1240 | L1198-D1202 PolarHBondContact O-N 3.13Å; C1199-D1202 PolarHBondContact O-N 2.87Å; D1202-A1204 PolarHBondContact O-N 3.2Å; D1202-T1205 PolarHBondContact O-N 2.85Å; D1202-T1205 VanDerWaalsContact O-N 3.16Å; D1202-T1205 PolarHBondContact O-OG1 3.3Å; D1202-T1206 PolarHBondContact O-N 2.84Å; D1202-T1206 VanDerWaalsContact O-N 3.14Å; D1202-R1239 IonicContact OD2-CZ 2.79Å; D1202-R1239 IonicContact OD2-NH2 2.87Å; D1202-R1239 PolarHBondContact OD2-NH2 3.34Å; D1202-I1240 HydrophobicContact CB-CD1 3.77Å; D1202-I1240 HydrophobicContact CB-CG1 3.87Å |
| 1203 | R | 85.7 | Confident | 82.1 | Confident | 25 Ų | 25 | 37.1 Ų | 37.1 | 9% | 0.094 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -61.5 | -41.1 | 175.2 | -173.5 | 53.3 | 53.7 | 156 | -3.1 | 113.2 | L1148 S1149 H1150 Q1163 C1199 A1201 T1205 T1206 L1207 | L1148-R1203 HydrophobicContact CD2-CB 4.33Å; L1148-R1203 HydrophobicContact CD2-CG 3.79Å; L1148-R1203 PolarHBondContact O-NE 3.28Å; L1148-R1203 PolarHBondContact O-NH2 3.37Å; S1149-R1203 VanDerWaalsContact C-NH2 3.34Å; S1149-R1203 PolarHBondContact O-NH2 2.9Å; H1150-R1203 VanDerWaalsContact O-CZ 3.24Å; H1150-R1203 PolarHBondContact O-NH1 3.11Å; H1150-R1203 PolarHBondContact O-NH2 2.87Å; Q1163-R1203 VanDerWaalsContact NE2-NH1 3.19Å; C1199-R1203 WeakPolarHBondContact O-CB 3.27Å; C1199-R1203 PolarHBondContact O-N 3.21Å; A1201-R1203 VanDerWaalsContact C-N 3.34Å; A1201-R1203 PolarHBondContact O-N 3.24Å; R1203-T1205 VanDerWaalsContact C-N 3.28Å; R1203-T1205 PolarHBondContact O-N 3.45Å; R1203-T1206 PolarHBondContact O-N 3.29Å; R1203-T1206 PolarHBondContact O-OG1 3.39Å; R1203-L1207 HydrophobicContact CG-CD1 3.98Å; R1203-L1207 HydrophobicContact CG-CG 4.45Å; R1203-L1207 WeakPolarHBondContact O-CG 3.4Å; R1203-L1207 PolarHBondContact O-N 3.42Å |
| 1204 | A | 86.4 | Confident | 83.5 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -65.5 | -31.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | L1167 A1200 A1201 D1202 K1208 R1209 A1213 F1216 | L1167-A1204 HydrophobicContact CD1-CB 3.82Å; A1200-A1204 WeakPolarHBondContact O-CB 3.38Å; A1200-A1204 PolarHBondContact O-N 2.91Å; A1201-A1204 PolarHBondContact O-N 3.38Å; D1202-A1204 PolarHBondContact O-N 3.2Å; A1204-K1208 PolarHBondContact O-N 2.98Å; A1204-R1209 PolarHBondContact O-N 2.77Å; A1204-A1213 HydrophobicContact CB-CB 3.68Å; A1204-F1216 HydrophobicContact CB-CD2 4.07Å; A1204-F1216 HydrophobicContact CB-CE2 4.22Å |
| 1205 | T | 83.5 | Confident | 84.7 | Confident | 5 Ų | 5 | 30.9 Ų | 30.9 | 3% | 0.031 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -66.8 | -45.6 | 170.4 | 71 | 0 | 0 | 0 | 0 | 112 | A1201 D1202 R1203 L1207 K1208 A1213 I1240 L1244 L1247 | A1201-T1205 WeakPolarHBondContact O-CG2 3.27Å; A1201-T1205 PolarHBondContact O-N 3.28Å; D1202-T1205 PolarHBondContact O-N 2.85Å; D1202-T1205 VanDerWaalsContact O-N 3.16Å; D1202-T1205 PolarHBondContact O-OG1 3.3Å; R1203-T1205 VanDerWaalsContact C-N 3.28Å; R1203-T1205 PolarHBondContact O-N 3.45Å; T1205-L1207 VanDerWaalsContact C-N 3.29Å; T1205-L1207 PolarHBondContact O-N 3.35Å; T1205-K1208 PolarHBondContact O-N 2.89Å; T1205-A1213 HydrophobicContact CG2-CB 3.71Å; T1205-I1240 HydrophobicContact CG2-CG2 4.05Å; T1205-L1244 HydrophobicContact CG2-CB 4.05Å; T1205-L1247 HydrophobicContact CG2-CD1 4.39Å; T1205-L1247 WeakPolarHBondContact O-CD1 3.01Å |
| 1206 | T | 81.4 | Confident | 85.4 | Confident | 86 Ų | 86 | 29.6 Ų | 29.6 | 53% | 0.528 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -66.2 | -32.1 | -179.9 | 61.9 | 0 | 0 | 0 | 0 | 112.6 | D1202 R1203 K1208 | D1202-T1206 PolarHBondContact O-N 2.84Å; D1202-T1206 VanDerWaalsContact O-N 3.14Å; R1203-T1206 PolarHBondContact O-N 3.29Å; R1203-T1206 PolarHBondContact O-OG1 3.39Å; T1206-K1208 VanDerWaalsContact C-N 3.25Å; T1206-K1208 PolarHBondContact O-N 3.32Å |
| 1207 | L | 80.3 | Confident | 85.7 | Confident | 36 Ų | 36 | 26.1 Ų | 26.1 | 19% | 0.188 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | 7.3 | 172.6 | -64 | 176.3 | 0 | 0 | 0 | 114.4 | P1160 Q1163 L1167 R1203 T1205 R1209 | P1160-L1207 HydrophobicContact CB-CD2 3.95Å; Q1163-L1207 HydrophobicContact CB-CD1 3.79Å; L1167-L1207 HydrophobicContact CD1-CD1 3.91Å; R1203-L1207 HydrophobicContact CG-CD1 3.98Å; R1203-L1207 HydrophobicContact CG-CG 4.45Å; R1203-L1207 WeakPolarHBondContact O-CG 3.4Å; R1203-L1207 PolarHBondContact O-N 3.42Å; T1205-L1207 VanDerWaalsContact C-N 3.29Å; T1205-L1207 PolarHBondContact O-N 3.35Å; L1207-R1209 PolarHBondContact O-N 3.48Å |
| 1208 | K | 79.1 | Confident | 85.8 | Confident | 165 Ų | 165 | 24.8 Ų | 24.8 | 72% | 0.717 | 13% | 0.125 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.4 | 35.9 | 178.4 | -52.5 | 179.6 | -177.1 | 174.1 | 0 | 114.7 | A1204 T1205 T1206 P1210 L1247 | A1204-K1208 PolarHBondContact O-N 2.98Å; T1205-K1208 PolarHBondContact O-N 2.89Å; T1206-K1208 VanDerWaalsContact C-N 3.25Å; T1206-K1208 PolarHBondContact O-N 3.32Å; K1208-P1210 VanDerWaalsContact C-CD 3.49Å; K1208-P1210 WeakPolarHBondContact O-CD 3.47Å; K1208-L1247 HydrophobicContact CG-CD2 4.27Å |
| 1209 | R | 80.4 | Confident | 85.9 | Confident | 20 Ų | 20 | 23.8 Ų | 23.8 | 8% | 0.075 | 12% | 0.12 | C | C | . | . | trans | -106.7 | 76.9 | 174.5 | -61.7 | -178.2 | 77.3 | 151.5 | -2.5 | 110.6 | E1168 A1204 L1207 E1212 A1213 | E1168-R1209 IonicContact OE1-CZ 3.54Å; E1168-R1209 VanDerWaalsContact OE1-CZ 3.23Å; E1168-R1209 IonicContact OE1-NH1 3.92Å; E1168-R1209 PolarHBondContact OE1-NH1 2.86Å; E1168-R1209 IonicContact OE1-NH2 2.86Å; E1168-R1209 PolarHBondContact OE1-NH2 3.46Å; A1204-R1209 PolarHBondContact O-N 2.77Å; L1207-R1209 PolarHBondContact O-N 3.48Å; R1209-E1212 HydrophobicContact CB-CB 4.26Å; R1209-E1212 WeakPolarHBondContact CD-OE2 3.42Å; R1209-E1212 IonicContact CZ-OE1 2.65Å; R1209-E1212 IonicContact CZ-OE2 3.15Å; R1209-E1212 IonicContact NE-OE1 2.71Å; R1209-E1212 PolarHBondContact NE-OE1 2.77Å; R1209-E1212 IonicContact NE-OE2 3.36Å; R1209-E1212 PolarHBondContact NE-OE2 3.32Å; R1209-E1212 IonicContact NH2-OE1 3.21Å; R1209-E1212 PolarHBondContact NH2-OE1 2.9Å; R1209-E1212 IonicContact NH2-OE2 2.8Å; R1209-E1212 PolarHBondContact O-N 3.09Å; R1209-A1213 PolarHBondContact O-N 3.35Å | ||
| 1210 | P | 83.1 | Confident | 85.9 | Confident | 25 Ų | 25 | 23.2 Ų | 23.2 | 16% | 0.162 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -71.4 | -35.7 | -163.4 | 27.6 | -36.6 | 0 | 0 | 0 | 115.2 | K1208 E1212 R1214 L1247 | K1208-P1210 VanDerWaalsContact C-CD 3.49Å; K1208-P1210 WeakPolarHBondContact O-CD 3.47Å; P1210-E1212 VanDerWaalsContact C-N 3.31Å; P1210-E1212 PolarHBondContact O-N 3.46Å; P1210-R1214 PolarHBondContact O-N 3.03Å; P1210-R1214 VanDerWaalsContact O-N 3.07Å; P1210-L1247 HydrophobicContact CB-CB 4.49Å |
| 1211 | Q | 84.6 | Confident | 85.9 | Confident | 44 Ų | 44 | 24.3 Ų | 24.3 | 21% | 0.206 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -67.1 | -36.2 | 177.1 | -63.5 | 98.5 | -8.7 | 0 | 0 | 111.6 | R1214 L1215 P2201 F2205 | Q1211-R1214 PolarHBondContact O-N 3.23Å; Q1211-L1215 PolarHBondContact O-N 3.49Å; Q1211-P2201 HydrophobicContact CB-CB 3.97Å; Q1211-F2205 HydrophobicContact CG-CB 4.31Å |
| 1212 | E | 88.5 | Confident | 85.7 | Confident | 7 Ų | 7 | 25.1 Ų | 25.1 | 3% | 0.033 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -69.8 | -45.5 | 177.1 | -66.5 | 168 | -148.5 | 0 | 0 | 111.3 | I1171 R1209 P1210 R1214 L1215 F1216 P2201 | I1171-E1212 HydrophobicContact CD1-CG 3.68Å; R1209-E1212 HydrophobicContact CB-CB 4.26Å; R1209-E1212 WeakPolarHBondContact CD-OE2 3.42Å; R1209-E1212 IonicContact CZ-OE1 2.65Å; R1209-E1212 IonicContact CZ-OE2 3.15Å; R1209-E1212 IonicContact NE-OE1 2.71Å; R1209-E1212 PolarHBondContact NE-OE1 2.77Å; R1209-E1212 IonicContact NE-OE2 3.36Å; R1209-E1212 PolarHBondContact NE-OE2 3.32Å; R1209-E1212 IonicContact NH2-OE1 3.21Å; R1209-E1212 PolarHBondContact NH2-OE1 2.9Å; R1209-E1212 IonicContact NH2-OE2 2.8Å; R1209-E1212 PolarHBondContact O-N 3.09Å; P1210-E1212 VanDerWaalsContact C-N 3.31Å; P1210-E1212 PolarHBondContact O-N 3.46Å; E1212-R1214 PolarHBondContact O-N 3.5Å; E1212-L1215 PolarHBondContact O-N 2.85Å; E1212-L1215 VanDerWaalsContact O-N 3.12Å; E1212-F1216 HydrophobicContact CB-CD2 4.47Å; E1212-F1216 HydrophobicContact CB-CE2 3.95Å; E1212-F1216 WeakPolarHBondContact O-CD2 3.46Å; E1212-F1216 VanDerWaalsContact O-CG 3.31Å; E1212-F1216 WeakPolarHBondContact O-CG 3.48Å; E1212-F1216 PolarHBondContact O-N 3.4Å; E1212-P2201 HydrophobicContact CG-CB 4.03Å; E1212-P2201 HydrophobicContact CG-CG 3.79Å |
| 1213 | A | 88.7 | Confident | 85.1 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -54 | -37.9 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | A1204 T1205 R1209 L1217 L1244 | A1204-A1213 HydrophobicContact CB-CB 3.68Å; T1205-A1213 HydrophobicContact CG2-CB 3.71Å; R1209-A1213 PolarHBondContact O-N 3.35Å; A1213-L1217 VanDerWaalsContact O-CB 3.3Å; A1213-L1217 WeakPolarHBondContact O-CB 3.48Å; A1213-L1217 PolarHBondContact O-N 2.81Å; A1213-L1244 HydrophobicContact CB-CD1 3.89Å; A1213-L1244 HydrophobicContact CB-CG 4.36Å |
| 1214 | R | 89.4 | Confident | 83.6 | Confident | 4 Ų | 4 | 31.9 Ų | 31.9 | 2% | 0.015 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -72.8 | -41 | 177.5 | -160.9 | 169.5 | 178.7 | 144.9 | -9.3 | 112.2 | P1210 Q1211 E1212 L1217 E1218 L1244 D1250 W2204 | P1210-R1214 PolarHBondContact O-N 3.03Å; P1210-R1214 VanDerWaalsContact O-N 3.07Å; Q1211-R1214 PolarHBondContact O-N 3.23Å; E1212-R1214 PolarHBondContact O-N 3.5Å; R1214-L1217 PolarHBondContact O-N 3.38Å; R1214-E1218 WeakPolarHBondContact CG-OE1 3.32Å; R1214-E1218 IonicContact NE-OE1 2.79Å; R1214-E1218 PolarHBondContact NE-OE1 3.4Å; R1214-E1218 WeakPolarHBondContact O-CB 3.39Å; R1214-E1218 WeakPolarHBondContact O-CG 3.43Å; R1214-E1218 PolarHBondContact O-N 3.29Å; R1214-L1244 HydrophobicContact CB-CD1 3.84Å; R1214-L1244 HydrophobicContact CB-CD2 4.22Å; R1214-L1244 HydrophobicContact CG-CD1 4.31Å; R1214-L1244 HydrophobicContact CG-CD2 4.39Å; R1214-D1250 IonicContact CZ-OD2 3.71Å; R1214-D1250 IonicContact NH1-OD2 3.88Å; R1214-D1250 PolarHBondContact NH1-OD2 3.2Å; R1214-D1250 IonicContact NH2-OD2 3.25Å; R1214-W2204 HydrophobicContact CB-CH2 4.37Å; R1214-W2204 HydrophobicContact CB-CZ3 4.04Å; R1214-W2204 HydrophobicContact CG-CH2 4.13Å; R1214-W2204 HydrophobicContact CG-CZ3 4.06Å |
| 1215 | L | 89.8 | Confident | 82.3 | Confident | 1 Ų | 1 | 36.9 Ų | 36.9 | 1% | 0.005 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -59.1 | -48.1 | 172.9 | 175.4 | 63.5 | 0 | 0 | 0 | 111.2 | Q1211 E1212 E1218 L1219 L2195 P2201 W2204 | Q1211-L1215 PolarHBondContact O-N 3.49Å; E1212-L1215 PolarHBondContact O-N 2.85Å; E1212-L1215 VanDerWaalsContact O-N 3.12Å; L1215-E1218 PolarHBondContact O-N 3.13Å; L1215-L1219 HydrophobicContact CD1-CD1 4.01Å; L1215-L1219 HydrophobicContact CD1-CG 4.12Å; L1215-L1219 HydrophobicContact CG-CD1 3.94Å; L1215-L1219 HydrophobicContact CG-CG 4.46Å; L1215-L1219 WeakPolarHBondContact O-CB 3.48Å; L1215-L1219 VanDerWaalsContact O-CG 3.24Å; L1215-L1219 WeakPolarHBondContact O-CG 3.25Å; L1215-L1219 PolarHBondContact O-N 2.9Å; L1215-L2195 HydrophobicContact CD1-CD2 3.49Å; L1215-L2195 VanDerWaalsContact CD1-CD2 3.49Å; L1215-P2201 HydrophobicContact CD2-CB 4.32Å; L1215-P2201 HydrophobicContact CD2-CG 3.84Å; L1215-W2204 VanDerWaalsContact CA-CH2 3.42Å; L1215-W2204 HydrophobicContact CB-CE3 4.38Å; L1215-W2204 HydrophobicContact CB-CH2 4.11Å; L1215-W2204 HydrophobicContact CB-CZ2 4.3Å; L1215-W2204 HydrophobicContact CB-CZ3 4.15Å; L1215-W2204 HydrophobicContact CD1-CD2 4.09Å; L1215-W2204 HydrophobicContact CD1-CH2 4.37Å; L1215-W2204 HydrophobicContact CD1-CZ2 3.69Å |
| 1216 | F | 90.7 | Very high | 81.5 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -65.7 | -38.8 | 178.9 | -58 | -43.7 | 0 | 0 | 0 | 112.4 | L1167 L1170 I1171 W1197 A1200 A1201 A1204 E1212 L1219 A1220 | L1167-F1216 HydrophobicContact CB-CE2 4.29Å; L1167-F1216 HydrophobicContact CB-CZ 4.39Å; L1167-F1216 HydrophobicContact CD2-CD2 4.47Å; L1167-F1216 HydrophobicContact CD2-CE2 3.8Å; L1167-F1216 HydrophobicContact CD2-CZ 4.36Å; L1167-F1216 HydrophobicContact CG-CE2 4.46Å; L1170-F1216 HydrophobicContact CB-CE1 3.84Å; L1170-F1216 HydrophobicContact CB-CZ 4.11Å; I1171-F1216 HydrophobicContact CD1-CZ 4.35Å; I1171-F1216 HydrophobicContact CG1-CE1 4.12Å; I1171-F1216 HydrophobicContact CG1-CZ 3.8Å; W1197-F1216 AromaticContact CE3-CD1 3.69Å; W1197-F1216 HydrophobicContact CE3-CD1 3.69Å; W1197-F1216 HydrophobicContact CE3-CE1 4.34Å; W1197-F1216 AromaticContact CZ3-CD1 3.81Å; W1197-F1216 HydrophobicContact CZ3-CD1 3.81Å; W1197-F1216 HydrophobicContact CZ3-CE1 4.03Å; A1200-F1216 HydrophobicContact CB-CB 4.35Å; A1200-F1216 HydrophobicContact CB-CD2 4.03Å; A1200-F1216 HydrophobicContact CB-CE2 4.48Å; A1200-F1216 HydrophobicContact CB-CG 4.07Å; A1201-F1216 HydrophobicContact CB-CB 3.89Å; A1204-F1216 HydrophobicContact CB-CD2 4.07Å; A1204-F1216 HydrophobicContact CB-CE2 4.22Å; E1212-F1216 HydrophobicContact CB-CD2 4.47Å; E1212-F1216 HydrophobicContact CB-CE2 3.95Å; E1212-F1216 WeakPolarHBondContact O-CD2 3.46Å; E1212-F1216 VanDerWaalsContact O-CG 3.31Å; E1212-F1216 WeakPolarHBondContact O-CG 3.48Å; E1212-F1216 PolarHBondContact O-N 3.4Å; F1216-L1219 HydrophobicContact CD1-CD1 4.45Å; F1216-L1219 PolarHBondContact O-N 3.17Å; F1216-A1220 WeakPolarHBondContact O-CB 3.38Å; F1216-A1220 PolarHBondContact O-N 2.82Å |
| 1217 | L | 89 | Confident | 80.7 | Confident | 1 Ų | 1 | 37.5 Ų | 37.5 | 1% | 0.005 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -68.4 | -37.5 | 176.3 | -173.9 | 61.1 | 0 | 0 | 0 | 112.7 | L1198 A1201 A1213 R1214 A1220 W1221 W1230 T1237 I1240 W1241 L1244 | L1198-L1217 HydrophobicContact CD1-CD1 3.72Å; A1201-L1217 HydrophobicContact CB-CB 4.07Å; A1213-L1217 VanDerWaalsContact O-CB 3.3Å; A1213-L1217 WeakPolarHBondContact O-CB 3.48Å; A1213-L1217 PolarHBondContact O-N 2.81Å; R1214-L1217 PolarHBondContact O-N 3.38Å; L1217-A1220 PolarHBondContact O-N 3.09Å; L1217-W1221 PolarHBondContact O-N 2.98Å; L1217-W1221 VanDerWaalsContact O-N 3.15Å; L1217-W1230 HydrophobicContact CD1-CH2 4.1Å; L1217-W1230 HydrophobicContact CD1-CZ3 4.02Å; L1217-T1237 HydrophobicContact CD1-CG2 4.29Å; L1217-I1240 HydrophobicContact CD1-CG2 4.46Å; L1217-I1240 HydrophobicContact CD2-CG2 4.04Å; L1217-W1241 HydrophobicContact CD2-CB 4.37Å; L1217-W1241 HydrophobicContact CD2-CE3 3.78Å; L1217-L1244 HydrophobicContact CD2-CD1 4.42Å |
| 1218 | E | 88.2 | Confident | 79.9 | Confident | 5 Ų | 5 | 42.5 Ų | 42.5 | 2% | 0.023 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -73.7 | -31.4 | 174.1 | -70.1 | -174.5 | -144.3 | 0 | 0 | 112 | R1214 L1215 W1221 L1222 W2204 R2208 P2279 | R1214-E1218 WeakPolarHBondContact CG-OE1 3.32Å; R1214-E1218 IonicContact NE-OE1 2.79Å; R1214-E1218 PolarHBondContact NE-OE1 3.4Å; R1214-E1218 WeakPolarHBondContact O-CB 3.39Å; R1214-E1218 WeakPolarHBondContact O-CG 3.43Å; R1214-E1218 PolarHBondContact O-N 3.29Å; L1215-E1218 PolarHBondContact O-N 3.13Å; E1218-W1221 PolarHBondContact O-N 2.86Å; E1218-L1222 VanDerWaalsContact O-CG 3.28Å; E1218-L1222 WeakPolarHBondContact O-CG 3.41Å; E1218-L1222 PolarHBondContact O-N 3.46Å; E1218-W2204 HydrophobicContact CB-CH2 3.97Å; E1218-W2204 HydrophobicContact CB-CZ2 3.92Å; E1218-W2204 HydrophobicContact CG-CH2 3.99Å; E1218-W2204 HydrophobicContact CG-CZ2 4.33Å; E1218-W2204 WeakPolarHBondContact OE2-CH2 3.29Å; E1218-W2204 WeakPolarHBondContact OE2-CZ2 3.03Å; E1218-R2208 IonicContact OE1-NH1 2.73Å; E1218-R2208 PolarHBondContact OE1-NH1 3.18Å; E1218-R2208 IonicContact OE2-CZ 3.85Å; E1218-R2208 IonicContact OE2-NE 2.69Å; E1218-R2208 IonicContact OE2-NH1 3.41Å; E1218-R2208 PolarHBondContact OE2-NH1 3.39Å; E1218-P2279 HydrophobicContact CG-CG 4.04Å |
| 1219 | L | 88.1 | Confident | 79.3 | Confident | 15 Ų | 15 | 38 Ų | 38 | 8% | 0.079 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -65.9 | -37.6 | 169.6 | -74.5 | 170.1 | 0 | 0 | 0 | 112.1 | N1174 W1197 L1215 F1216 W1221 L1222 S1223 L2195 | N1174-L1219 HydrophobicContact CB-CD1 4.32Å; W1197-L1219 HydrophobicContact CD2-CB 4.11Å; W1197-L1219 HydrophobicContact CD2-CD1 4.37Å; W1197-L1219 HydrophobicContact CE3-CB 4.43Å; W1197-L1219 HydrophobicContact CE3-CD1 4.01Å; W1197-L1219 HydrophobicContact CG-CB 4.19Å; W1197-L1219 HydrophobicContact CH2-CD1 4.12Å; W1197-L1219 HydrophobicContact CZ2-CD1 4.46Å; W1197-L1219 HydrophobicContact CZ3-CD1 3.86Å; L1215-L1219 HydrophobicContact CD1-CD1 4.01Å; L1215-L1219 HydrophobicContact CD1-CG 4.12Å; L1215-L1219 HydrophobicContact CG-CD1 3.94Å; L1215-L1219 HydrophobicContact CG-CG 4.46Å; L1215-L1219 WeakPolarHBondContact O-CB 3.48Å; L1215-L1219 VanDerWaalsContact O-CG 3.24Å; L1215-L1219 WeakPolarHBondContact O-CG 3.25Å; L1215-L1219 PolarHBondContact O-N 2.9Å; F1216-L1219 HydrophobicContact CD1-CD1 4.45Å; F1216-L1219 PolarHBondContact O-N 3.17Å; L1219-W1221 VanDerWaalsContact C-N 3.31Å; L1219-W1221 PolarHBondContact O-N 3.4Å; L1219-L1222 PolarHBondContact O-N 3.29Å; L1219-S1223 PolarHBondContact O-N 2.89Å; L1219-S1223 VanDerWaalsContact O-N 3.07Å; L1219-S1223 PolarHBondContact O-OG 3.47Å; L1219-L2195 HydrophobicContact CD2-CD1 4.15Å; L1219-L2195 HydrophobicContact CD2-CD2 4.24Å |
| 1220 | A | 86.2 | Confident | 79 | Confident | 8 Ų | 8 | 38.7 Ų | 38.7 | 7% | 0.066 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -66.1 | -30.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | W1197 F1216 L1217 S1223 W1230 | W1197-A1220 HydrophobicContact CB-CB 3.77Å; F1216-A1220 WeakPolarHBondContact O-CB 3.38Å; F1216-A1220 PolarHBondContact O-N 2.82Å; L1217-A1220 PolarHBondContact O-N 3.09Å; A1220-S1223 PolarHBondContact O-OG 3.45Å; A1220-W1230 HydrophobicContact CB-CH2 3.64Å; A1220-W1230 HydrophobicContact CB-CZ2 4.36Å; A1220-W1230 HydrophobicContact CB-CZ3 4.49Å |
| 1221 | W | 86.3 | Confident | 78.6 | Confident | 23 Ų | 23 | 37.5 Ų | 37.5 | 9% | 0.087 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -75.1 | -35.6 | 172.1 | 169.4 | 64.9 | 0 | 0 | 0 | 112.7 | L1217 E1218 L1219 C1226 W1230 A2191 H2275 P2279 | L1217-W1221 PolarHBondContact O-N 2.98Å; L1217-W1221 VanDerWaalsContact O-N 3.15Å; E1218-W1221 PolarHBondContact O-N 2.86Å; L1219-W1221 VanDerWaalsContact C-N 3.31Å; L1219-W1221 PolarHBondContact O-N 3.4Å; W1221-C1226 WeakPolarHBondContact O-CB 3.48Å; W1221-W1230 HydrophobicContact CB-CE3 3.81Å; W1221-W1230 HydrophobicContact CB-CZ3 3.68Å; W1221-W1230 HydrophobicContact CG-CE3 4.33Å; W1221-A2191 HydrophobicContact CZ3-CB 4.4Å; W1221-H2275 AromaticContact CH2-CD2 3.37Å; W1221-H2275 WeakPolarHBondContact CH2-CD2 3.38Å; W1221-H2275 AromaticContact CH2-NE2 3.86Å; W1221-H2275 AromaticContact CZ2-CD2 3.81Å; W1221-P2279 HydrophobicContact CB-CB 4.39Å; W1221-P2279 HydrophobicContact CD2-CB 3.68Å; W1221-P2279 HydrophobicContact CE3-CB 4.09Å; W1221-P2279 HydrophobicContact CG-CB 3.82Å; W1221-P2279 HydrophobicContact CZ2-CB 4.41Å |
| 1222 | L | 83.9 | Confident | 77.8 | Confident | 17 Ų | 17 | 36.1 Ų | 36.1 | 9% | 0.089 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -77.1 | -18.6 | 179.3 | -70.3 | 168.9 | 0 | 0 | 0 | 113.5 | E1218 L1219 D1224 A2191 Y2192 L2195 | E1218-L1222 VanDerWaalsContact O-CG 3.28Å; E1218-L1222 WeakPolarHBondContact O-CG 3.41Å; E1218-L1222 PolarHBondContact O-N 3.46Å; L1219-L1222 PolarHBondContact O-N 3.29Å; L1222-D1224 PolarHBondContact O-N 3.05Å; L1222-A2191 HydrophobicContact CD2-CB 4.21Å; L1222-Y2192 HydrophobicContact CB-CE1 4.15Å; L1222-Y2192 HydrophobicContact CD1-CD1 4.29Å; L1222-Y2192 HydrophobicContact CD1-CE1 3.93Å; L1222-Y2192 HydrophobicContact CD2-CE1 4.14Å; L1222-Y2192 HydrophobicContact CD2-CE2 4.42Å; L1222-Y2192 HydrophobicContact CG-CE1 4.3Å; L1222-Y2192 PolarHBondContact O-OH 3.19Å; L1222-L2195 HydrophobicContact CD1-CD1 3.62Å |
| 1223 | S | 73.3 | Confident | 76.9 | Confident | 58 Ų | 58 | 39.4 Ų | 39.4 | 41% | 0.406 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | 104.4 | 172.8 | 49.2 | 0 | 0 | 0 | 0 | 112.2 | L1219 A1220 | L1219-S1223 PolarHBondContact O-N 2.89Å; L1219-S1223 VanDerWaalsContact O-N 3.07Å; L1219-S1223 PolarHBondContact O-OG 3.47Å; A1220-S1223 PolarHBondContact O-OG 3.45Å |
| 1224 | D | 53.9 | Low | 76.3 | Confident | 150 Ų | 150 | 42 Ų | 42 | 80% | 0.802 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 45 | 87.8 | 167.4 | -73.8 | -10.3 | 0 | 0 | 0 | 118 | L1222 C1226 | L1222-D1224 PolarHBondContact O-N 3.05Å; D1224-C1226 PolarHBondContact O-N 3.1Å |
| 1225 | N | 59.6 | Low | 75.7 | Confident | 104 Ų | 104 | 47.3 Ų | 47.3 | 56% | 0.556 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.1 | 28.1 | 157.2 | -77.6 | -38 | 0 | 0 | 0 | 117.1 | K2187 | N1225-K2187 WeakPolarHBondContact OD1-CE 3.32Å; N1225-K2187 PolarHBondContact OD1-NZ 2.9Å |
| 1226 | C | 66.7 | Low | 75.2 | Confident | 28 Ų | 28 | 49.8 Ų | 49.8 | 19% | 0.189 | 28% | 0.275 | C | S | . | . | trans | -48.9 | 136.6 | 161.1 | -67 | 0 | 0 | 0 | 0 | 111.2 | W1221 D1224 W1230 | W1221-C1226 WeakPolarHBondContact O-CB 3.48Å; D1224-C1226 PolarHBondContact O-N 3.1Å; C1226-W1230 HydrophobicContact CB-CB 4.1Å; C1226-W1230 HydrophobicContact CB-CD2 4.23Å; C1226-W1230 HydrophobicContact CB-CG 3.87Å | ||
| 1227 | P | 65.3 | Low | 74.9 | Confident | 76 Ų | 76 | 49.8 Ų | 49.8 | 49% | 0.494 | 28% | 0.275 | S | S | . | . | trans | -71 | 162.3 | 174.4 | 30.8 | -35.6 | 0 | 0 | 0 | 111.2 | D1229 W1230 | P1227-D1229 PolarHBondContact O-N 3.04Å; P1227-W1230 HydrophobicContact CG-CB 4.23Å; P1227-W1230 WeakPolarHBondContact O-CB 3.21Å; P1227-W1230 PolarHBondContact O-N 3.23Å; P1227-W1230 VanDerWaalsContact O-N 3.09Å | ||
| 1228 | D | 63.6 | Low | 74.6 | Confident | 142 Ų | 142 | 49.9 Ų | 49.9 | 76% | 0.759 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -32.3 | -179.1 | -60.4 | -36.3 | 0 | 0 | 0 | 112.1 | W1230 | D1228-W1230 VanDerWaalsContact C-N 3.29Å; D1228-W1230 PolarHBondContact O-N 3.44Å |
| 1229 | D | 66.1 | Low | 74.4 | Confident | 69 Ų | 69 | 54.9 Ų | 54.9 | 37% | 0.369 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | 17.4 | 177 | -62 | -34.1 | 0 | 0 | 0 | 114.3 | P1227 I1231 T1232 T1233 | P1227-D1229 PolarHBondContact O-N 3.04Å; D1229-I1231 VanDerWaalsContact C-N 3.34Å; D1229-I1231 PolarHBondContact O-N 3.32Å; D1229-T1232 PolarHBondContact O-N 2.86Å; D1229-T1232 VanDerWaalsContact O-N 3.11Å; D1229-T1232 PolarHBondContact O-OG1 3.5Å; D1229-T1233 HydrophobicContact CB-CG2 4.01Å; D1229-T1233 WeakPolarHBondContact O-CG2 3.26Å; D1229-T1233 PolarHBondContact O-N 3.26Å; D1229-T1233 PolarHBondContact O-OG1 3.24Å |
| 1230 | W | 74.8 | Confident | 74.3 | Confident | 35 Ų | 35 | 54.1 Ų | 54.1 | 13% | 0.133 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -58.5 | -36.8 | -170.3 | 179.8 | 71.6 | 0 | 0 | 0 | 114.5 | L1198 L1217 A1220 W1221 C1226 P1227 D1228 T1233 T1237 | L1198-W1230 HydrophobicContact CD1-CH2 4.09Å; L1198-W1230 HydrophobicContact CD1-CZ2 4.45Å; L1217-W1230 HydrophobicContact CD1-CH2 4.1Å; L1217-W1230 HydrophobicContact CD1-CZ3 4.02Å; A1220-W1230 HydrophobicContact CB-CH2 3.64Å; A1220-W1230 HydrophobicContact CB-CZ2 4.36Å; A1220-W1230 HydrophobicContact CB-CZ3 4.49Å; W1221-W1230 HydrophobicContact CB-CE3 3.81Å; W1221-W1230 HydrophobicContact CB-CZ3 3.68Å; W1221-W1230 HydrophobicContact CG-CE3 4.33Å; C1226-W1230 HydrophobicContact CB-CB 4.1Å; C1226-W1230 HydrophobicContact CB-CD2 4.23Å; C1226-W1230 HydrophobicContact CB-CG 3.87Å; P1227-W1230 HydrophobicContact CG-CB 4.23Å; P1227-W1230 WeakPolarHBondContact O-CB 3.21Å; P1227-W1230 PolarHBondContact O-N 3.23Å; P1227-W1230 VanDerWaalsContact O-N 3.09Å; D1228-W1230 VanDerWaalsContact C-N 3.29Å; D1228-W1230 PolarHBondContact O-N 3.44Å; W1230-T1233 WeakPolarHBondContact CA-OG1 3.49Å; W1230-T1233 PolarHBondContact O-OG1 2.69Å; W1230-T1237 HydrophobicContact CD2-CG2 4.07Å; W1230-T1237 HydrophobicContact CE3-CG2 4.04Å; W1230-T1237 HydrophobicContact CH2-CG2 3.43Å; W1230-T1237 VanDerWaalsContact CH2-CG2 3.43Å; W1230-T1237 HydrophobicContact CZ2-CG2 3.46Å; W1230-T1237 VanDerWaalsContact CZ2-CG2 3.46Å; W1230-T1237 HydrophobicContact CZ3-CG2 3.73Å; W1230-T1237 PolarHBondContact O-OG1 2.84Å |
| 1231 | I | 75 | Confident | 74.3 | Confident | 1 Ų | 1 | 53.8 Ų | 53.8 | 1% | 0.005 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -70.7 | -33.3 | 178.5 | -70.8 | -173.6 | 0 | 0 | 0 | 112 | D1229 T1237 Y1238 W1241 P2279 L2280 | D1229-I1231 VanDerWaalsContact C-N 3.34Å; D1229-I1231 PolarHBondContact O-N 3.32Å; I1231-T1237 PolarHBondContact O-OG1 2.95Å; I1231-Y1238 WeakPolarHBondContact O-CB 3.39Å; I1231-Y1238 PolarHBondContact O-N 2.93Å; I1231-W1241 HydrophobicContact CD1-CD2 4.12Å; I1231-W1241 HydrophobicContact CD1-CE3 3.61Å; I1231-W1241 HydrophobicContact CD1-CZ3 4.02Å; I1231-W1241 HydrophobicContact CG2-CB 4.04Å; I1231-W1241 HydrophobicContact CG2-CD2 4.49Å; I1231-W1241 HydrophobicContact CG2-CG 4.08Å; I1231-P2279 HydrophobicContact CD1-CB 3.59Å; I1231-P2279 HydrophobicContact CD1-CG 3.46Å; I1231-P2279 VanDerWaalsContact CD1-CG 3.46Å; I1231-P2279 HydrophobicContact CG1-CB 4.23Å; I1231-L2280 HydrophobicContact CB-CD2 4.03Å; I1231-L2280 HydrophobicContact CD1-CG 4.37Å; I1231-L2280 HydrophobicContact CG2-CD2 4.08Å |
| 1232 | T | 67.5 | Low | 74.1 | Confident | 15 Ų | 15 | 53.1 Ų | 53.1 | 9% | 0.092 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -86.3 | -23.1 | -178.9 | 30.7 | 0 | 0 | 0 | 0 | 114.4 | D1229 Y1238 S1260 F1261 | D1229-T1232 PolarHBondContact O-N 2.86Å; D1229-T1232 VanDerWaalsContact O-N 3.11Å; D1229-T1232 PolarHBondContact O-OG1 3.5Å; T1232-Y1238 HydrophobicContact CG2-CE2 4.32Å; T1232-S1260 WeakPolarHBondContact CG2-OG 3.25Å; T1232-F1261 HydrophobicContact CG2-CB 4.1Å; T1232-F1261 HydrophobicContact CG2-CD2 4.29Å |
| 1233 | T | 69.1 | Low | 74 | Confident | 76 Ų | 76 | 55 Ų | 55 | 47% | 0.466 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -89 | -15.7 | -177.5 | 45.7 | 0 | 0 | 0 | 0 | 114.2 | D1229 W1230 | D1229-T1233 HydrophobicContact CB-CG2 4.01Å; D1229-T1233 WeakPolarHBondContact O-CG2 3.26Å; D1229-T1233 PolarHBondContact O-N 3.26Å; D1229-T1233 PolarHBondContact O-OG1 3.24Å; W1230-T1233 WeakPolarHBondContact CA-OG1 3.49Å; W1230-T1233 PolarHBondContact O-OG1 2.69Å |
| 1234 | N | 76.6 | Confident | 74.5 | Confident | 54 Ų | 54 | 52.3 Ų | 52.3 | 29% | 0.289 | 28% | 0.277 | S | S | . | . | trans | -120 | 123 | -179.7 | 171.3 | -4.3 | 0 | 0 | 0 | 110.8 | V1236 T1237 Y1238 | N1234-V1236 VanDerWaalsContact C-N 3.28Å; N1234-V1236 PolarHBondContact O-N 3.03Å; N1234-V1236 WeakPolarHBondContact OD1-CB 3.37Å; N1234-V1236 PolarHBondContact OD1-N 2.75Å; N1234-T1237 VanDerWaalsContact CB-OG1 3.28Å; N1234-T1237 WeakPolarHBondContact CB-OG1 3.32Å; N1234-T1237 PolarHBondContact O-N 3.31Å; N1234-T1237 PolarHBondContact O-OG1 3.42Å; N1234-Y1238 WeakPolarHBondContact O-CB 3.4Å; N1234-Y1238 PolarHBondContact O-N 3.23Å | ||
| 1235 | E | 76 | Confident | 75.7 | Confident | 115 Ų | 115 | 45.2 Ų | 45.2 | 54% | 0.537 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -61.3 | -33.5 | -177.9 | 177.8 | 170.2 | -158.6 | 0 | 0 | 112.9 | Y1238 R1239 L1283 | E1235-Y1238 PolarHBondContact O-N 3.04Å; E1235-R1239 VanDerWaalsContact O-CB 3.31Å; E1235-R1239 WeakPolarHBondContact O-CB 3.43Å; E1235-R1239 PolarHBondContact O-N 3.32Å; E1235-L1283 HydrophobicContact CB-CD1 4.24Å; E1235-L1283 HydrophobicContact CG-CD1 4.05Å; E1235-L1283 HydrophobicContact CG-CD2 4.13Å |
| 1236 | V | 80.3 | Confident | 76.4 | Confident | 53 Ų | 53 | 44.2 Ų | 44.2 | 32% | 0.321 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -70.7 | -45.5 | -178.3 | -175.7 | 0 | 0 | 0 | 0 | 110.7 | L1198 N1234 Y1238 R1239 I1240 | L1198-V1236 HydrophobicContact CD2-CB 4.41Å; L1198-V1236 HydrophobicContact CD2-CG1 3.9Å; L1198-V1236 HydrophobicContact CG-CG1 4.47Å; N1234-V1236 VanDerWaalsContact C-N 3.28Å; N1234-V1236 PolarHBondContact O-N 3.03Å; N1234-V1236 WeakPolarHBondContact OD1-CB 3.37Å; N1234-V1236 PolarHBondContact OD1-N 2.75Å; V1236-Y1238 VanDerWaalsContact C-N 3.33Å; V1236-Y1238 PolarHBondContact O-N 3.39Å; V1236-R1239 PolarHBondContact O-N 3.4Å; V1236-I1240 HydrophobicContact CG1-CD1 3.97Å; V1236-I1240 WeakPolarHBondContact O-CD1 3.36Å; V1236-I1240 VanDerWaalsContact O-CG1 3.25Å; V1236-I1240 WeakPolarHBondContact O-CG1 3.43Å; V1236-I1240 PolarHBondContact O-N 2.94Å |
| 1237 | T | 84.3 | Confident | 76.8 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63.3 | -40.1 | 174.4 | 44.5 | 0 | 0 | 0 | 0 | 111.5 | L1198 L1217 W1230 I1231 N1234 I1240 W1241 | L1198-T1237 HydrophobicContact CD1-CG2 3.61Å; L1217-T1237 HydrophobicContact CD1-CG2 4.29Å; W1230-T1237 HydrophobicContact CD2-CG2 4.07Å; W1230-T1237 HydrophobicContact CE3-CG2 4.04Å; W1230-T1237 HydrophobicContact CH2-CG2 3.43Å; W1230-T1237 VanDerWaalsContact CH2-CG2 3.43Å; W1230-T1237 HydrophobicContact CZ2-CG2 3.46Å; W1230-T1237 VanDerWaalsContact CZ2-CG2 3.46Å; W1230-T1237 HydrophobicContact CZ3-CG2 3.73Å; W1230-T1237 PolarHBondContact O-OG1 2.84Å; I1231-T1237 PolarHBondContact O-OG1 2.95Å; N1234-T1237 VanDerWaalsContact CB-OG1 3.28Å; N1234-T1237 WeakPolarHBondContact CB-OG1 3.32Å; N1234-T1237 PolarHBondContact O-N 3.31Å; N1234-T1237 PolarHBondContact O-OG1 3.42Å; T1237-I1240 PolarHBondContact O-N 3.38Å; T1237-W1241 WeakPolarHBondContact O-CB 3.2Å; T1237-W1241 PolarHBondContact O-N 2.7Å |
| 1238 | Y | 82.8 | Confident | 77 | Confident | 3 Ų | 3 | 44.9 Ų | 44.9 | 1% | 0.012 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62.8 | -46 | 176.3 | -162.9 | -96.2 | 0 | 0 | 0 | 111.8 | I1231 T1232 N1234 E1235 V1236 I1240 W1241 V1242 F1261 L1283 T1287 | I1231-Y1238 WeakPolarHBondContact O-CB 3.39Å; I1231-Y1238 PolarHBondContact O-N 2.93Å; T1232-Y1238 HydrophobicContact CG2-CE2 4.32Å; N1234-Y1238 WeakPolarHBondContact O-CB 3.4Å; N1234-Y1238 PolarHBondContact O-N 3.23Å; E1235-Y1238 PolarHBondContact O-N 3.04Å; V1236-Y1238 VanDerWaalsContact C-N 3.33Å; V1236-Y1238 PolarHBondContact O-N 3.39Å; Y1238-I1240 PolarHBondContact O-N 3.09Å; Y1238-W1241 PolarHBondContact O-N 3.28Å; Y1238-V1242 HydrophobicContact CD1-CG2 4.05Å; Y1238-V1242 HydrophobicContact CE1-CG2 3.95Å; Y1238-V1242 WeakPolarHBondContact O-CG2 3.33Å; Y1238-V1242 PolarHBondContact O-N 2.71Å; Y1238-F1261 HydrophobicContact CE2-CD2 4.15Å; Y1238-L1283 HydrophobicContact CD1-CB 4.03Å; Y1238-L1283 HydrophobicContact CD1-CD1 4.07Å; Y1238-L1283 HydrophobicContact CD1-CD2 4.34Å; Y1238-L1283 HydrophobicContact CD1-CG 4.38Å; Y1238-L1283 HydrophobicContact CE1-CB 3.7Å; Y1238-L1283 HydrophobicContact CG-CD1 4.45Å; Y1238-T1287 HydrophobicContact CE1-CG2 3.77Å; Y1238-T1287 WeakPolarHBondContact OH-CG2 3.37Å; Y1238-T1287 PolarHBondContact OH-OG1 3.41Å |
| 1239 | R | 83.6 | Confident | 77.2 | Confident | 110 Ų | 110 | 38.9 Ų | 38.9 | 42% | 0.415 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -58.9 | -48.2 | 176.3 | -176.9 | -176.6 | 74.1 | -141 | 6.9 | 111.7 | D1202 E1235 V1236 W1241 V1242 N1243 | D1202-R1239 IonicContact OD2-CZ 2.79Å; D1202-R1239 IonicContact OD2-NH2 2.87Å; D1202-R1239 PolarHBondContact OD2-NH2 3.34Å; E1235-R1239 VanDerWaalsContact O-CB 3.31Å; E1235-R1239 WeakPolarHBondContact O-CB 3.43Å; E1235-R1239 PolarHBondContact O-N 3.32Å; V1236-R1239 PolarHBondContact O-N 3.4Å; R1239-W1241 VanDerWaalsContact C-N 3.35Å; R1239-V1242 PolarHBondContact O-N 3.28Å; R1239-N1243 WeakPolarHBondContact O-CB 3.24Å; R1239-N1243 VanDerWaalsContact O-CG 3.31Å; R1239-N1243 PolarHBondContact O-N 3.11Å |
| 1240 | I | 84.6 | Confident | 77.5 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -61.5 | -45.8 | 178.4 | -63.8 | 163.7 | 0 | 0 | 0 | 109.5 | L1198 A1201 D1202 T1205 L1217 V1236 T1237 Y1238 V1242 N1243 L1244 | L1198-I1240 HydrophobicContact CD1-CD1 3.7Å; L1198-I1240 HydrophobicContact CG-CD1 3.84Å; A1201-I1240 HydrophobicContact CB-CG2 4.1Å; D1202-I1240 HydrophobicContact CB-CD1 3.77Å; D1202-I1240 HydrophobicContact CB-CG1 3.87Å; T1205-I1240 HydrophobicContact CG2-CG2 4.05Å; L1217-I1240 HydrophobicContact CD1-CG2 4.46Å; L1217-I1240 HydrophobicContact CD2-CG2 4.04Å; V1236-I1240 HydrophobicContact CG1-CD1 3.97Å; V1236-I1240 WeakPolarHBondContact O-CD1 3.36Å; V1236-I1240 VanDerWaalsContact O-CG1 3.25Å; V1236-I1240 WeakPolarHBondContact O-CG1 3.43Å; V1236-I1240 PolarHBondContact O-N 2.94Å; T1237-I1240 PolarHBondContact O-N 3.38Å; Y1238-I1240 PolarHBondContact O-N 3.09Å; I1240-V1242 PolarHBondContact O-N 3.01Å; I1240-N1243 PolarHBondContact O-N 3.04Å; I1240-L1244 WeakPolarHBondContact O-CB 3.46Å; I1240-L1244 PolarHBondContact O-N 2.83Å |
| 1241 | W | 86.3 | Confident | 77.3 | Confident | 1 Ų | 1 | 34.6 Ų | 34.6 | 0% | 0.004 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -59.8 | -46.7 | 178.3 | -175 | -93.1 | 0 | 0 | 0 | 112.8 | L1217 I1231 T1237 Y1238 R1239 L1244 C1245 G1253 P2279 L2280 T2284 | L1217-W1241 HydrophobicContact CD2-CB 4.37Å; L1217-W1241 HydrophobicContact CD2-CE3 3.78Å; I1231-W1241 HydrophobicContact CD1-CD2 4.12Å; I1231-W1241 HydrophobicContact CD1-CE3 3.61Å; I1231-W1241 HydrophobicContact CD1-CZ3 4.02Å; I1231-W1241 HydrophobicContact CG2-CB 4.04Å; I1231-W1241 HydrophobicContact CG2-CD2 4.49Å; I1231-W1241 HydrophobicContact CG2-CG 4.08Å; T1237-W1241 WeakPolarHBondContact O-CB 3.2Å; T1237-W1241 PolarHBondContact O-N 2.7Å; Y1238-W1241 PolarHBondContact O-N 3.28Å; R1239-W1241 VanDerWaalsContact C-N 3.35Å; W1241-L1244 PolarHBondContact O-N 3.14Å; W1241-C1245 PolarHBondContact NE1-SG 3.44Å; W1241-C1245 VanDerWaalsContact NE1-SG 3.43Å; W1241-C1245 WeakPolarHBondContact O-CB 3.35Å; W1241-C1245 PolarHBondContact O-N 2.92Å; W1241-C1245 PolarHBondContact O-SG 3.18Å; W1241-G1253 PolarHBondContact NE1-O 2.99Å; W1241-P2279 HydrophobicContact CZ3-CG 4.17Å; W1241-L2280 HydrophobicContact CD2-CD1 4.28Å; W1241-L2280 HydrophobicContact CH2-CD1 4.47Å; W1241-L2280 HydrophobicContact CZ2-CD1 3.66Å; W1241-L2280 HydrophobicContact CZ2-CG 4.4Å; W1241-T2284 HydrophobicContact CH2-CG2 3.8Å; W1241-T2284 HydrophobicContact CZ2-CG2 3.56Å |
| 1242 | V | 82.2 | Confident | 77.1 | Confident | 8 Ų | 8 | 34.7 Ų | 34.7 | 5% | 0.048 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -64.8 | -42 | 178.6 | 174.1 | 0 | 0 | 0 | 0 | 111.8 | Y1238 R1239 I1240 R1246 L1254 T1287 A1290 | Y1238-V1242 HydrophobicContact CD1-CG2 4.05Å; Y1238-V1242 HydrophobicContact CE1-CG2 3.95Å; Y1238-V1242 WeakPolarHBondContact O-CG2 3.33Å; Y1238-V1242 PolarHBondContact O-N 2.71Å; R1239-V1242 PolarHBondContact O-N 3.28Å; I1240-V1242 PolarHBondContact O-N 3.01Å; V1242-R1246 WeakPolarHBondContact O-CB 3.48Å; V1242-R1246 PolarHBondContact O-N 3.17Å; V1242-L1254 HydrophobicContact CB-CD2 4.25Å; V1242-L1254 HydrophobicContact CG1-CD2 4.01Å; V1242-L1254 HydrophobicContact CG2-CD2 4.2Å; V1242-T1287 HydrophobicContact CG2-CG2 3.5Å; V1242-T1287 VanDerWaalsContact CG2-CG2 3.5Å; V1242-A1290 HydrophobicContact CG1-CB 4.09Å |
| 1243 | N | 81.7 | Confident | 77.5 | Confident | 57 Ų | 57 | 34 Ų | 34 | 31% | 0.305 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -65.1 | -42.2 | 176.2 | -74.1 | -10.3 | 0 | 0 | 0 | 111.7 | R1239 I1240 R1246 L1247 | R1239-N1243 WeakPolarHBondContact O-CB 3.24Å; R1239-N1243 VanDerWaalsContact O-CG 3.31Å; R1239-N1243 PolarHBondContact O-N 3.11Å; I1240-N1243 PolarHBondContact O-N 3.04Å; N1243-R1246 PolarHBondContact O-N 3.45Å; N1243-L1247 WeakPolarHBondContact O-CB 3.16Å; N1243-L1247 WeakPolarHBondContact O-CD1 3.5Å; N1243-L1247 VanDerWaalsContact O-CG 3.28Å; N1243-L1247 WeakPolarHBondContact O-CG 3.31Å; N1243-L1247 PolarHBondContact O-N 2.76Å |
| 1244 | L | 84 | Confident | 77.8 | Confident | 2 Ų | 2 | 30.4 Ų | 30.4 | 1% | 0.01 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -63.2 | -45.2 | 177.1 | -172.3 | 164.8 | 0 | 0 | 0 | 111.7 | T1205 A1213 R1214 L1217 I1240 W1241 L1247 S1248 | T1205-L1244 HydrophobicContact CG2-CB 4.05Å; A1213-L1244 HydrophobicContact CB-CD1 3.89Å; A1213-L1244 HydrophobicContact CB-CG 4.36Å; R1214-L1244 HydrophobicContact CB-CD1 3.84Å; R1214-L1244 HydrophobicContact CB-CD2 4.22Å; R1214-L1244 HydrophobicContact CG-CD1 4.31Å; R1214-L1244 HydrophobicContact CG-CD2 4.39Å; L1217-L1244 HydrophobicContact CD2-CD1 4.42Å; I1240-L1244 WeakPolarHBondContact O-CB 3.46Å; I1240-L1244 PolarHBondContact O-N 2.83Å; W1241-L1244 PolarHBondContact O-N 3.14Å; L1244-L1247 PolarHBondContact O-N 3.03Å; L1244-S1248 WeakPolarHBondContact O-CB 3.3Å; L1244-S1248 PolarHBondContact O-N 3.34Å; L1244-S1248 PolarHBondContact O-OG 2.74Å |
| 1245 | C | 80.7 | Confident | 77.7 | Confident | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -66 | -38.3 | 176.9 | -65.3 | 0 | 0 | 0 | 0 | 111.8 | W1241 S1248 G1249 D1250 L1254 | W1241-C1245 PolarHBondContact NE1-SG 3.44Å; W1241-C1245 VanDerWaalsContact NE1-SG 3.43Å; W1241-C1245 WeakPolarHBondContact O-CB 3.35Å; W1241-C1245 PolarHBondContact O-N 2.92Å; W1241-C1245 PolarHBondContact O-SG 3.18Å; C1245-S1248 WeakPolarHBondContact CA-OG 3.3Å; C1245-S1248 PolarHBondContact O-N 3.25Å; C1245-S1248 PolarHBondContact O-OG 3.14Å; C1245-G1249 CarbonylContact O-C 3.32Å; C1245-G1249 WeakPolarHBondContact O-CA 3.37Å; C1245-G1249 PolarHBondContact O-N 3.37Å; C1245-D1250 HydrophobicContact CB-CB 4.24Å; C1245-D1250 WeakPolarHBondContact CB-O 3.26Å; C1245-D1250 PolarHBondContact O-N 3.11Å; C1245-L1254 HydrophobicContact CB-CD2 3.58Å; C1245-L1254 HydrophobicContact CB-CG 3.62Å |
| 1246 | R | 74.2 | Confident | 77.7 | Confident | 83 Ų | 83 | 23.6 Ų | 23.6 | 31% | 0.313 | 12% | 0.12 | S | C | . | . | H | α-helix | trans | -59.7 | -44.7 | 169.9 | -83.4 | 178.7 | 161.5 | 134.9 | -5.9 | 112.5 | V1242 N1243 A1290 E1293 | V1242-R1246 WeakPolarHBondContact O-CB 3.48Å; V1242-R1246 PolarHBondContact O-N 3.17Å; N1243-R1246 PolarHBondContact O-N 3.45Å; R1246-A1290 HydrophobicContact CG-CB 4.18Å; R1246-E1293 IonicContact CZ-OE2 3.8Å; R1246-E1293 IonicContact NE-OE2 2.79Å; R1246-E1293 PolarHBondContact NE-OE2 3.45Å; R1246-E1293 IonicContact NH2-OE1 3.68Å; R1246-E1293 IonicContact NH2-OE2 2.69Å; R1246-E1293 PolarHBondContact NH2-OE2 3.43Å |
| 1247 | L | 74 | Confident | 77.4 | Confident | 76 Ų | 76 | 21.1 Ų | 21.1 | 40% | 0.398 | 10% | 0.104 | S | C | . | . | H | α-helix | trans | -68.9 | -33.8 | -179.7 | -75.1 | 163.8 | 0 | 0 | 0 | 113.6 | T1205 K1208 P1210 N1243 L1244 | T1205-L1247 HydrophobicContact CG2-CD1 4.39Å; T1205-L1247 WeakPolarHBondContact O-CD1 3.01Å; K1208-L1247 HydrophobicContact CG-CD2 4.27Å; P1210-L1247 HydrophobicContact CB-CB 4.49Å; N1243-L1247 WeakPolarHBondContact O-CB 3.16Å; N1243-L1247 WeakPolarHBondContact O-CD1 3.5Å; N1243-L1247 VanDerWaalsContact O-CG 3.28Å; N1243-L1247 WeakPolarHBondContact O-CG 3.31Å; N1243-L1247 PolarHBondContact O-N 2.76Å; L1244-L1247 PolarHBondContact O-N 3.03Å |
| 1248 | S | 69.6 | Low | 76.9 | Confident | 43 Ų | 43 | 23 Ų | 23 | 30% | 0.301 | 11% | 0.113 | S | C | . | . | H | α-helix | trans | -90.8 | -11.8 | -179.9 | 52.5 | 0 | 0 | 0 | 0 | 114.1 | L1244 C1245 D1250 | L1244-S1248 WeakPolarHBondContact O-CB 3.3Å; L1244-S1248 PolarHBondContact O-N 3.34Å; L1244-S1248 PolarHBondContact O-OG 2.74Å; C1245-S1248 WeakPolarHBondContact CA-OG 3.3Å; C1245-S1248 PolarHBondContact O-N 3.25Å; C1245-S1248 PolarHBondContact O-OG 3.14Å; S1248-D1250 VanDerWaalsContact C-N 3.25Å |
| 1249 | G | 67.9 | Low | 76.4 | Confident | 15 Ų | 15 | 24.9 Ų | 24.9 | 16% | 0.155 | 13% | 0.125 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 71.9 | 16.8 | -170.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | C1245 L1251 | C1245-G1249 CarbonylContact O-C 3.32Å; C1245-G1249 WeakPolarHBondContact O-CA 3.37Å; C1245-G1249 PolarHBondContact O-N 3.37Å; G1249-L1251 VanDerWaalsContact C-N 3.29Å; G1249-L1251 PolarHBondContact O-N 3.16Å |
| 1250 | D | 72 | Confident | 75.6 | Confident | 12 Ų | 12 | 20.3 Ų | 20.3 | 6% | 0.064 | 11% | 0.11 | C | C | . | . | trans | -75.6 | 77.5 | -179 | -172.1 | 2.3 | 0 | 0 | 0 | 111.5 | R1214 C1245 S1248 M1252 G1253 L1254 | R1214-D1250 IonicContact CZ-OD2 3.71Å; R1214-D1250 IonicContact NH1-OD2 3.88Å; R1214-D1250 PolarHBondContact NH1-OD2 3.2Å; R1214-D1250 IonicContact NH2-OD2 3.25Å; C1245-D1250 HydrophobicContact CB-CB 4.24Å; C1245-D1250 WeakPolarHBondContact CB-O 3.26Å; C1245-D1250 PolarHBondContact O-N 3.11Å; S1248-D1250 VanDerWaalsContact C-N 3.25Å; D1250-M1252 PolarHBondContact O-N 3.13Å; D1250-M1252 PolarHBondContact OD1-N 3.42Å; D1250-G1253 PolarHBondContact O-N 3.37Å; D1250-G1253 PolarHBondContact OD1-N 3.22Å; D1250-L1254 PolarHBondContact O-N 3.3Å | ||
| 1251 | L | 71.6 | Confident | 74.7 | Confident | 3 Ų | 3 | 21.1 Ų | 21.1 | 2% | 0.016 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -55.6 | -36 | 172.4 | 179.4 | 72.5 | 0 | 0 | 0 | 111.8 | G1249 L1254 I1255 V1291 L1294 L1295 Y2098 | G1249-L1251 VanDerWaalsContact C-N 3.29Å; G1249-L1251 PolarHBondContact O-N 3.16Å; L1251-L1254 PolarHBondContact O-N 3.16Å; L1251-I1255 HydrophobicContact CD1-CD1 4.11Å; L1251-I1255 HydrophobicContact CD1-CG1 4.36Å; L1251-I1255 HydrophobicContact CD2-CD1 4.05Å; L1251-I1255 HydrophobicContact CG-CD1 3.8Å; L1251-I1255 HydrophobicContact CG-CG1 4.34Å; L1251-I1255 WeakPolarHBondContact O-CG1 3.37Å; L1251-I1255 PolarHBondContact O-N 2.86Å; L1251-V1291 HydrophobicContact CD1-CB 4.46Å; L1251-V1291 HydrophobicContact CD1-CG1 4.12Å; L1251-L1294 HydrophobicContact CB-CB 4.5Å; L1251-L1294 HydrophobicContact CB-CD1 4.22Å; L1251-L1294 HydrophobicContact CD1-CB 3.97Å; L1251-L1295 HydrophobicContact CD1-CD2 4.29Å; L1251-L1295 HydrophobicContact CD1-CG 3.86Å; L1251-L1295 HydrophobicContact CD2-CD2 3.55Å; L1251-L1295 HydrophobicContact CD2-CG 4.07Å; L1251-Y2098 HydrophobicContact CB-CD1 4.17Å; L1251-Y2098 HydrophobicContact CB-CG 4.43Å; L1251-Y2098 HydrophobicContact CD2-CD1 4.29Å; L1251-Y2098 HydrophobicContact CD2-CD2 4.12Å; L1251-Y2098 HydrophobicContact CD2-CG 3.71Å |
| 1252 | M | 70.6 | Confident | 73.8 | Confident | 3 Ų | 3 | 24.8 Ų | 24.8 | 2% | 0.015 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -71.4 | -37.2 | -176.5 | -59.8 | -36 | -46.8 | 0 | 0 | 111.5 | D1250 L1254 I1255 A1256 R2099 W2102 P2288 | D1250-M1252 PolarHBondContact O-N 3.13Å; D1250-M1252 PolarHBondContact OD1-N 3.42Å; M1252-L1254 VanDerWaalsContact C-N 3.32Å; M1252-L1254 PolarHBondContact O-N 3.1Å; M1252-I1255 HydrophobicContact CE-CB 4.24Å; M1252-I1255 HydrophobicContact CE-CD1 4.05Å; M1252-I1255 HydrophobicContact CE-CG2 4.36Å; M1252-I1255 PolarHBondContact O-N 3.44Å; M1252-A1256 WeakPolarHBondContact O-CB 3.34Å; M1252-A1256 PolarHBondContact O-N 3.36Å; M1252-R2099 HydrophobicContact CE-CG 4.01Å; M1252-R2099 HydrophobicContact SD-CG 3.61Å; M1252-W2102 HydrophobicContact CG-CD2 4.49Å; M1252-W2102 HydrophobicContact CG-CE3 4.28Å; M1252-P2288 HydrophobicContact CB-CG 4.47Å; M1252-P2288 HydrophobicContact CE-CB 3.75Å; M1252-P2288 HydrophobicContact CE-CG 3.33Å; M1252-P2288 HydrophobicContact CG-CB 4.31Å; M1252-P2288 HydrophobicContact CG-CG 4.36Å; M1252-P2288 HydrophobicContact SD-CB 4.37Å; M1252-P2288 HydrophobicContact SD-CG 4.45Å |
| 1253 | G | 74.9 | Confident | 72.8 | Confident | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -60.3 | -36.7 | 169.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | W1241 D1250 S1257 | W1241-G1253 PolarHBondContact NE1-O 2.99Å; D1250-G1253 PolarHBondContact O-N 3.37Å; D1250-G1253 PolarHBondContact OD1-N 3.22Å; G1253-S1257 PolarHBondContact O-N 3.18Å; G1253-S1257 VanDerWaalsContact O-N 3.08Å; G1253-S1257 PolarHBondContact O-OG 2.71Å |
| 1254 | L | 77 | Confident | 71.4 | Confident | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -69.4 | -51.7 | 173.6 | -68.7 | -179.4 | 0 | 0 | 0 | 112.4 | V1242 C1245 D1250 L1251 M1252 A1256 S1257 Q1258 A1290 V1291 L1294 | V1242-L1254 HydrophobicContact CB-CD2 4.25Å; V1242-L1254 HydrophobicContact CG1-CD2 4.01Å; V1242-L1254 HydrophobicContact CG2-CD2 4.2Å; C1245-L1254 HydrophobicContact CB-CD2 3.58Å; C1245-L1254 HydrophobicContact CB-CG 3.62Å; D1250-L1254 PolarHBondContact O-N 3.3Å; L1251-L1254 PolarHBondContact O-N 3.16Å; M1252-L1254 VanDerWaalsContact C-N 3.32Å; M1252-L1254 PolarHBondContact O-N 3.1Å; L1254-A1256 PolarHBondContact O-N 3.23Å; L1254-S1257 PolarHBondContact O-N 2.83Å; L1254-S1257 PolarHBondContact O-OG 3.07Å; L1254-Q1258 PolarHBondContact O-N 2.91Å; L1254-A1290 VanDerWaalsContact CD1-C 3.49Å; L1254-A1290 HydrophobicContact CD1-CB 3.57Å; L1254-A1290 WeakPolarHBondContact CD1-O 3.33Å; L1254-A1290 HydrophobicContact CD2-CB 4.12Å; L1254-A1290 HydrophobicContact CG-CB 4.49Å; L1254-V1291 HydrophobicContact CB-CG2 3.62Å; L1254-V1291 HydrophobicContact CD1-CG2 4.32Å; L1254-L1294 HydrophobicContact CD1-CD1 3.73Å; L1254-L1294 HydrophobicContact CD1-CG 4.3Å |
| 1255 | I | 74.2 | Confident | 69.8 | Low | 27 Ų | 27 | 35.9 Ų | 35.9 | 14% | 0.138 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -58.2 | -36.6 | 178.1 | -68.8 | 174.5 | 0 | 0 | 0 | 110 | L1251 M1252 Q1258 T1259 V1291 I2095 | L1251-I1255 HydrophobicContact CD1-CD1 4.11Å; L1251-I1255 HydrophobicContact CD1-CG1 4.36Å; L1251-I1255 HydrophobicContact CD2-CD1 4.05Å; L1251-I1255 HydrophobicContact CG-CD1 3.8Å; L1251-I1255 HydrophobicContact CG-CG1 4.34Å; L1251-I1255 WeakPolarHBondContact O-CG1 3.37Å; L1251-I1255 PolarHBondContact O-N 2.86Å; M1252-I1255 HydrophobicContact CE-CB 4.24Å; M1252-I1255 HydrophobicContact CE-CD1 4.05Å; M1252-I1255 HydrophobicContact CE-CG2 4.36Å; M1252-I1255 PolarHBondContact O-N 3.44Å; I1255-Q1258 PolarHBondContact O-N 3.44Å; I1255-T1259 HydrophobicContact CG2-CG2 4.46Å; I1255-T1259 WeakPolarHBondContact O-CG2 3.37Å; I1255-T1259 PolarHBondContact O-N 3.41Å; I1255-T1259 PolarHBondContact O-OG1 3Å; I1255-T1259 VanDerWaalsContact O-OG1 3.1Å; I1255-V1291 HydrophobicContact CD1-CG1 4.5Å; I1255-V1291 HydrophobicContact CG1-CG1 4.1Å; I1255-V1291 HydrophobicContact CG1-CG2 4.04Å; I1255-I2095 HydrophobicContact CD1-CG1 4.44Å; I1255-I2095 HydrophobicContact CD1-CG2 4.2Å |
| 1256 | A | 74.8 | Confident | 68.1 | Low | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61.4 | -48.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | M1252 L1254 Q1258 T1259 S1260 L2280 Q2283 T2284 | M1252-A1256 WeakPolarHBondContact O-CB 3.34Å; M1252-A1256 PolarHBondContact O-N 3.36Å; L1254-A1256 PolarHBondContact O-N 3.23Å; A1256-Q1258 PolarHBondContact O-N 2.87Å; A1256-T1259 PolarHBondContact O-N 2.85Å; A1256-T1259 PolarHBondContact O-OG1 3.19Å; A1256-T1259 VanDerWaalsContact O-OG1 3.12Å; A1256-S1260 PolarHBondContact O-N 3.13Å; A1256-S1260 PolarHBondContact O-OG 3.5Å; A1256-S1260 VanDerWaalsContact O-OG 3.05Å; A1256-L2280 HydrophobicContact CB-CB 4.4Å; A1256-L2280 HydrophobicContact CB-CD1 3.95Å; A1256-Q2283 HydrophobicContact CB-CB 3.49Å; A1256-Q2283 VanDerWaalsContact CB-CB 3.49Å; A1256-T2284 HydrophobicContact CB-CG2 4.28Å |
| 1257 | S | 74.7 | Confident | 66.3 | Low | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -65.8 | -25.4 | 177.7 | 67.1 | 0 | 0 | 0 | 0 | 113.5 | G1253 L1254 S1260 F1261 | G1253-S1257 PolarHBondContact O-N 3.18Å; G1253-S1257 VanDerWaalsContact O-N 3.08Å; G1253-S1257 PolarHBondContact O-OG 2.71Å; L1254-S1257 PolarHBondContact O-N 2.83Å; L1254-S1257 PolarHBondContact O-OG 3.07Å; S1257-S1260 PolarHBondContact O-OG 2.71Å; S1257-F1261 WeakPolarHBondContact O-CB 3.32Å |
| 1258 | Q | 74 | Confident | 64.3 | Low | 39 Ų | 39 | 42.3 Ų | 42.3 | 18% | 0.182 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -78.2 | -40.9 | 174.7 | -168.1 | -172.7 | -19.4 | 0 | 0 | 111.6 | L1254 I1255 A1256 L1262 L1284 | L1254-Q1258 PolarHBondContact O-N 2.91Å; I1255-Q1258 PolarHBondContact O-N 3.44Å; A1256-Q1258 PolarHBondContact O-N 2.87Å; Q1258-L1262 WeakPolarHBondContact O-CG 3.42Å; Q1258-L1262 PolarHBondContact O-N 3.35Å; Q1258-L1284 HydrophobicContact CG-CD1 3.69Å |
| 1259 | T | 71.1 | Confident | 62.4 | Low | 43 Ų | 43 | 48.8 Ų | 48.8 | 26% | 0.264 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -73.2 | -38.7 | 179.6 | 52 | 0 | 0 | 0 | 0 | 112.6 | I1255 A1256 L1262 T1263 Q2283 | I1255-T1259 HydrophobicContact CG2-CG2 4.46Å; I1255-T1259 WeakPolarHBondContact O-CG2 3.37Å; I1255-T1259 PolarHBondContact O-N 3.41Å; I1255-T1259 PolarHBondContact O-OG1 3Å; I1255-T1259 VanDerWaalsContact O-OG1 3.1Å; A1256-T1259 PolarHBondContact O-N 2.85Å; A1256-T1259 PolarHBondContact O-OG1 3.19Å; A1256-T1259 VanDerWaalsContact O-OG1 3.12Å; T1259-L1262 PolarHBondContact O-N 3.03Å; T1259-T1263 PolarHBondContact O-N 2.8Å; T1259-T1263 PolarHBondContact O-OG1 3.4Å; T1259-Q2283 PolarHBondContact OG1-OE1 2.91Å |
| 1260 | S | 67 | Low | 60.4 | Low | 14 Ų | 14 | 53.6 Ų | 53.6 | 10% | 0.098 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -64.2 | -41.4 | 175.6 | 56.3 | 0 | 0 | 0 | 0 | 112.4 | T1232 A1256 S1257 L1262 T1263 W1264 | T1232-S1260 WeakPolarHBondContact CG2-OG 3.25Å; A1256-S1260 PolarHBondContact O-N 3.13Å; A1256-S1260 PolarHBondContact O-OG 3.5Å; A1256-S1260 VanDerWaalsContact O-OG 3.05Å; S1257-S1260 PolarHBondContact O-OG 2.71Å; S1260-L1262 VanDerWaalsContact C-N 3.3Å; S1260-L1262 PolarHBondContact O-N 3.36Å; S1260-T1263 WeakPolarHBondContact CA-OG1 3.35Å; S1260-T1263 PolarHBondContact O-N 2.59Å; S1260-T1263 PolarHBondContact O-OG1 3.06Å; S1260-W1264 PolarHBondContact O-N 3.39Å; S1260-W1264 VanDerWaalsContact O-N 3.17Å |
| 1261 | F | 67.2 | Low | 58.2 | Low | 17 Ų | 17 | 58.3 Ų | 58.3 | 8% | 0.075 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -61.2 | -38.6 | 175.1 | -163.4 | -81.6 | 0 | 0 | 0 | 111.9 | T1232 Y1238 S1257 H1281 L1284 | T1232-F1261 HydrophobicContact CG2-CB 4.1Å; T1232-F1261 HydrophobicContact CG2-CD2 4.29Å; Y1238-F1261 HydrophobicContact CE2-CD2 4.15Å; S1257-F1261 WeakPolarHBondContact O-CB 3.32Å; F1261-H1281 HydrophobicContact CE1-CB 3.89Å; F1261-H1281 HydrophobicContact CZ-CB 3.82Å; F1261-H1281 AromaticContact CZ-CG 3.73Å; F1261-H1281 AromaticContact CZ-ND1 3.53Å; F1261-L1284 HydrophobicContact CB-CD1 4.2Å; F1261-L1284 HydrophobicContact CD1-CB 4.43Å; F1261-L1284 HydrophobicContact CD1-CD1 3.9Å; F1261-L1284 HydrophobicContact CE1-CB 4.49Å; F1261-L1284 HydrophobicContact CG-CD1 4.27Å |
| 1262 | L | 66.4 | Low | 56.1 | Low | 79 Ų | 79 | 67.5 Ų | 67.5 | 41% | 0.414 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -71.6 | -29.9 | 175.8 | -75.1 | 169.6 | 0 | 0 | 0 | 113.6 | Q1258 T1259 S1260 N1266 L1284 | Q1258-L1262 WeakPolarHBondContact O-CG 3.42Å; Q1258-L1262 PolarHBondContact O-N 3.35Å; T1259-L1262 PolarHBondContact O-N 3.03Å; S1260-L1262 VanDerWaalsContact C-N 3.3Å; S1260-L1262 PolarHBondContact O-N 3.36Å; L1262-N1266 PolarHBondContact O-ND2 3.21Å; L1262-N1266 VanDerWaalsContact O-ND2 3.08Å; L1262-L1284 HydrophobicContact CD2-CD2 3.93Å; L1262-L1284 HydrophobicContact CG-CD1 4.35Å; L1262-L1284 HydrophobicContact CG-CD2 4.4Å |
| 1263 | T | 60.7 | Low | 53.9 | Low | 82 Ų | 82 | 76.1 Ų | 76.1 | 50% | 0.503 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -72.5 | -38.8 | 175.7 | 41.7 | 0 | 0 | 0 | 0 | 112.8 | T1259 S1260 N1265 N1266 S1267 | T1259-T1263 PolarHBondContact O-N 2.8Å; T1259-T1263 PolarHBondContact O-OG1 3.4Å; S1260-T1263 WeakPolarHBondContact CA-OG1 3.35Å; S1260-T1263 PolarHBondContact O-N 2.59Å; S1260-T1263 PolarHBondContact O-OG1 3.06Å; T1263-N1265 PolarHBondContact O-N 2.95Å; T1263-N1266 PolarHBondContact O-N 3Å; T1263-S1267 PolarHBondContact O-N 2.86Å; T1263-S1267 PolarHBondContact O-OG 3.06Å |
| 1264 | W | 52.7 | Low | 51.7 | Low | 124 Ų | 124 | 85.7 Ų | 85.7 | 47% | 0.47 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -58.8 | -44.1 | -176.5 | -177.1 | 79.1 | 0 | 0 | 0 | 112.9 | S1260 N1266 S1267 | S1260-W1264 PolarHBondContact O-N 3.39Å; S1260-W1264 VanDerWaalsContact O-N 3.17Å; W1264-N1266 PolarHBondContact O-N 2.89Å; W1264-N1266 VanDerWaalsContact O-N 3.13Å; W1264-S1267 PolarHBondContact O-N 2.74Å; W1264-S1267 VanDerWaalsContact O-N 3.13Å; W1264-S1267 PolarHBondContact O-OG 2.85Å |
| 1265 | N | 49.7 | Very low | 49.2 | Very low | 94 Ų | 94 | 91.9 Ų | 91.9 | 50% | 0.503 | 50% | 0.504 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -22.1 | 176.6 | -81.4 | -3.9 | 0 | 0 | 0 | 114.2 | T1263 | T1263-N1265 PolarHBondContact O-N 2.95Š|
| 1266 | N | 45.1 | Very low | 46.9 | Very low | 143 Ų | 143 | 94.2 Ų | 94.2 | 77% | 0.765 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.2 | -13.6 | 179.9 | -68.8 | -47.5 | 0 | 0 | 0 | 113.5 | L1262 T1263 W1264 | L1262-N1266 PolarHBondContact O-ND2 3.21Å; L1262-N1266 VanDerWaalsContact O-ND2 3.08Å; T1263-N1266 PolarHBondContact O-N 3Å; W1264-N1266 PolarHBondContact O-N 2.89Å; W1264-N1266 VanDerWaalsContact O-N 3.13Å |
| 1267 | S | 37 | Very low | 44.8 | Very low | 90 Ų | 90 | 102 Ų | 102 | 63% | 0.629 | 56% | 0.564 | S | S | * | * | S | Bend | trans | -90 | -2.8 | 174.3 | 36.6 | 0 | 0 | 0 | 0 | 114 | T1263 W1264 | T1263-S1267 PolarHBondContact O-N 2.86Å; T1263-S1267 PolarHBondContact O-OG 3.06Å; W1264-S1267 PolarHBondContact O-N 2.74Å; W1264-S1267 VanDerWaalsContact O-N 3.13Å; W1264-S1267 PolarHBondContact O-OG 2.85Å |
| 1268 | G | 33.1 | Very low | 42.8 | Very low | 61 Ų | 61 | 111.4 Ų | 111.4 | 63% | 0.629 | 61% | 0.605 | S | S | * | * | trans | -70 | 123.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | S1270 | G1268-S1270 PolarHBondContact O-N 3.2Š| ||
| 1269 | Q | 29.5 | Very low | 41.1 | Very low | 178 Ų | 178 | 116.3 Ų | 116.3 | 83% | 0.832 | 63% | 0.632 | S | S | * | * | trans | -56 | 125 | -175.7 | -70 | 173.4 | -32.2 | 0 | 0 | 115.3 | S1271 | Q1269-S1271 PolarHBondContact O-N 3.23Š| ||
| 1270 | S | 26 | Very low | 40.1 | Very low | 117 Ų | 117 | 117.5 Ų | 117.5 | 82% | 0.818 | 64% | 0.639 | S | S | * | * | trans | 35.5 | 78.9 | 136.8 | 66.8 | 0 | 0 | 0 | 0 | 119.3 | G1268 | G1268-S1270 PolarHBondContact O-N 3.2Š| ||
| 1271 | S | 24.6 | Very low | 39.8 | Very low | 110 Ų | 110 | 121.4 Ų | 121.4 | 77% | 0.769 | 66% | 0.656 | S | S | * | * | trans | -140.5 | 138.7 | 141.5 | 61.3 | 0 | 0 | 0 | 0 | 111.1 | Q1269 | Q1269-S1271 PolarHBondContact O-N 3.23Š| ||
| 1272 | K | 27.2 | Very low | 39.6 | Very low | 197 Ų | 197 | 124.5 Ų | 124.5 | 86% | 0.857 | 68% | 0.677 | S | S | * | * | trans | -75.9 | 158.4 | 158.7 | -69.8 | 176.7 | 178 | 176.2 | 0 | 107.6 | ||||
| 1273 | E | 26.1 | Very low | 39.4 | Very low | 184 Ų | 184 | 121.4 Ų | 121.4 | 86% | 0.86 | 66% | 0.661 | S | S | * | * | trans | 82.7 | 86.4 | 179.5 | -54.2 | 175.5 | -165.1 | 0 | 0 | 116.6 | ||||
| 1274 | K | 26.9 | Very low | 39.8 | Very low | 200 Ų | 200 | 118.1 Ų | 118.1 | 87% | 0.87 | 64% | 0.64 | S | S | * | * | -165.8 | 98.7 | 120.3 | -104.9 | 169.1 | -172.4 | -177.9 | 0 | 111.5 | A1276 | K1274-A1276 PolarHBondContact O-N 3.21Š| |||
| 1275 | S | 25.3 | Very low | 40.6 | Very low | 131 Ų | 131 | 114.1 Ų | 114.1 | 92% | 0.916 | 63% | 0.628 | S | S | * | * | trans | -98.7 | 65.9 | 172.9 | 58.4 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1276 | A | 26.7 | Very low | 41.4 | Very low | 75 Ų | 75 | 114.8 Ų | 114.8 | 62% | 0.62 | 63% | 0.627 | S | S | * | * | S | Bend | trans | -153.3 | 129.7 | 171.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | K1274 | K1274-A1276 PolarHBondContact O-N 3.21Š|
| 1277 | H | 29.7 | Very low | 42.7 | Very low | 165 Ų | 165 | 108 Ų | 108 | 76% | 0.764 | 59% | 0.59 | S | S | * | * | trans | 36.7 | 97.6 | 171.3 | -69.9 | -94.9 | 0 | 0 | 0 | 117 | D1279 | H1277-D1279 PolarHBondContact O-N 3.4Š| ||
| 1278 | F | 32.9 | Very low | 44.5 | Very low | 196 Ų | 196 | 105.8 Ų | 105.8 | 86% | 0.86 | 57% | 0.569 | S | S | * | * | trans | -71.8 | 83.5 | 158.9 | -92.5 | -83.1 | 0 | 0 | 0 | 109.3 | V1280 | F1278-V1280 PolarHBondContact O-N 3.09Å; F1278-V1280 VanDerWaalsContact O-N 3.15Å | ||
| 1279 | D | 37.8 | Very low | 46.5 | Very low | 142 Ų | 142 | 103.7 Ų | 103.7 | 76% | 0.759 | 54% | 0.544 | S | S | * | . | trans | -66.4 | 111.2 | 167.7 | -66.5 | -30.1 | 0 | 0 | 0 | 108.4 | H1277 H1281 | H1277-D1279 PolarHBondContact O-N 3.4Å; D1279-H1281 PolarHBondContact O-N 2.75Å | ||
| 1280 | V | 51.5 | Low | 48.5 | Very low | 68 Ų | 68 | 95.2 Ų | 95.2 | 41% | 0.412 | 50% | 0.504 | S | S | . | . | trans | -71.3 | 124.8 | -174 | 176.7 | 0 | 0 | 0 | 0 | 108.8 | F1278 L1284 | F1278-V1280 PolarHBondContact O-N 3.09Å; F1278-V1280 VanDerWaalsContact O-N 3.15Å; V1280-L1284 HydrophobicContact CG1-CB 4.08Å; V1280-L1284 HydrophobicContact CG1-CD2 3.79Å; V1280-L1284 HydrophobicContact CG1-CG 4.45Å | ||
| 1281 | H | 59.2 | Low | 50.8 | Low | 97 Ų | 97 | 90 Ų | 90 | 45% | 0.449 | 47% | 0.467 | S | S | . | . | trans | -54.4 | 126.3 | -177.9 | -166.9 | -95.7 | 0 | 0 | 0 | 110.9 | F1261 D1279 L1283 L1284 | F1261-H1281 HydrophobicContact CE1-CB 3.89Å; F1261-H1281 HydrophobicContact CZ-CB 3.82Å; F1261-H1281 AromaticContact CZ-CG 3.73Å; F1261-H1281 AromaticContact CZ-ND1 3.53Å; D1279-H1281 PolarHBondContact O-N 2.75Å; H1281-L1283 PolarHBondContact O-N 3.39Å; H1281-L1284 WeakPolarHBondContact O-CB 3.34Å; H1281-L1284 PolarHBondContact O-N 3.14Å | ||
| 1282 | P | 63.2 | Low | 53 | Low | 81 Ų | 81 | 86 Ų | 86 | 53% | 0.526 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -65 | -16.9 | -164.9 | 22.3 | -33.9 | 0 | 0 | 0 | 114.5 | K1286 | P1282-K1286 WeakPolarHBondContact O-CG 3.46Å; P1282-K1286 PolarHBondContact O-N 3.15Å |
| 1283 | L | 63.2 | Low | 55.1 | Low | 15 Ų | 15 | 78.8 Ų | 78.8 | 8% | 0.079 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -65.1 | -36.3 | 169.1 | -64.5 | -176.4 | 0 | 0 | 0 | 112.8 | E1235 Y1238 H1281 D1285 K1286 T1287 | E1235-L1283 HydrophobicContact CB-CD1 4.24Å; E1235-L1283 HydrophobicContact CG-CD1 4.05Å; E1235-L1283 HydrophobicContact CG-CD2 4.13Å; Y1238-L1283 HydrophobicContact CD1-CB 4.03Å; Y1238-L1283 HydrophobicContact CD1-CD1 4.07Å; Y1238-L1283 HydrophobicContact CD1-CD2 4.34Å; Y1238-L1283 HydrophobicContact CD1-CG 4.38Å; Y1238-L1283 HydrophobicContact CE1-CB 3.7Å; Y1238-L1283 HydrophobicContact CG-CD1 4.45Å; H1281-L1283 PolarHBondContact O-N 3.39Å; L1283-D1285 PolarHBondContact O-N 2.92Å; L1283-K1286 HydrophobicContact CD2-CD 4.33Å; L1283-K1286 WeakPolarHBondContact O-CB 3.49Å; L1283-K1286 PolarHBondContact O-N 3.46Å; L1283-T1287 PolarHBondContact O-N 3.01Å; L1283-T1287 PolarHBondContact O-OG1 3.43Å |
| 1284 | L | 68.2 | Low | 56.9 | Low | 12 Ų | 12 | 71.3 Ų | 71.3 | 6% | 0.063 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -67 | -39.2 | -179.1 | -167.9 | 73 | 0 | 0 | 0 | 111 | Q1258 F1261 L1262 V1280 H1281 T1287 K1288 | Q1258-L1284 HydrophobicContact CG-CD1 3.69Å; F1261-L1284 HydrophobicContact CB-CD1 4.2Å; F1261-L1284 HydrophobicContact CD1-CB 4.43Å; F1261-L1284 HydrophobicContact CD1-CD1 3.9Å; F1261-L1284 HydrophobicContact CE1-CB 4.49Å; F1261-L1284 HydrophobicContact CG-CD1 4.27Å; L1262-L1284 HydrophobicContact CD2-CD2 3.93Å; L1262-L1284 HydrophobicContact CG-CD1 4.35Å; L1262-L1284 HydrophobicContact CG-CD2 4.4Å; V1280-L1284 HydrophobicContact CG1-CB 4.08Å; V1280-L1284 HydrophobicContact CG1-CD2 3.79Å; V1280-L1284 HydrophobicContact CG1-CG 4.45Å; H1281-L1284 WeakPolarHBondContact O-CB 3.34Å; H1281-L1284 PolarHBondContact O-N 3.14Å; L1284-T1287 WeakPolarHBondContact CA-OG1 3.38Å; L1284-T1287 PolarHBondContact O-N 2.65Å; L1284-T1287 PolarHBondContact O-OG1 2.88Å; L1284-K1288 WeakPolarHBondContact O-CG 3.4Å; L1284-K1288 PolarHBondContact O-N 3.46Å |
| 1285 | D | 68.9 | Low | 58.6 | Low | 40 Ų | 40 | 61.8 Ų | 61.8 | 21% | 0.214 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -72.5 | -34 | 176.8 | -66.1 | -32 | 0 | 0 | 0 | 112 | L1283 T1287 K1288 L1289 Y1308 | L1283-D1285 PolarHBondContact O-N 2.92Å; D1285-T1287 VanDerWaalsContact C-N 3.27Å; D1285-T1287 PolarHBondContact O-N 2.98Å; D1285-K1288 PolarHBondContact O-N 2.89Å; D1285-K1288 VanDerWaalsContact O-N 3.16Å; D1285-K1288 VanDerWaalsContact OD1-CD 3.29Å; D1285-K1288 WeakPolarHBondContact OD1-CD 3.42Å; D1285-K1288 VanDerWaalsContact OD1-CE 3.25Å; D1285-K1288 WeakPolarHBondContact OD1-CE 3.4Å; D1285-K1288 IonicContact OD1-NZ 2.72Å; D1285-K1288 PolarHBondContact OD1-NZ 3.25Å; D1285-L1289 WeakPolarHBondContact O-CG 3.47Å; D1285-L1289 PolarHBondContact O-N 3.35Å; D1285-Y1308 WeakPolarHBondContact CB-OH 3.33Å |
| 1286 | K | 68.1 | Low | 60.4 | Low | 109 Ų | 109 | 56.4 Ų | 56.4 | 47% | 0.474 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -57.7 | -37 | 166.5 | -72.6 | 171 | -176.6 | 172.7 | 0 | 112 | P1282 L1283 A1290 | P1282-K1286 WeakPolarHBondContact O-CG 3.46Å; P1282-K1286 PolarHBondContact O-N 3.15Å; L1283-K1286 HydrophobicContact CD2-CD 4.33Å; L1283-K1286 WeakPolarHBondContact O-CB 3.49Å; L1283-K1286 PolarHBondContact O-N 3.46Å; K1286-A1290 PolarHBondContact O-N 3.06Å |
| 1287 | T | 71.8 | Confident | 62.4 | Low | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -72.5 | -39.8 | 170.1 | 41.8 | 0 | 0 | 0 | 0 | 114.3 | Y1238 V1242 L1283 L1284 D1285 L1289 A1290 V1291 | Y1238-T1287 HydrophobicContact CE1-CG2 3.77Å; Y1238-T1287 WeakPolarHBondContact OH-CG2 3.37Å; Y1238-T1287 PolarHBondContact OH-OG1 3.41Å; V1242-T1287 HydrophobicContact CG2-CG2 3.5Å; V1242-T1287 VanDerWaalsContact CG2-CG2 3.5Å; L1283-T1287 PolarHBondContact O-N 3.01Å; L1283-T1287 PolarHBondContact O-OG1 3.43Å; L1284-T1287 WeakPolarHBondContact CA-OG1 3.38Å; L1284-T1287 PolarHBondContact O-N 2.65Å; L1284-T1287 PolarHBondContact O-OG1 2.88Å; D1285-T1287 VanDerWaalsContact C-N 3.27Å; D1285-T1287 PolarHBondContact O-N 2.98Å; T1287-L1289 VanDerWaalsContact C-N 3.31Å; T1287-L1289 PolarHBondContact O-N 3.32Å; T1287-A1290 PolarHBondContact O-N 2.97Å; T1287-A1290 VanDerWaalsContact O-N 3.11Å; T1287-V1291 WeakPolarHBondContact O-CB 3.39Å; T1287-V1291 WeakPolarHBondContact O-CG2 3.37Å; T1287-V1291 PolarHBondContact O-N 2.93Å |
| 1288 | K | 74.6 | Confident | 64.4 | Low | 43 Ų | 43 | 46.5 Ų | 46.5 | 19% | 0.187 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -59 | -44.4 | 176.4 | -69.4 | 174.3 | -160.6 | 160.3 | 0 | 110.9 | L1284 D1285 V1291 H1292 | L1284-K1288 WeakPolarHBondContact O-CG 3.4Å; L1284-K1288 PolarHBondContact O-N 3.46Å; D1285-K1288 PolarHBondContact O-N 2.89Å; D1285-K1288 VanDerWaalsContact O-N 3.16Å; D1285-K1288 VanDerWaalsContact OD1-CD 3.29Å; D1285-K1288 WeakPolarHBondContact OD1-CD 3.42Å; D1285-K1288 VanDerWaalsContact OD1-CE 3.25Å; D1285-K1288 WeakPolarHBondContact OD1-CE 3.4Å; D1285-K1288 IonicContact OD1-NZ 2.72Å; D1285-K1288 PolarHBondContact OD1-NZ 3.25Å; K1288-V1291 PolarHBondContact O-N 3.2Å; K1288-H1292 WeakPolarHBondContact O-CB 3.44Å; K1288-H1292 PolarHBondContact O-CD2 2.96Å; K1288-H1292 PolarHBondContact O-N 3.28Å |
| 1289 | L | 74.6 | Confident | 66.1 | Low | 18 Ų | 18 | 40.4 Ų | 40.4 | 9% | 0.094 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -56.2 | -51.3 | 171.9 | -71.4 | 174.2 | 0 | 0 | 0 | 111 | D1285 T1287 V1291 H1292 E1293 L1301 C1304 Y1305 Y1308 | D1285-L1289 WeakPolarHBondContact O-CG 3.47Å; D1285-L1289 PolarHBondContact O-N 3.35Å; T1287-L1289 VanDerWaalsContact C-N 3.31Å; T1287-L1289 PolarHBondContact O-N 3.32Å; L1289-V1291 PolarHBondContact O-N 2.91Å; L1289-H1292 PolarHBondContact O-N 3.26Å; L1289-E1293 WeakPolarHBondContact O-CB 3.41Å; L1289-E1293 VanDerWaalsContact O-CG 3.23Å; L1289-E1293 WeakPolarHBondContact O-CG 3.15Å; L1289-E1293 PolarHBondContact O-N 3.02Å; L1289-L1301 HydrophobicContact CD2-CD2 3.91Å; L1289-C1304 HydrophobicContact CD2-CB 3.73Å; L1289-Y1305 HydrophobicContact CD1-CE1 4.17Å; L1289-Y1305 HydrophobicContact CD2-CD1 4.47Å; L1289-Y1305 HydrophobicContact CD2-CE1 3.92Å; L1289-Y1305 HydrophobicContact CD2-CE2 4.37Å; L1289-Y1308 HydrophobicContact CD1-CE2 3.93Å |
| 1290 | A | 72.7 | Confident | 67.7 | Low | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -60.2 | -40.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | V1242 R1246 L1254 K1286 T1287 E1293 L1294 | V1242-A1290 HydrophobicContact CG1-CB 4.09Å; R1246-A1290 HydrophobicContact CG-CB 4.18Å; L1254-A1290 VanDerWaalsContact CD1-C 3.49Å; L1254-A1290 HydrophobicContact CD1-CB 3.57Å; L1254-A1290 WeakPolarHBondContact CD1-O 3.33Å; L1254-A1290 HydrophobicContact CD2-CB 4.12Å; L1254-A1290 HydrophobicContact CG-CB 4.49Å; K1286-A1290 PolarHBondContact O-N 3.06Å; T1287-A1290 PolarHBondContact O-N 2.97Å; T1287-A1290 VanDerWaalsContact O-N 3.11Å; A1290-E1293 WeakPolarHBondContact CA-OE2 3.14Å; A1290-L1294 PolarHBondContact O-N 2.81Å; A1290-L1294 VanDerWaalsContact O-N 3.15Å |
| 1291 | V | 73 | Confident | 68.7 | Low | 6 Ų | 6 | 34.4 Ų | 34.4 | 4% | 0.036 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -63.7 | -48.1 | 176.1 | 165.1 | 0 | 0 | 0 | 0 | 110.4 | L1251 L1254 I1255 T1287 K1288 L1289 L1294 L1295 | L1251-V1291 HydrophobicContact CD1-CB 4.46Å; L1251-V1291 HydrophobicContact CD1-CG1 4.12Å; L1254-V1291 HydrophobicContact CB-CG2 3.62Å; L1254-V1291 HydrophobicContact CD1-CG2 4.32Å; I1255-V1291 HydrophobicContact CD1-CG1 4.5Å; I1255-V1291 HydrophobicContact CG1-CG1 4.1Å; I1255-V1291 HydrophobicContact CG1-CG2 4.04Å; T1287-V1291 WeakPolarHBondContact O-CB 3.39Å; T1287-V1291 WeakPolarHBondContact O-CG2 3.37Å; T1287-V1291 PolarHBondContact O-N 2.93Å; K1288-V1291 PolarHBondContact O-N 3.2Å; L1289-V1291 PolarHBondContact O-N 2.91Å; V1291-L1294 PolarHBondContact O-N 3.47Å; V1291-L1295 HydrophobicContact CG1-CD1 3.71Å; V1291-L1295 HydrophobicContact CG1-CG 4.49Å; V1291-L1295 WeakPolarHBondContact O-CB 3.44Å; V1291-L1295 WeakPolarHBondContact O-CG 3.45Å; V1291-L1295 PolarHBondContact O-N 3.12Å |
| 1292 | H | 71.8 | Confident | 69.4 | Low | 27 Ų | 27 | 31.6 Ų | 31.6 | 13% | 0.125 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -73.6 | -26.8 | -179 | -75.8 | -111.9 | 0 | 0 | 0 | 113.1 | K1288 L1289 G1296 N1297 Y1300 L1301 | K1288-H1292 WeakPolarHBondContact O-CB 3.44Å; K1288-H1292 PolarHBondContact O-CD2 2.96Å; K1288-H1292 PolarHBondContact O-N 3.28Å; L1289-H1292 PolarHBondContact O-N 3.26Å; H1292-G1296 PolarHBondContact O-N 3.06Å; H1292-N1297 HydrophobicContact CB-CB 4.26Å; H1292-N1297 PolarHBondContact CE1-ND2 3.35Å; H1292-N1297 VanDerWaalsContact CE1-ND2 3.34Å; H1292-N1297 PolarHBondContact ND1-ND2 3.3Å; H1292-N1297 PolarHBondContact O-N 3.27Å; H1292-Y1300 HydrophobicContact CB-CD1 4.09Å; H1292-Y1300 AromaticContact CD2-CD1 3.87Å; H1292-Y1300 AromaticContact CD2-CE1 3.94Å; H1292-Y1300 AromaticContact CE1-CD1 3.3Å; H1292-Y1300 WeakPolarHBondContact CE1-CD1 3.5Å; H1292-Y1300 AromaticContact CE1-CD2 3.97Å; H1292-Y1300 AromaticContact CE1-CE1 3.69Å; H1292-Y1300 AromaticContact CE1-CG 3.43Å; H1292-Y1300 VanDerWaalsContact CE1-CG 3.43Å; H1292-Y1300 AromaticContact CG-CD1 3.44Å; H1292-Y1300 VanDerWaalsContact CG-CD1 3.44Å; H1292-Y1300 AromaticContact CG-CE1 3.98Å; H1292-Y1300 WeakPolarHBondContact ND1-CB 3.45Å; H1292-Y1300 AromaticContact ND1-CD1 3.07Å; H1292-Y1300 WeakPolarHBondContact ND1-CD1 3.43Å; H1292-Y1300 AromaticContact ND1-CE1 3.85Å; H1292-Y1300 AromaticContact ND1-CG 3.33Å; H1292-Y1300 VanDerWaalsContact ND1-CG 3.33Å; H1292-Y1300 AromaticContact NE2-CD1 3.81Å; H1292-Y1300 AromaticContact NE2-CE1 3.78Å; H1292-L1301 HydrophobicContact CB-CD2 3.65Å; H1292-L1301 HydrophobicContact CB-CG 3.84Å |
| 1293 | E | 70.1 | Confident | 69.8 | Low | 45 Ų | 45 | 29.8 Ų | 29.8 | 21% | 0.21 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -61.3 | -50.5 | 169 | -80.3 | 170.2 | 167.9 | 0 | 0 | 111.8 | R1246 L1289 A1290 G1296 W1298 L1301 Y1305 | R1246-E1293 IonicContact CZ-OE2 3.8Å; R1246-E1293 IonicContact NE-OE2 2.79Å; R1246-E1293 PolarHBondContact NE-OE2 3.45Å; R1246-E1293 IonicContact NH2-OE1 3.68Å; R1246-E1293 IonicContact NH2-OE2 2.69Å; R1246-E1293 PolarHBondContact NH2-OE2 3.43Å; L1289-E1293 WeakPolarHBondContact O-CB 3.41Å; L1289-E1293 VanDerWaalsContact O-CG 3.23Å; L1289-E1293 WeakPolarHBondContact O-CG 3.15Å; L1289-E1293 PolarHBondContact O-N 3.02Å; A1290-E1293 WeakPolarHBondContact CA-OE2 3.14Å; E1293-G1296 PolarHBondContact O-N 3.42Å; E1293-W1298 WeakPolarHBondContact O-CH2 3.44Å; E1293-L1301 HydrophobicContact CG-CD1 4.05Å; E1293-L1301 HydrophobicContact CG-CD2 4.18Å; E1293-Y1305 PolarHBondContact OE1-OH 2.87Å |
| 1294 | L | 65.8 | Low | 70.2 | Confident | 27 Ų | 27 | 30 Ų | 30 | 14% | 0.141 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -68.2 | -40.1 | 177.6 | -69.6 | -171.9 | 0 | 0 | 0 | 111.9 | L1251 L1254 A1290 V1291 G1296 Y2098 | L1251-L1294 HydrophobicContact CB-CB 4.5Å; L1251-L1294 HydrophobicContact CB-CD1 4.22Å; L1251-L1294 HydrophobicContact CD1-CB 3.97Å; L1254-L1294 HydrophobicContact CD1-CD1 3.73Å; L1254-L1294 HydrophobicContact CD1-CG 4.3Å; A1290-L1294 PolarHBondContact O-N 2.81Å; A1290-L1294 VanDerWaalsContact O-N 3.15Å; V1291-L1294 PolarHBondContact O-N 3.47Å; L1294-G1296 PolarHBondContact O-N 3.09Å; L1294-G1296 VanDerWaalsContact O-N 3.08Å; L1294-Y2098 WeakPolarHBondContact O-CE2 3.26Å; L1294-Y2098 PolarHBondContact O-OH 2.88Å |
| 1295 | L | 62.6 | Low | 70.3 | Confident | 1 Ų | 1 | 29.9 Ų | 29.9 | 1% | 0.005 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -10.3 | 177.2 | -76.9 | 172 | 0 | 0 | 0 | 115.2 | L1251 V1291 N1297 N2094 I2095 Y2098 | L1251-L1295 HydrophobicContact CD1-CD2 4.29Å; L1251-L1295 HydrophobicContact CD1-CG 3.86Å; L1251-L1295 HydrophobicContact CD2-CD2 3.55Å; L1251-L1295 HydrophobicContact CD2-CG 4.07Å; V1291-L1295 HydrophobicContact CG1-CD1 3.71Å; V1291-L1295 HydrophobicContact CG1-CG 4.49Å; V1291-L1295 WeakPolarHBondContact O-CB 3.44Å; V1291-L1295 WeakPolarHBondContact O-CG 3.45Å; V1291-L1295 PolarHBondContact O-N 3.12Å; L1295-N1297 HydrophobicContact CB-CB 4.1Å; L1295-N1297 PolarHBondContact O-N 3.47Å; L1295-N2094 VanDerWaalsContact CD2-C 3.43Å; L1295-N2094 HydrophobicContact CD2-CB 3.98Å; L1295-N2094 PolarHBondContact O-ND2 3.34Å; L1295-I2095 HydrophobicContact CD1-CD1 4.18Å; L1295-I2095 HydrophobicContact CD1-CG1 3.64Å; L1295-I2095 HydrophobicContact CD2-CB 4.15Å; L1295-I2095 HydrophobicContact CD2-CG1 3.49Å; L1295-I2095 VanDerWaalsContact CD2-CG1 3.49Å; L1295-I2095 HydrophobicContact CG-CG1 4.2Å; L1295-Y2098 HydrophobicContact CD2-CD2 4.38Å |
| 1296 | G | 61.9 | Low | 70.2 | Confident | 18 Ų | 18 | 31.4 Ų | 31.4 | 19% | 0.186 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59.9 | 31.1 | -171 | 0 | 0 | 0 | 0 | 0 | 113 | H1292 E1293 L1294 W1298 | H1292-G1296 PolarHBondContact O-N 3.06Å; E1293-G1296 PolarHBondContact O-N 3.42Å; L1294-G1296 PolarHBondContact O-N 3.09Å; L1294-G1296 VanDerWaalsContact O-N 3.08Å; G1296-W1298 VanDerWaalsContact CA-CE2 3.46Å; G1296-W1298 PolarHBondContact O-N 3.42Å; G1296-W1298 VanDerWaalsContact O-N 3.09Å; G1296-W1298 PolarHBondContact O-NE1 2.91Å |
| 1297 | N | 68.6 | Low | 70.2 | Confident | 6 Ų | 6 | 32.6 Ų | 32.6 | 3% | 0.032 | 17% | 0.169 | C | C | . | . | trans | -90.4 | 60.3 | -175.1 | -165.5 | 2.5 | 0 | 0 | 0 | 110.7 | H1292 L1295 S1299 Y1300 L1301 S2091 | H1292-N1297 HydrophobicContact CB-CB 4.26Å; H1292-N1297 PolarHBondContact CE1-ND2 3.35Å; H1292-N1297 VanDerWaalsContact CE1-ND2 3.34Å; H1292-N1297 PolarHBondContact ND1-ND2 3.3Å; H1292-N1297 PolarHBondContact O-N 3.27Å; L1295-N1297 HydrophobicContact CB-CB 4.1Å; L1295-N1297 PolarHBondContact O-N 3.47Å; N1297-S1299 PolarHBondContact O-N 3.08Å; N1297-S1299 PolarHBondContact OD1-OG 3.39Å; N1297-Y1300 PolarHBondContact O-N 3.3Å; N1297-Y1300 VanDerWaalsContact O-N 3.13Å; N1297-L1301 PolarHBondContact O-N 2.79Å; N1297-S2091 WeakPolarHBondContact ND2-CB 3.25Å; N1297-S2091 PolarHBondContact ND2-OG 3.41Å | ||
| 1298 | W | 71.7 | Confident | 69.6 | Low | 26 Ų | 26 | 37.6 Ų | 37.6 | 10% | 0.098 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -61.4 | -25.2 | -167.4 | -53.7 | 112.4 | 0 | 0 | 0 | 114.1 | E1293 G1296 L1301 L1302 C1328 R1331 L1332 | E1293-W1298 WeakPolarHBondContact O-CH2 3.44Å; G1296-W1298 VanDerWaalsContact CA-CE2 3.46Å; G1296-W1298 PolarHBondContact O-N 3.42Å; G1296-W1298 VanDerWaalsContact O-N 3.09Å; G1296-W1298 PolarHBondContact O-NE1 2.91Å; W1298-L1301 HydrophobicContact CD2-CD1 4.38Å; W1298-L1301 HydrophobicContact CE3-CD1 3.45Å; W1298-L1301 VanDerWaalsContact CE3-CD1 3.45Å; W1298-L1301 HydrophobicContact CH2-CD1 4.41Å; W1298-L1301 HydrophobicContact CZ3-CD1 3.46Å; W1298-L1301 VanDerWaalsContact CZ3-CD1 3.46Å; W1298-L1302 WeakPolarHBondContact O-CB 3.33Å; W1298-L1302 PolarHBondContact O-N 3.29Å; W1298-C1328 HydrophobicContact CB-CB 4.4Å; W1298-C1328 HydrophobicContact CE3-CB 4.46Å; W1298-R1331 HydrophobicContact CD2-CB 3.71Å; W1298-R1331 HydrophobicContact CD2-CG 4.45Å; W1298-R1331 VanDerWaalsContact CE2-CD 3.5Å; W1298-R1331 HydrophobicContact CE3-CB 4.44Å; W1298-R1331 HydrophobicContact CG-CB 3.74Å; W1298-R1331 HydrophobicContact CZ2-CB 4.45Å; W1298-R1331 VanDerWaalsContact CZ2-CD 3.44Å; W1298-L1332 HydrophobicContact CB-CD1 4.4Å; W1298-L1332 HydrophobicContact CB-CD2 3.79Å; W1298-L1332 HydrophobicContact CB-CG 3.66Å |
| 1299 | S | 69.3 | Low | 68.6 | Low | 67 Ų | 67 | 39 Ų | 39 | 47% | 0.469 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -71.8 | -38.6 | 176.1 | 51.7 | 0 | 0 | 0 | 0 | 112.8 | N1297 S1303 | N1297-S1299 PolarHBondContact O-N 3.08Å; N1297-S1299 PolarHBondContact OD1-OG 3.39Å; S1299-S1303 PolarHBondContact O-N 3.05Å |
| 1300 | Y | 71.6 | Confident | 67.3 | Low | 85 Ų | 85 | 44.8 Ų | 44.8 | 33% | 0.333 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -69.6 | -42.2 | 172.9 | -175.5 | -93.1 | 0 | 0 | 0 | 111 | H1292 N1297 L1302 S1303 C1304 | H1292-Y1300 HydrophobicContact CB-CD1 4.09Å; H1292-Y1300 AromaticContact CD2-CD1 3.87Å; H1292-Y1300 AromaticContact CD2-CE1 3.94Å; H1292-Y1300 AromaticContact CE1-CD1 3.3Å; H1292-Y1300 WeakPolarHBondContact CE1-CD1 3.5Å; H1292-Y1300 AromaticContact CE1-CD2 3.97Å; H1292-Y1300 AromaticContact CE1-CE1 3.69Å; H1292-Y1300 AromaticContact CE1-CG 3.43Å; H1292-Y1300 VanDerWaalsContact CE1-CG 3.43Å; H1292-Y1300 AromaticContact CG-CD1 3.44Å; H1292-Y1300 VanDerWaalsContact CG-CD1 3.44Å; H1292-Y1300 AromaticContact CG-CE1 3.98Å; H1292-Y1300 WeakPolarHBondContact ND1-CB 3.45Å; H1292-Y1300 AromaticContact ND1-CD1 3.07Å; H1292-Y1300 WeakPolarHBondContact ND1-CD1 3.43Å; H1292-Y1300 AromaticContact ND1-CE1 3.85Å; H1292-Y1300 AromaticContact ND1-CG 3.33Å; H1292-Y1300 VanDerWaalsContact ND1-CG 3.33Å; H1292-Y1300 AromaticContact NE2-CD1 3.81Å; H1292-Y1300 AromaticContact NE2-CE1 3.78Å; N1297-Y1300 PolarHBondContact O-N 3.3Å; N1297-Y1300 VanDerWaalsContact O-N 3.13Å; Y1300-L1302 VanDerWaalsContact C-N 3.34Å; Y1300-L1302 PolarHBondContact O-N 2.98Å; Y1300-S1303 CarbonylContact O-C 3.48Å; Y1300-S1303 PolarHBondContact O-N 3.39Å; Y1300-S1303 VanDerWaalsContact O-N 3.15Å; Y1300-S1303 PolarHBondContact O-OG 3.26Å; Y1300-C1304 WeakPolarHBondContact CE1-SG 3.16Å; Y1300-C1304 PolarHBondContact O-N 2.79Å; Y1300-C1304 PolarHBondContact O-SG 3.38Å |
| 1301 | L | 71 | Confident | 65.9 | Low | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -60 | -42.6 | 176.8 | -70.9 | 172.8 | 0 | 0 | 0 | 112.6 | L1289 H1292 E1293 N1297 W1298 S1303 C1304 Y1305 | L1289-L1301 HydrophobicContact CD2-CD2 3.91Å; H1292-L1301 HydrophobicContact CB-CD2 3.65Å; H1292-L1301 HydrophobicContact CB-CG 3.84Å; E1293-L1301 HydrophobicContact CG-CD1 4.05Å; E1293-L1301 HydrophobicContact CG-CD2 4.18Å; N1297-L1301 PolarHBondContact O-N 2.79Å; W1298-L1301 HydrophobicContact CD2-CD1 4.38Å; W1298-L1301 HydrophobicContact CE3-CD1 3.45Å; W1298-L1301 VanDerWaalsContact CE3-CD1 3.45Å; W1298-L1301 HydrophobicContact CH2-CD1 4.41Å; W1298-L1301 HydrophobicContact CZ3-CD1 3.46Å; W1298-L1301 VanDerWaalsContact CZ3-CD1 3.46Å; L1301-S1303 VanDerWaalsContact C-N 3.34Å; L1301-S1303 PolarHBondContact O-N 2.83Å; L1301-C1304 WeakPolarHBondContact O-CB 3.05Å; L1301-C1304 PolarHBondContact O-N 3.3Å; L1301-Y1305 HydrophobicContact CB-CD2 4.27Å; L1301-Y1305 HydrophobicContact CB-CE2 4.14Å; L1301-Y1305 HydrophobicContact CD2-CE2 4.25Å; L1301-Y1305 WeakPolarHBondContact O-CD2 3.45Å; L1301-Y1305 PolarHBondContact O-N 2.9Å |
| 1302 | L | 74.1 | Confident | 64.1 | Low | 37 Ų | 37 | 59.1 Ų | 59.1 | 19% | 0.194 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -52.2 | -54.9 | 172.1 | -164.8 | 74.7 | 0 | 0 | 0 | 109.5 | W1298 Y1300 C1304 Y1305 D1306 L1325 C1328 L1329 L1332 | W1298-L1302 WeakPolarHBondContact O-CB 3.33Å; W1298-L1302 PolarHBondContact O-N 3.29Å; Y1300-L1302 VanDerWaalsContact C-N 3.34Å; Y1300-L1302 PolarHBondContact O-N 2.98Å; L1302-C1304 PolarHBondContact O-N 3.49Å; L1302-Y1305 PolarHBondContact O-N 3.5Å; L1302-D1306 VanDerWaalsContact O-CB 3.31Å; L1302-D1306 WeakPolarHBondContact O-CB 3.45Å; L1302-D1306 PolarHBondContact O-N 2.95Å; L1302-L1325 HydrophobicContact CD1-CD2 3.78Å; L1302-C1328 HydrophobicContact CD1-CB 4.19Å; L1302-L1329 HydrophobicContact CD1-CD2 3.75Å; L1302-L1329 HydrophobicContact CD1-CG 3.87Å; L1302-L1329 HydrophobicContact CD2-CD2 3.9Å; L1302-L1332 HydrophobicContact CD2-CD1 4.44Å |
| 1303 | S | 73.2 | Confident | 62.2 | Low | 43 Ų | 43 | 67.1 Ų | 67.1 | 30% | 0.301 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -64.8 | -10.6 | 178.2 | 81.2 | 0 | 0 | 0 | 0 | 116.2 | S1299 Y1300 L1301 K1307 | S1299-S1303 PolarHBondContact O-N 3.05Å; Y1300-S1303 CarbonylContact O-C 3.48Å; Y1300-S1303 PolarHBondContact O-N 3.39Å; Y1300-S1303 VanDerWaalsContact O-N 3.15Å; Y1300-S1303 PolarHBondContact O-OG 3.26Å; L1301-S1303 VanDerWaalsContact C-N 3.34Å; L1301-S1303 PolarHBondContact O-N 2.83Å; S1303-K1307 VanDerWaalsContact O-CD 3.25Å; S1303-K1307 WeakPolarHBondContact O-CD 3.44Å; S1303-K1307 WeakPolarHBondContact O-CE 3.4Å; S1303-K1307 VanDerWaalsContact O-CG 3.32Å; S1303-K1307 WeakPolarHBondContact O-CG 3.47Å |
| 1304 | C | 70.3 | Confident | 60.2 | Low | 19 Ų | 19 | 71.8 Ų | 71.8 | 13% | 0.128 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -93.4 | -46.5 | 172.6 | -75.2 | 0 | 0 | 0 | 0 | 111.3 | L1289 Y1300 L1301 L1302 K1307 Y1308 | L1289-C1304 HydrophobicContact CD2-CB 3.73Å; Y1300-C1304 WeakPolarHBondContact CE1-SG 3.16Å; Y1300-C1304 PolarHBondContact O-N 2.79Å; Y1300-C1304 PolarHBondContact O-SG 3.38Å; L1301-C1304 WeakPolarHBondContact O-CB 3.05Å; L1301-C1304 PolarHBondContact O-N 3.3Å; L1302-C1304 PolarHBondContact O-N 3.49Å; C1304-K1307 WeakPolarHBondContact O-CB 3.46Å; C1304-K1307 PolarHBondContact O-N 3.35Å; C1304-K1307 VanDerWaalsContact O-N 3.12Å; C1304-Y1308 VanDerWaalsContact O-CD2 3.22Å; C1304-Y1308 WeakPolarHBondContact O-CD2 3.25Å; C1304-Y1308 PolarHBondContact O-N 3.46Å; C1304-Y1308 VanDerWaalsContact O-N 3.15Å |
| 1305 | Y | 70.1 | Confident | 58.6 | Low | 11 Ų | 11 | 76.3 Ų | 76.3 | 4% | 0.043 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -66.5 | -39.6 | 176.6 | -67.8 | -53.8 | 0 | 0 | 0 | 111.2 | L1289 E1293 L1301 L1302 K1307 Y1308 D1309 V1321 K1324 L1325 | L1289-Y1305 HydrophobicContact CD1-CE1 4.17Å; L1289-Y1305 HydrophobicContact CD2-CD1 4.47Å; L1289-Y1305 HydrophobicContact CD2-CE1 3.92Å; L1289-Y1305 HydrophobicContact CD2-CE2 4.37Å; E1293-Y1305 PolarHBondContact OE1-OH 2.87Å; L1301-Y1305 HydrophobicContact CB-CD2 4.27Å; L1301-Y1305 HydrophobicContact CB-CE2 4.14Å; L1301-Y1305 HydrophobicContact CD2-CE2 4.25Å; L1301-Y1305 WeakPolarHBondContact O-CD2 3.45Å; L1301-Y1305 PolarHBondContact O-N 2.9Å; L1302-Y1305 PolarHBondContact O-N 3.5Å; Y1305-K1307 PolarHBondContact O-N 2.94Å; Y1305-Y1308 PolarHBondContact O-N 3.46Å; Y1305-D1309 PolarHBondContact O-N 3.42Å; Y1305-D1309 VanDerWaalsContact O-N 3.16Å; Y1305-V1321 HydrophobicContact CD1-CG1 4.29Å; Y1305-K1324 HydrophobicContact CD2-CB 4.25Å; Y1305-K1324 HydrophobicContact CE1-CD 3.98Å; Y1305-K1324 HydrophobicContact CE2-CB 4Å; Y1305-K1324 HydrophobicContact CE2-CD 4.42Å; Y1305-L1325 VanDerWaalsContact CB-CD2 3.45Å |
| 1306 | D | 67.9 | Low | 57.3 | Low | 72 Ų | 72 | 82.3 Ų | 82.3 | 39% | 0.385 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -55.2 | -24.8 | 170.3 | -65.9 | -19.9 | 0 | 0 | 0 | 113.1 | L1302 L1310 L1325 | L1302-D1306 VanDerWaalsContact O-CB 3.31Å; L1302-D1306 WeakPolarHBondContact O-CB 3.45Å; L1302-D1306 PolarHBondContact O-N 2.95Å; D1306-L1310 WeakPolarHBondContact O-CD1 3.35Å; D1306-L1310 WeakPolarHBondContact O-CG 3.29Å; D1306-L1325 VanDerWaalsContact OD1-CD2 3.29Å; D1306-L1325 WeakPolarHBondContact OD1-CD2 3.4Å |
| 1307 | K | 66.6 | Low | 56.4 | Low | 133 Ų | 133 | 85.5 Ų | 85.5 | 58% | 0.578 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -90.5 | -25.7 | 176.4 | -72.4 | 174.7 | -174.7 | 170.9 | 0 | 113.5 | S1303 C1304 Y1305 L1310 | S1303-K1307 VanDerWaalsContact O-CD 3.25Å; S1303-K1307 WeakPolarHBondContact O-CD 3.44Å; S1303-K1307 WeakPolarHBondContact O-CE 3.4Å; S1303-K1307 VanDerWaalsContact O-CG 3.32Å; S1303-K1307 WeakPolarHBondContact O-CG 3.47Å; C1304-K1307 WeakPolarHBondContact O-CB 3.46Å; C1304-K1307 PolarHBondContact O-N 3.35Å; C1304-K1307 VanDerWaalsContact O-N 3.12Å; Y1305-K1307 PolarHBondContact O-N 2.94Å; K1307-L1310 PolarHBondContact O-N 3.47Å |
| 1308 | Y | 60.4 | Low | 55.2 | Low | 105 Ų | 105 | 89 Ų | 89 | 41% | 0.412 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -74.3 | -33.2 | 175.1 | -81.7 | -68 | 0 | 0 | 0 | 111.4 | D1285 L1289 C1304 Y1305 L1310 N1311 | D1285-Y1308 WeakPolarHBondContact CB-OH 3.33Å; L1289-Y1308 HydrophobicContact CD1-CE2 3.93Å; C1304-Y1308 VanDerWaalsContact O-CD2 3.22Å; C1304-Y1308 WeakPolarHBondContact O-CD2 3.25Å; C1304-Y1308 PolarHBondContact O-N 3.46Å; C1304-Y1308 VanDerWaalsContact O-N 3.15Å; Y1305-Y1308 PolarHBondContact O-N 3.46Å; Y1308-L1310 PolarHBondContact O-N 3.14Å; Y1308-N1311 PolarHBondContact O-N 2.93Å |
| 1309 | D | 54.3 | Low | 54.1 | Low | 72 Ų | 72 | 92 Ų | 92 | 39% | 0.385 | 49% | 0.491 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69 | -9.3 | 172 | -73.6 | -36.7 | 0 | 0 | 0 | 113.9 | Y1305 H1322 L1325 | Y1305-D1309 PolarHBondContact O-N 3.42Å; Y1305-D1309 VanDerWaalsContact O-N 3.16Å; D1309-H1322 VanDerWaalsContact CG-CE1 3.49Å; D1309-H1322 IonicContact OD1-CE1 3.74Å; D1309-H1322 PolarHBondContact OD1-CE1 3.5Å; D1309-H1322 IonicContact OD1-ND1 2.73Å; D1309-H1322 IonicContact OD2-CE1 3.22Å; D1309-H1322 PolarHBondContact OD2-CE1 3.15Å; D1309-H1322 VanDerWaalsContact OD2-CE1 3.24Å; D1309-H1322 IonicContact OD2-ND1 3.44Å; D1309-L1325 VanDerWaalsContact OD2-CD1 3.28Å; D1309-L1325 WeakPolarHBondContact OD2-CD1 3.39Å |
| 1310 | L | 47.2 | Very low | 53.5 | Low | 140 Ų | 140 | 93.7 Ų | 93.7 | 73% | 0.733 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.2 | -11.1 | 178.6 | -72.1 | 171.7 | 0 | 0 | 0 | 114.3 | D1306 K1307 Y1308 | D1306-L1310 WeakPolarHBondContact O-CD1 3.35Å; D1306-L1310 WeakPolarHBondContact O-CG 3.29Å; K1307-L1310 PolarHBondContact O-N 3.47Å; Y1308-L1310 PolarHBondContact O-N 3.14Å |
| 1311 | N | 42.2 | Very low | 53 | Low | 121 Ų | 121 | 91.3 Ų | 91.3 | 65% | 0.647 | 49% | 0.489 | S | S | * | . | S | Bend | trans | -125.2 | 108.4 | -170.6 | -77.2 | -0.6 | 0 | 0 | 0 | 112.6 | Y1308 | Y1308-N1311 PolarHBondContact O-N 2.93Š|
| 1312 | E | 36.3 | Very low | 52.7 | Low | 187 Ų | 187 | 93.7 Ų | 93.7 | 87% | 0.874 | 50% | 0.5 | S | S | * | . | trans | 76.1 | 127.9 | 163.2 | -57.6 | -167.3 | 141.1 | 0 | 0 | 119.7 | L1314 | E1312-L1314 PolarHBondContact O-N 3.32Š| ||
| 1313 | E | 30.3 | Very low | 52.3 | Low | 194 Ų | 194 | 92.5 Ų | 92.5 | 91% | 0.907 | 50% | 0.495 | S | S | * | . | trans | -75.2 | 104.3 | 169 | -55.6 | 166 | 121.1 | 0 | 0 | 109.8 | ||||
| 1314 | L | 29.1 | Very low | 52.2 | Low | 143 Ų | 143 | 94 Ų | 94 | 75% | 0.749 | 50% | 0.496 | S | S | * | . | trans | -161.2 | 140.1 | 163.4 | -105.3 | 149.1 | 0 | 0 | 0 | 112.9 | E1312 | E1312-L1314 PolarHBondContact O-N 3.32Š| ||
| 1315 | D | 31.9 | Very low | 52.3 | Low | 122 Ų | 122 | 93.3 Ų | 93.3 | 65% | 0.652 | 49% | 0.491 | S | S | * | . | S | Bend | trans | 52.6 | 74 | 163.3 | -63.9 | -12.4 | 0 | 0 | 0 | 120.4 | S1317 | D1315-S1317 VanDerWaalsContact C-N 3.28Å; D1315-S1317 WeakPolarHBondContact O-CB 3.49Å; D1315-S1317 PolarHBondContact O-N 2.71Å; D1315-S1317 PolarHBondContact O-OG 3.34Å |
| 1316 | S | 36.1 | Very low | 52.3 | Low | 128 Ų | 128 | 92.8 Ų | 92.8 | 90% | 0.895 | 49% | 0.489 | S | S | * | . | S | Bend | trans | 51.9 | 17.3 | 132.7 | 72.2 | 0 | 0 | 0 | 0 | 120.9 | ||
| 1317 | S | 42.5 | Very low | 52.5 | Low | 84 Ų | 84 | 90.4 Ų | 90.4 | 59% | 0.587 | 48% | 0.478 | S | S | * | . | trans | -131.5 | 14.9 | -168.5 | 56.3 | 0 | 0 | 0 | 0 | 115.7 | D1315 N1319 N1320 | D1315-S1317 VanDerWaalsContact C-N 3.28Å; D1315-S1317 WeakPolarHBondContact O-CB 3.49Å; D1315-S1317 PolarHBondContact O-N 2.71Å; D1315-S1317 PolarHBondContact O-OG 3.34Å; S1317-N1319 PolarHBondContact O-N 3.21Å; S1317-N1320 WeakPolarHBondContact O-CB 3.48Å; S1317-N1320 PolarHBondContact O-N 2.88Å | ||
| 1318 | S | 42.1 | Very low | 52.8 | Low | 81 Ų | 81 | 84.1 Ų | 84.1 | 57% | 0.566 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.3 | -41.6 | -173.4 | 48.5 | 0 | 0 | 0 | 0 | 116.4 | N1320 V1321 | S1318-N1320 PolarHBondContact O-N 3.37Å; S1318-V1321 PolarHBondContact O-N 2.67Å |
| 1319 | N | 50.3 | Low | 53.4 | Low | 89 Ų | 89 | 79.9 Ų | 79.9 | 48% | 0.476 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -54.5 | -19.5 | -178.5 | -62.3 | 32.6 | 0 | 0 | 0 | 114 | S1317 S1323 | S1317-N1319 PolarHBondContact O-N 3.21Å; N1319-S1323 PolarHBondContact O-OG 3.42Å |
| 1320 | N | 55.9 | Low | 54.2 | Low | 101 Ų | 101 | 78 Ų | 78 | 54% | 0.54 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -86.6 | -3.3 | -177.7 | -149.1 | -3 | 0 | 0 | 0 | 114 | S1317 S1318 K1324 | S1317-N1320 WeakPolarHBondContact O-CB 3.48Å; S1317-N1320 PolarHBondContact O-N 2.88Å; S1318-N1320 PolarHBondContact O-N 3.37Å; N1320-K1324 VanDerWaalsContact O-CD 3.27Å; N1320-K1324 WeakPolarHBondContact O-CD 3.2Å; N1320-K1324 WeakPolarHBondContact O-CE 3.07Å; N1320-K1324 WeakPolarHBondContact O-CG 3.05Å |
| 1321 | V | 61.9 | Low | 55.3 | Low | 36 Ų | 36 | 76.2 Ų | 76.2 | 22% | 0.218 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -95.5 | -48.9 | 170.7 | -177.7 | 0 | 0 | 0 | 0 | 110.3 | Y1305 S1318 S1323 K1324 L1325 | Y1305-V1321 HydrophobicContact CD1-CG1 4.29Å; S1318-V1321 PolarHBondContact O-N 2.67Å; V1321-S1323 VanDerWaalsContact C-N 3.34Å; V1321-S1323 PolarHBondContact O-N 2.7Å; V1321-K1324 WeakPolarHBondContact O-CA 3.06Å; V1321-K1324 WeakPolarHBondContact O-CB 3.36Å; V1321-K1324 PolarHBondContact O-N 3.36Å; V1321-L1325 PolarHBondContact O-N 3.31Å |
| 1322 | H | 65 | Low | 56.5 | Low | 49 Ų | 49 | 73.1 Ų | 73.1 | 23% | 0.227 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -63.1 | -36.9 | -177 | -78.6 | 52.7 | 0 | 0 | 0 | 113.2 | D1309 K1324 L1325 A1326 E1345 | D1309-H1322 VanDerWaalsContact CG-CE1 3.49Å; D1309-H1322 IonicContact OD1-CE1 3.74Å; D1309-H1322 PolarHBondContact OD1-CE1 3.5Å; D1309-H1322 IonicContact OD1-ND1 2.73Å; D1309-H1322 IonicContact OD2-CE1 3.22Å; D1309-H1322 PolarHBondContact OD2-CE1 3.15Å; D1309-H1322 VanDerWaalsContact OD2-CE1 3.24Å; D1309-H1322 IonicContact OD2-ND1 3.44Å; H1322-K1324 VanDerWaalsContact C-N 3.25Å; H1322-K1324 PolarHBondContact O-N 3.36Å; H1322-L1325 PolarHBondContact O-N 3.24Å; H1322-A1326 WeakPolarHBondContact O-CB 3.38Å; H1322-A1326 PolarHBondContact O-N 3.14Å; H1322-E1345 VanDerWaalsContact CD2-CD 3.42Å; H1322-E1345 IonicContact CD2-OE1 2.65Å; H1322-E1345 PolarHBondContact CD2-OE1 3.47Å; H1322-E1345 IonicContact CD2-OE2 2.71Å; H1322-E1345 PolarHBondContact CD2-OE2 3.27Å; H1322-E1345 VanDerWaalsContact CD2-OE2 3.29Å; H1322-E1345 IonicContact CG-OE2 2.71Å; H1322-E1345 IonicContact NE2-OE1 3.01Å |
| 1323 | S | 65.7 | Low | 58 | Low | 13 Ų | 13 | 64.5 Ų | 64.5 | 9% | 0.091 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -64.3 | -25.1 | 171 | 48.2 | 0 | 0 | 0 | 0 | 113.7 | N1319 V1321 S1327 | N1319-S1323 PolarHBondContact O-OG 3.42Å; V1321-S1323 VanDerWaalsContact C-N 3.34Å; V1321-S1323 PolarHBondContact O-N 2.7Å; S1323-S1327 PolarHBondContact O-N 3.12Å |
| 1324 | K | 70.5 | Confident | 60 | Low | 75 Ų | 75 | 56.5 Ų | 56.5 | 33% | 0.326 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -83.2 | -38.2 | 174.1 | -62.7 | 178.9 | -174.4 | 178.9 | 0 | 112.5 | Y1305 N1320 V1321 H1322 A1326 S1327 C1328 | Y1305-K1324 HydrophobicContact CD2-CB 4.25Å; Y1305-K1324 HydrophobicContact CE1-CD 3.98Å; Y1305-K1324 HydrophobicContact CE2-CB 4Å; Y1305-K1324 HydrophobicContact CE2-CD 4.42Å; N1320-K1324 VanDerWaalsContact O-CD 3.27Å; N1320-K1324 WeakPolarHBondContact O-CD 3.2Å; N1320-K1324 WeakPolarHBondContact O-CE 3.07Å; N1320-K1324 WeakPolarHBondContact O-CG 3.05Å; V1321-K1324 WeakPolarHBondContact O-CA 3.06Å; V1321-K1324 WeakPolarHBondContact O-CB 3.36Å; V1321-K1324 PolarHBondContact O-N 3.36Å; H1322-K1324 VanDerWaalsContact C-N 3.25Å; H1322-K1324 PolarHBondContact O-N 3.36Å; K1324-A1326 VanDerWaalsContact C-N 3.34Å; K1324-S1327 PolarHBondContact O-N 3.38Å; K1324-C1328 PolarHBondContact O-N 3.41Å; K1324-C1328 PolarHBondContact O-SG 3.3Å |
| 1325 | L | 72.1 | Confident | 61.9 | Low | 3 Ų | 3 | 50 Ų | 50 | 2% | 0.016 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -56.9 | -49.2 | 169.2 | -74.7 | 172 | 0 | 0 | 0 | 110.7 | L1302 Y1305 D1306 D1309 V1321 H1322 S1327 C1328 L1329 F1341 | L1302-L1325 HydrophobicContact CD1-CD2 3.78Å; Y1305-L1325 VanDerWaalsContact CB-CD2 3.45Å; D1306-L1325 VanDerWaalsContact OD1-CD2 3.29Å; D1306-L1325 WeakPolarHBondContact OD1-CD2 3.4Å; D1309-L1325 VanDerWaalsContact OD2-CD1 3.28Å; D1309-L1325 WeakPolarHBondContact OD2-CD1 3.39Å; V1321-L1325 PolarHBondContact O-N 3.31Å; H1322-L1325 PolarHBondContact O-N 3.24Å; L1325-S1327 VanDerWaalsContact C-N 3.33Å; L1325-S1327 PolarHBondContact O-N 2.97Å; L1325-C1328 WeakPolarHBondContact O-CB 3.36Å; L1325-C1328 PolarHBondContact O-N 3.02Å; L1325-C1328 VanDerWaalsContact O-N 3.12Å; L1325-L1329 PolarHBondContact O-N 3.2Å; L1325-F1341 HydrophobicContact CB-CE1 4.23Å; L1325-F1341 HydrophobicContact CB-CZ 3.88Å; L1325-F1341 HydrophobicContact CD1-CZ 4.05Å |
| 1326 | A | 70.4 | Confident | 63.7 | Low | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -50.9 | -49.4 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | H1322 K1324 C1328 L1329 Q1330 F1338 L1359 L1362 | H1322-A1326 WeakPolarHBondContact O-CB 3.38Å; H1322-A1326 PolarHBondContact O-N 3.14Å; K1324-A1326 VanDerWaalsContact C-N 3.34Å; A1326-C1328 PolarHBondContact O-N 3.49Å; A1326-L1329 PolarHBondContact O-N 2.9Å; A1326-Q1330 PolarHBondContact O-N 3.45Å; A1326-Q1330 VanDerWaalsContact O-N 3.1Å; A1326-F1338 HydrophobicContact CB-CD2 4.28Å; A1326-F1338 HydrophobicContact CB-CE2 3.58Å; A1326-F1338 HydrophobicContact CB-CZ 4.49Å; A1326-L1359 HydrophobicContact CB-CD2 3.69Å; A1326-L1362 HydrophobicContact CB-CD1 4.11Å |
| 1327 | S | 71.8 | Confident | 65.3 | Low | 22 Ų | 22 | 52.3 Ų | 52.3 | 15% | 0.154 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -63.7 | -38.7 | 177.7 | -154.7 | 0 | 0 | 0 | 0 | 112.7 | S1323 K1324 L1325 R1331 | S1323-S1327 PolarHBondContact O-N 3.12Å; K1324-S1327 PolarHBondContact O-N 3.38Å; L1325-S1327 VanDerWaalsContact C-N 3.33Å; L1325-S1327 PolarHBondContact O-N 2.97Å; S1327-R1331 WeakPolarHBondContact O-CB 3.05Å; S1327-R1331 WeakPolarHBondContact O-CG 3.35Å; S1327-R1331 PolarHBondContact O-N 2.91Å; S1327-R1331 PolarHBondContact OG-NE 2.95Å |
| 1328 | C | 72.7 | Confident | 66.7 | Low | 2 Ų | 2 | 48.4 Ų | 48.4 | 1% | 0.014 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -63.8 | -45.7 | 176.3 | -65.4 | 0 | 0 | 0 | 0 | 111.7 | W1298 L1302 K1324 L1325 A1326 Q1330 R1331 L1332 | W1298-C1328 HydrophobicContact CB-CB 4.4Å; W1298-C1328 HydrophobicContact CE3-CB 4.46Å; L1302-C1328 HydrophobicContact CD1-CB 4.19Å; K1324-C1328 PolarHBondContact O-N 3.41Å; K1324-C1328 PolarHBondContact O-SG 3.3Å; L1325-C1328 WeakPolarHBondContact O-CB 3.36Å; L1325-C1328 PolarHBondContact O-N 3.02Å; L1325-C1328 VanDerWaalsContact O-N 3.12Å; A1326-C1328 PolarHBondContact O-N 3.49Å; C1328-Q1330 PolarHBondContact O-N 3.47Å; C1328-R1331 PolarHBondContact O-N 2.81Å; C1328-L1332 WeakPolarHBondContact O-CG 3.29Å; C1328-L1332 PolarHBondContact O-N 3.42Å |
| 1329 | L | 72.6 | Confident | 67.8 | Low | 16 Ų | 16 | 46.5 Ų | 46.5 | 8% | 0.084 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -63.5 | -41.5 | 178.8 | -67.4 | 173.3 | 0 | 0 | 0 | 112.3 | L1302 L1325 A1326 L1332 A1334 F1338 F1341 | L1302-L1329 HydrophobicContact CD1-CD2 3.75Å; L1302-L1329 HydrophobicContact CD1-CG 3.87Å; L1302-L1329 HydrophobicContact CD2-CD2 3.9Å; L1325-L1329 PolarHBondContact O-N 3.2Å; A1326-L1329 PolarHBondContact O-N 2.9Å; L1329-L1332 PolarHBondContact O-N 3.07Å; L1329-A1334 WeakPolarHBondContact O-CB 3.49Å; L1329-A1334 PolarHBondContact O-N 3.15Å; L1329-F1338 HydrophobicContact CB-CB 3.86Å; L1329-F1338 HydrophobicContact CB-CD2 4.2Å; L1329-F1338 HydrophobicContact CB-CG 4.43Å; L1329-F1341 HydrophobicContact CD1-CB 3.71Å; L1329-F1341 HydrophobicContact CD1-CD1 4.07Å; L1329-F1341 HydrophobicContact CD1-CD2 4.08Å; L1329-F1341 HydrophobicContact CD1-CG 3.69Å |
| 1330 | Q | 72.6 | Confident | 68.6 | Low | 31 Ų | 31 | 49 Ų | 49 | 15% | 0.145 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -66.9 | -39 | 176.4 | -175.8 | -93.2 | 1.8 | 0 | 0 | 112.2 | A1326 C1328 G1333 L1362 | A1326-Q1330 PolarHBondContact O-N 3.45Å; A1326-Q1330 VanDerWaalsContact O-N 3.1Å; C1328-Q1330 PolarHBondContact O-N 3.47Å; Q1330-G1333 WeakPolarHBondContact O-CA 2.99Å; Q1330-G1333 PolarHBondContact O-N 3.31Å; Q1330-L1362 HydrophobicContact CB-CD2 3.77Å; Q1330-L1362 VanDerWaalsContact CD-CD2 3.45Å; Q1330-L1362 HydrophobicContact CG-CB 4.42Å; Q1330-L1362 HydrophobicContact CG-CD2 3.6Å |
| 1331 | R | 69.3 | Low | 69.1 | Low | 103 Ų | 103 | 47.1 Ų | 47.1 | 39% | 0.389 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -78.2 | -17.2 | 178.8 | -65.4 | 176.4 | -174.1 | -159.6 | -0.5 | 114.5 | W1298 S1327 C1328 | W1298-R1331 HydrophobicContact CD2-CB 3.71Å; W1298-R1331 HydrophobicContact CD2-CG 4.45Å; W1298-R1331 VanDerWaalsContact CE2-CD 3.5Å; W1298-R1331 HydrophobicContact CE3-CB 4.44Å; W1298-R1331 HydrophobicContact CG-CB 3.74Å; W1298-R1331 HydrophobicContact CZ2-CB 4.45Å; W1298-R1331 VanDerWaalsContact CZ2-CD 3.44Å; S1327-R1331 WeakPolarHBondContact O-CB 3.05Å; S1327-R1331 WeakPolarHBondContact O-CG 3.35Å; S1327-R1331 PolarHBondContact O-N 2.91Å; S1327-R1331 PolarHBondContact OG-NE 2.95Å; C1328-R1331 PolarHBondContact O-N 2.81Å |
| 1332 | L | 68.3 | Low | 69.1 | Low | 57 Ų | 57 | 46.1 Ų | 46.1 | 30% | 0.298 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -9.2 | 160.8 | -73.8 | 170.5 | 0 | 0 | 0 | 112.7 | W1298 L1302 C1328 L1329 A1334 | W1298-L1332 HydrophobicContact CB-CD1 4.4Å; W1298-L1332 HydrophobicContact CB-CD2 3.79Å; W1298-L1332 HydrophobicContact CB-CG 3.66Å; L1302-L1332 HydrophobicContact CD2-CD1 4.44Å; C1328-L1332 WeakPolarHBondContact O-CG 3.29Å; C1328-L1332 PolarHBondContact O-N 3.42Å; L1329-L1332 PolarHBondContact O-N 3.07Å; L1332-A1334 HydrophobicContact CB-CB 4.14Å; L1332-A1334 PolarHBondContact O-N 2.81Å |
| 1333 | G | 66.4 | Low | 68.7 | Low | 6 Ų | 6 | 48.3 Ų | 48.3 | 6% | 0.062 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 67.4 | 15.6 | -169.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q1330 N1335 Y1564 | Q1330-G1333 WeakPolarHBondContact O-CA 2.99Å; Q1330-G1333 PolarHBondContact O-N 3.31Å; G1333-N1335 VanDerWaalsContact C-OD1 3.31Å; G1333-N1335 PolarHBondContact O-N 2.85Å; G1333-N1335 PolarHBondContact O-OD1 3.3Å; G1333-Y1564 VanDerWaalsContact CA-CE1 3.48Å; G1333-Y1564 VanDerWaalsContact CA-CZ 3.49Å; G1333-Y1564 WeakPolarHBondContact O-CE2 3.5Å; G1333-Y1564 PolarHBondContact O-OH 3.21Å |
| 1334 | A | 72.3 | Confident | 67.9 | Low | 25 Ų | 25 | 53.8 Ų | 53.8 | 21% | 0.207 | 26% | 0.257 | C | S | . | . | trans | -76.3 | 42.1 | -177.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | L1329 L1332 R1336 L1337 F1338 | L1329-A1334 WeakPolarHBondContact O-CB 3.49Å; L1329-A1334 PolarHBondContact O-N 3.15Å; L1332-A1334 HydrophobicContact CB-CB 4.14Å; L1332-A1334 PolarHBondContact O-N 2.81Å; A1334-R1336 PolarHBondContact O-N 2.95Å; A1334-L1337 HydrophobicContact CB-CB 4.2Å; A1334-L1337 HydrophobicContact CB-CD1 4.36Å; A1334-L1337 CarbonylContact O-C 3.5Å; A1334-L1337 WeakPolarHBondContact O-CA 3.36Å; A1334-L1337 WeakPolarHBondContact O-CB 3.44Å; A1334-L1337 PolarHBondContact O-N 3.03Å; A1334-F1338 PolarHBondContact O-N 3.34Å | ||
| 1335 | N | 70.4 | Confident | 66.9 | Low | 6 Ų | 6 | 54.1 Ų | 54.1 | 3% | 0.032 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -50.4 | -37.8 | -167.5 | -63.6 | 9.5 | 0 | 0 | 0 | 113.4 | G1333 E1339 A1366 L1370 | G1333-N1335 VanDerWaalsContact C-OD1 3.31Å; G1333-N1335 PolarHBondContact O-N 2.85Å; G1333-N1335 PolarHBondContact O-OD1 3.3Å; N1335-E1339 WeakPolarHBondContact O-CB 3.42Å; N1335-E1339 PolarHBondContact O-N 2.65Å; N1335-A1366 HydrophobicContact CB-CB 3.95Å; N1335-L1370 HydrophobicContact CB-CD1 3.68Å; N1335-L1370 HydrophobicContact CB-CG 4.15Å |
| 1336 | R | 68.9 | Low | 65.2 | Low | 185 Ų | 185 | 59.6 Ų | 59.6 | 70% | 0.698 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -73.5 | -27.5 | 176.1 | -67.6 | -177.8 | 176.7 | 178.2 | -2 | 114.5 | A1334 K1340 L1370 | A1334-R1336 PolarHBondContact O-N 2.95Å; R1336-K1340 WeakPolarHBondContact O-CG 3.03Å; R1336-K1340 PolarHBondContact O-N 3.35Å; R1336-L1370 HydrophobicContact CG-CD1 4.03Å; R1336-L1370 HydrophobicContact CG-CD2 4.47Å |
| 1337 | L | 69.8 | Low | 63.8 | Low | 115 Ų | 115 | 62.4 Ų | 62.4 | 60% | 0.602 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -82.1 | -37.7 | 171.2 | -70.1 | 175 | 0 | 0 | 0 | 110.8 | A1334 K1340 F1341 | A1334-L1337 HydrophobicContact CB-CB 4.2Å; A1334-L1337 HydrophobicContact CB-CD1 4.36Å; A1334-L1337 CarbonylContact O-C 3.5Å; A1334-L1337 WeakPolarHBondContact O-CA 3.36Å; A1334-L1337 WeakPolarHBondContact O-CB 3.44Å; A1334-L1337 PolarHBondContact O-N 3.03Å; L1337-K1340 PolarHBondContact O-N 3.05Å; L1337-F1341 WeakPolarHBondContact O-CB 3.47Å; L1337-F1341 PolarHBondContact O-N 3.12Å |
| 1338 | F | 71.5 | Confident | 62.2 | Low | 1 Ų | 1 | 66.2 Ų | 66.2 | 0% | 0.004 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -62.6 | -44.7 | 172.7 | 173.2 | -111.7 | 0 | 0 | 0 | 111.9 | A1326 L1329 A1334 K1340 F1341 S1342 L1362 R1363 A1366 | A1326-F1338 HydrophobicContact CB-CD2 4.28Å; A1326-F1338 HydrophobicContact CB-CE2 3.58Å; A1326-F1338 HydrophobicContact CB-CZ 4.49Å; L1329-F1338 HydrophobicContact CB-CB 3.86Å; L1329-F1338 HydrophobicContact CB-CD2 4.2Å; L1329-F1338 HydrophobicContact CB-CG 4.43Å; A1334-F1338 PolarHBondContact O-N 3.34Å; F1338-K1340 VanDerWaalsContact C-N 3.34Å; F1338-K1340 PolarHBondContact O-N 3.45Å; F1338-F1341 PolarHBondContact O-N 3.46Å; F1338-S1342 WeakPolarHBondContact O-CB 3.34Å; F1338-S1342 PolarHBondContact O-N 3.44Å; F1338-S1342 PolarHBondContact O-OG 3.39Å; F1338-L1362 VanDerWaalsContact CE1-C 3.44Å; F1338-L1362 HydrophobicContact CE1-CB 3.94Å; F1338-L1362 WeakPolarHBondContact CE1-O 3.09Å; F1338-L1362 HydrophobicContact CE2-CB 4.45Å; F1338-L1362 HydrophobicContact CZ-CB 3.64Å; F1338-R1363 HydrophobicContact CE1-CG 4.2Å; F1338-R1363 HydrophobicContact CZ-CG 4.17Å; F1338-A1366 HydrophobicContact CD1-CB 3.93Å; F1338-A1366 HydrophobicContact CE1-CB 4.35Å |
| 1339 | E | 65.8 | Low | 60.5 | Low | 42 Ų | 42 | 70 Ų | 70 | 20% | 0.196 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -54 | -50.5 | 173.2 | 179.4 | 171.1 | -133.6 | 0 | 0 | 110.7 | N1335 S1342 L1343 Q1372 N1375 | N1335-E1339 WeakPolarHBondContact O-CB 3.42Å; N1335-E1339 PolarHBondContact O-N 2.65Å; E1339-S1342 PolarHBondContact O-N 3.12Å; E1339-S1342 PolarHBondContact O-OG 3.26Å; E1339-L1343 WeakPolarHBondContact O-CG 3.47Å; E1339-L1343 PolarHBondContact O-N 3.32Å; E1339-Q1372 PolarHBondContact OE1-NE2 3.47Å; E1339-Q1372 PolarHBondContact OE2-NE2 3.27Å; E1339-N1375 PolarHBondContact OE1-ND2 3.22Å |
| 1340 | K | 67.8 | Low | 58.6 | Low | 142 Ų | 142 | 73.9 Ų | 73.9 | 62% | 0.617 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -62.6 | -42 | 175.2 | -74.7 | -173.5 | 174.5 | -163.6 | 0 | 114 | R1336 L1337 F1338 S1342 L1343 N1344 | R1336-K1340 WeakPolarHBondContact O-CG 3.03Å; R1336-K1340 PolarHBondContact O-N 3.35Å; L1337-K1340 PolarHBondContact O-N 3.05Å; F1338-K1340 VanDerWaalsContact C-N 3.34Å; F1338-K1340 PolarHBondContact O-N 3.45Å; K1340-S1342 VanDerWaalsContact C-N 3.35Å; K1340-L1343 PolarHBondContact O-N 3.33Å; K1340-N1344 PolarHBondContact O-OD1 3.04Å |
| 1341 | F | 66.3 | Low | 56.7 | Low | 61 Ų | 61 | 75.2 Ų | 75.2 | 27% | 0.268 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -61.6 | -45.8 | 176.3 | -179.4 | -94.1 | 0 | 0 | 0 | 110.5 | L1325 L1329 L1337 F1338 L1343 N1344 | L1325-F1341 HydrophobicContact CB-CE1 4.23Å; L1325-F1341 HydrophobicContact CB-CZ 3.88Å; L1325-F1341 HydrophobicContact CD1-CZ 4.05Å; L1329-F1341 HydrophobicContact CD1-CB 3.71Å; L1329-F1341 HydrophobicContact CD1-CD1 4.07Å; L1329-F1341 HydrophobicContact CD1-CD2 4.08Å; L1329-F1341 HydrophobicContact CD1-CG 3.69Å; L1337-F1341 WeakPolarHBondContact O-CB 3.47Å; L1337-F1341 PolarHBondContact O-N 3.12Å; F1338-F1341 PolarHBondContact O-N 3.46Å; F1341-L1343 PolarHBondContact O-N 3.33Å; F1341-L1343 VanDerWaalsContact O-N 3.14Å; F1341-N1344 PolarHBondContact O-N 2.91Å |
| 1342 | S | 61.6 | Low | 54.9 | Low | 15 Ų | 15 | 76.5 Ų | 76.5 | 11% | 0.105 | 42% | 0.416 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -5.1 | -177.8 | 82.3 | 0 | 0 | 0 | 0 | 114.9 | F1338 E1339 K1340 R1363 | F1338-S1342 WeakPolarHBondContact O-CB 3.34Å; F1338-S1342 PolarHBondContact O-N 3.44Å; F1338-S1342 PolarHBondContact O-OG 3.39Å; E1339-S1342 PolarHBondContact O-N 3.12Å; E1339-S1342 PolarHBondContact O-OG 3.26Å; K1340-S1342 VanDerWaalsContact C-N 3.35Å; S1342-R1363 PolarHBondContact O-NH2 3.4Å |
| 1343 | L | 56 | Low | 53.5 | Low | 95 Ų | 95 | 81.2 Ų | 81.2 | 50% | 0.497 | 44% | 0.435 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | -17.3 | 175.5 | -77.6 | 164.6 | 0 | 0 | 0 | 113.1 | E1339 K1340 F1341 L1377 | E1339-L1343 WeakPolarHBondContact O-CG 3.47Å; E1339-L1343 PolarHBondContact O-N 3.32Å; K1340-L1343 PolarHBondContact O-N 3.33Å; F1341-L1343 PolarHBondContact O-N 3.33Å; F1341-L1343 VanDerWaalsContact O-N 3.14Å; L1343-L1377 HydrophobicContact CD2-CD2 4.09Å; L1343-L1377 HydrophobicContact CD2-CG 4.39Å |
| 1344 | N | 50 | Low | 52.4 | Low | 128 Ų | 128 | 89.9 Ų | 89.9 | 68% | 0.684 | 47% | 0.473 | S | S | * | . | S | Bend | trans | -86.8 | -4.5 | -168.5 | -72.2 | 6.1 | 0 | 0 | 0 | 115.3 | K1340 F1341 | K1340-N1344 PolarHBondContact O-OD1 3.04Å; F1341-N1344 PolarHBondContact O-N 2.91Å |
| 1345 | E | 47.6 | Very low | 51.1 | Low | 82 Ų | 82 | 90.1 Ų | 90.1 | 38% | 0.383 | 47% | 0.473 | S | S | . | . | trans | -124.1 | 127.1 | -174.1 | -67.6 | -164.4 | 107.2 | 0 | 0 | 114 | H1322 I1347 | H1322-E1345 VanDerWaalsContact CD2-CD 3.42Å; H1322-E1345 IonicContact CD2-OE1 2.65Å; H1322-E1345 PolarHBondContact CD2-OE1 3.47Å; H1322-E1345 IonicContact CD2-OE2 2.71Å; H1322-E1345 PolarHBondContact CD2-OE2 3.27Å; H1322-E1345 VanDerWaalsContact CD2-OE2 3.29Å; H1322-E1345 IonicContact CG-OE2 2.71Å; H1322-E1345 IonicContact NE2-OE1 3.01Å; E1345-I1347 VanDerWaalsContact C-N 3.31Å; E1345-I1347 HydrophobicContact CB-CG1 4.13Å; E1345-I1347 PolarHBondContact O-N 2.93Å; E1345-I1347 VanDerWaalsContact O-N 3.13Å | ||
| 1346 | S | 37.7 | Very low | 50.4 | Low | 118 Ų | 118 | 90.8 Ų | 90.8 | 83% | 0.825 | 48% | 0.477 | S | S | * | . | trans | -82.7 | 70.2 | 168.3 | 59.2 | 0 | 0 | 0 | 0 | 111.2 | D1348 | S1346-D1348 PolarHBondContact O-N 3.34Š| ||
| 1347 | I | 40.7 | Very low | 50.1 | Low | 58 Ų | 58 | 86.9 Ų | 86.9 | 30% | 0.297 | 47% | 0.469 | S | S | . | . | trans | -74.7 | 115.4 | 169.8 | -61.4 | 175.1 | 0 | 0 | 0 | 108.3 | E1345 L1349 L1359 | E1345-I1347 VanDerWaalsContact C-N 3.31Å; E1345-I1347 HydrophobicContact CB-CG1 4.13Å; E1345-I1347 PolarHBondContact O-N 2.93Å; E1345-I1347 VanDerWaalsContact O-N 3.13Å; I1347-L1349 PolarHBondContact O-N 3.38Å; I1347-L1359 HydrophobicContact CD1-CD1 4.05Å | ||
| 1348 | D | 37.7 | Very low | 49.8 | Very low | 102 Ų | 102 | 84.3 Ų | 84.3 | 55% | 0.545 | 46% | 0.459 | S | S | . | . | trans | -71.4 | 109.1 | -176.5 | -164.2 | -29.3 | 0 | 0 | 0 | 111.1 | S1346 T1350 | S1346-D1348 PolarHBondContact O-N 3.34Å; D1348-T1350 PolarHBondContact O-N 3.47Å; D1348-T1350 WeakPolarHBondContact OD1-CG2 3.48Å; D1348-T1350 PolarHBondContact OD1-N 3.49Å; D1348-T1350 PolarHBondContact OD1-OG1 3.32Å | ||
| 1349 | L | 37.1 | Very low | 49.5 | Very low | 81 Ų | 81 | 85.5 Ų | 85.5 | 42% | 0.424 | 47% | 0.465 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | 12.3 | -170.7 | -74.3 | 167.5 | 0 | 0 | 0 | 114.7 | I1347 | I1347-L1349 PolarHBondContact O-N 3.38Š|
| 1350 | T | 34 | Very low | 49.6 | Very low | 99 Ų | 99 | 88.5 Ų | 88.5 | 61% | 0.607 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.5 | -11.5 | -174.8 | 58.2 | 0 | 0 | 0 | 0 | 114.1 | D1348 | D1348-T1350 PolarHBondContact O-N 3.47Å; D1348-T1350 WeakPolarHBondContact OD1-CG2 3.48Å; D1348-T1350 PolarHBondContact OD1-N 3.49Å; D1348-T1350 PolarHBondContact OD1-OG1 3.32Å |
| 1351 | A | 32.3 | Very low | 49.8 | Very low | 59 Ų | 59 | 84.9 Ų | 84.9 | 49% | 0.488 | 46% | 0.463 | S | S | . | . | S | Bend | trans | -90.4 | 113.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | K1353 | A1351-K1353 PolarHBondContact O-N 2.94Š|
| 1352 | S | 30 | Very low | 50 | Low | 129 Ų | 129 | 82.8 Ų | 82.8 | 90% | 0.902 | 45% | 0.454 | S | S | * | . | trans | -70.6 | 78.8 | -176.3 | 45.6 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1353 | K | 39.8 | Very low | 50.4 | Low | 157 Ų | 157 | 86.3 Ų | 86.3 | 68% | 0.683 | 47% | 0.465 | S | S | * | . | trans | -131.8 | 148.9 | 173.1 | -67.7 | -178.1 | -179.6 | 175 | 0 | 112 | A1351 S1355 | A1351-K1353 PolarHBondContact O-N 2.94Å; K1353-S1355 PolarHBondContact O-N 3.1Å | ||
| 1354 | Q | 43.2 | Very low | 51.2 | Low | 187 Ų | 187 | 82.2 Ų | 82.2 | 87% | 0.874 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66 | -6.9 | -172.3 | -69.7 | 176.9 | -33.3 | 0 | 0 | 115.2 | D1356 | Q1354-D1356 VanDerWaalsContact C-N 3.31Å; Q1354-D1356 PolarHBondContact O-N 3.03Å |
| 1355 | S | 44.2 | Very low | 52.3 | Low | 30 Ų | 30 | 76.2 Ų | 76.2 | 21% | 0.21 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -57.7 | -41.2 | 175.4 | 35.7 | 0 | 0 | 0 | 0 | 113 | K1353 L1357 T1358 | K1353-S1355 PolarHBondContact O-N 3.1Å; S1355-L1357 PolarHBondContact O-N 2.95Å; S1355-T1358 PolarHBondContact O-N 3.26Å; S1355-T1358 PolarHBondContact O-OG1 3.03Å |
| 1356 | D | 55.9 | Low | 53.6 | Low | 21 Ų | 21 | 72.5 Ų | 72.5 | 11% | 0.112 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -80.9 | -24.1 | -155.7 | -67.4 | 29.6 | 0 | 0 | 0 | 113.2 | Q1354 T1358 K1360 | Q1354-D1356 VanDerWaalsContact C-N 3.31Å; Q1354-D1356 PolarHBondContact O-N 3.03Å; D1356-T1358 VanDerWaalsContact C-N 3.32Å; D1356-K1360 WeakPolarHBondContact O-CG 3.43Å; D1356-K1360 PolarHBondContact O-N 3.45Å |
| 1357 | L | 62.8 | Low | 55.1 | Low | 102 Ų | 102 | 67 Ų | 67 | 53% | 0.534 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -64 | -39.6 | 174.2 | -165.7 | 71.5 | 0 | 0 | 0 | 111.1 | S1355 L1359 K1360 E1361 | S1355-L1357 PolarHBondContact O-N 2.95Å; L1357-L1359 PolarHBondContact O-N 2.96Å; L1357-K1360 WeakPolarHBondContact O-CB 3.17Å; L1357-K1360 PolarHBondContact O-N 3.33Å; L1357-E1361 PolarHBondContact O-N 3.4Å |
| 1358 | T | 63.7 | Low | 56.9 | Low | 61 Ų | 61 | 64.3 Ų | 64.3 | 37% | 0.374 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -64.5 | -41.3 | -178.2 | 71.7 | 0 | 0 | 0 | 0 | 111.9 | S1355 D1356 K1360 E1361 L1362 | S1355-T1358 PolarHBondContact O-N 3.26Å; S1355-T1358 PolarHBondContact O-OG1 3.03Å; D1356-T1358 VanDerWaalsContact C-N 3.32Å; T1358-K1360 VanDerWaalsContact C-N 3.32Å; T1358-K1360 PolarHBondContact O-N 3.46Å; T1358-E1361 PolarHBondContact O-N 2.95Å; T1358-L1362 WeakPolarHBondContact O-CG 3.41Å; T1358-L1362 PolarHBondContact O-N 3.31Å |
| 1359 | L | 66.2 | Low | 58.6 | Low | 26 Ų | 26 | 60 Ų | 60 | 14% | 0.136 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -66.2 | -33.5 | 176.3 | -91.3 | 161.6 | 0 | 0 | 0 | 112.3 | A1326 I1347 L1357 R1363 | A1326-L1359 HydrophobicContact CB-CD2 3.69Å; I1347-L1359 HydrophobicContact CD1-CD1 4.05Å; L1357-L1359 PolarHBondContact O-N 2.96Å; L1359-R1363 WeakPolarHBondContact O-CB 3.25Å; L1359-R1363 WeakPolarHBondContact O-CG 3.5Å; L1359-R1363 PolarHBondContact O-N 3.47Å |
| 1360 | K | 67.1 | Low | 60.2 | Low | 106 Ų | 106 | 58.4 Ų | 58.4 | 46% | 0.461 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -67 | -44.8 | 174.5 | -70.1 | 172.7 | -176.8 | 174.1 | 0 | 111.7 | D1356 L1357 T1358 R1363 S1364 | D1356-K1360 WeakPolarHBondContact O-CG 3.43Å; D1356-K1360 PolarHBondContact O-N 3.45Å; L1357-K1360 WeakPolarHBondContact O-CB 3.17Å; L1357-K1360 PolarHBondContact O-N 3.33Å; T1358-K1360 VanDerWaalsContact C-N 3.32Å; T1358-K1360 PolarHBondContact O-N 3.46Å; K1360-R1363 PolarHBondContact O-N 2.99Å; K1360-S1364 PolarHBondContact O-N 3.23Å; K1360-S1364 VanDerWaalsContact O-N 3.11Å; K1360-S1364 PolarHBondContact O-OG 3.05Å |
| 1361 | E | 72.8 | Confident | 61.9 | Low | 66 Ų | 66 | 55.8 Ų | 55.8 | 31% | 0.308 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -58.3 | -51.7 | 172.6 | -75.3 | -159.1 | 115.5 | 0 | 0 | 111.5 | L1357 T1358 R1363 S1364 A1365 G1401 L1402 | L1357-E1361 PolarHBondContact O-N 3.4Å; T1358-E1361 PolarHBondContact O-N 2.95Å; E1361-R1363 VanDerWaalsContact C-N 3.33Å; E1361-R1363 PolarHBondContact O-N 3.04Å; E1361-S1364 PolarHBondContact O-N 3.21Å; E1361-S1364 VanDerWaalsContact O-N 3.07Å; E1361-S1364 PolarHBondContact O-OG 3.03Å; E1361-A1365 WeakPolarHBondContact O-CB 3.49Å; E1361-A1365 PolarHBondContact O-N 3.36Å; E1361-G1401 WeakPolarHBondContact OE1-CA 3.42Å; E1361-L1402 PolarHBondContact OE1-N 3.26Å |
| 1362 | L | 70.1 | Confident | 63.6 | Low | 16 Ų | 16 | 55 Ų | 55 | 8% | 0.084 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -59.7 | -41 | -177.7 | -63.7 | 169.6 | 0 | 0 | 0 | 112.2 | A1326 Q1330 F1338 T1358 A1365 A1366 | A1326-L1362 HydrophobicContact CB-CD1 4.11Å; Q1330-L1362 HydrophobicContact CB-CD2 3.77Å; Q1330-L1362 VanDerWaalsContact CD-CD2 3.45Å; Q1330-L1362 HydrophobicContact CG-CB 4.42Å; Q1330-L1362 HydrophobicContact CG-CD2 3.6Å; F1338-L1362 VanDerWaalsContact CE1-C 3.44Å; F1338-L1362 HydrophobicContact CE1-CB 3.94Å; F1338-L1362 WeakPolarHBondContact CE1-O 3.09Å; F1338-L1362 HydrophobicContact CE2-CB 4.45Å; F1338-L1362 HydrophobicContact CZ-CB 3.64Å; T1358-L1362 WeakPolarHBondContact O-CG 3.41Å; T1358-L1362 PolarHBondContact O-N 3.31Å; L1362-A1365 PolarHBondContact O-N 3.17Å; L1362-A1366 PolarHBondContact O-N 2.98Å |
| 1363 | R | 69.9 | Low | 65.1 | Low | 90 Ų | 90 | 49.7 Ų | 49.7 | 34% | 0.34 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -60.4 | -44.1 | 173.3 | -79.8 | -179.6 | 174.3 | 159.6 | 2.3 | 112.1 | F1338 S1342 L1359 K1360 E1361 A1367 | F1338-R1363 HydrophobicContact CE1-CG 4.2Å; F1338-R1363 HydrophobicContact CZ-CG 4.17Å; S1342-R1363 PolarHBondContact O-NH2 3.4Å; L1359-R1363 WeakPolarHBondContact O-CB 3.25Å; L1359-R1363 WeakPolarHBondContact O-CG 3.5Å; L1359-R1363 PolarHBondContact O-N 3.47Å; K1360-R1363 PolarHBondContact O-N 2.99Å; E1361-R1363 VanDerWaalsContact C-N 3.33Å; E1361-R1363 PolarHBondContact O-N 3.04Å; R1363-A1367 PolarHBondContact O-N 3.19Å |
| 1364 | S | 72.1 | Confident | 65.5 | Low | 9 Ų | 9 | 43.1 Ų | 43.1 | 6% | 0.063 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -66.4 | -42 | 177.3 | 68.3 | 0 | 0 | 0 | 0 | 113 | K1360 E1361 A1366 A1367 W1368 E1403 T1404 | K1360-S1364 PolarHBondContact O-N 3.23Å; K1360-S1364 VanDerWaalsContact O-N 3.11Å; K1360-S1364 PolarHBondContact O-OG 3.05Å; E1361-S1364 PolarHBondContact O-N 3.21Å; E1361-S1364 VanDerWaalsContact O-N 3.07Å; E1361-S1364 PolarHBondContact O-OG 3.03Å; S1364-A1366 VanDerWaalsContact C-N 3.27Å; S1364-A1366 PolarHBondContact O-N 3.1Å; S1364-A1367 PolarHBondContact O-N 3.19Å; S1364-W1368 PolarHBondContact O-N 3.44Å; S1364-E1403 WeakPolarHBondContact OG-CB 3.41Å; S1364-E1403 PolarHBondContact OG-O 2.86Å; S1364-T1404 WeakPolarHBondContact OG-CA 3.44Å; S1364-T1404 WeakPolarHBondContact OG-CG2 3.45Å; S1364-T1404 PolarHBondContact OG-N 2.98Å; S1364-T1404 VanDerWaalsContact OG-N 3.09Å |
| 1365 | A | 74.1 | Confident | 65.3 | Low | 1 Ų | 1 | 35.5 Ų | 35.5 | 1% | 0.008 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -59 | -37.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | E1361 L1362 R1369 E1403 | E1361-A1365 WeakPolarHBondContact O-CB 3.49Å; E1361-A1365 PolarHBondContact O-N 3.36Å; L1362-A1365 PolarHBondContact O-N 3.17Å; A1365-R1369 WeakPolarHBondContact O-CG 3.42Å; A1365-R1369 PolarHBondContact O-NH1 2.86Å; A1365-E1403 WeakPolarHBondContact CA-OE2 3.37Å; A1365-E1403 HydrophobicContact CB-CB 3.85Å; A1365-E1403 HydrophobicContact CB-CG 3.77Å; A1365-E1403 WeakPolarHBondContact CB-OE2 3.28Å |
| 1366 | A | 73.4 | Confident | 65 | Low | 4 Ų | 4 | 34.7 Ų | 34.7 | 3% | 0.033 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -70.3 | -49.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112 | N1335 F1338 L1362 S1364 L1370 | N1335-A1366 HydrophobicContact CB-CB 3.95Å; F1338-A1366 HydrophobicContact CD1-CB 3.93Å; F1338-A1366 HydrophobicContact CE1-CB 4.35Å; L1362-A1366 PolarHBondContact O-N 2.98Å; S1364-A1366 VanDerWaalsContact C-N 3.27Å; S1364-A1366 PolarHBondContact O-N 3.1Å; A1366-L1370 WeakPolarHBondContact O-CG 3.43Å; A1366-L1370 PolarHBondContact O-N 3.17Å |
| 1367 | A | 70.8 | Confident | 63.9 | Low | 4 Ų | 4 | 35.4 Ų | 35.4 | 3% | 0.033 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -64.1 | -48.8 | -172.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | R1363 S1364 R1369 L1370 Q1372 Y1407 | R1363-A1367 PolarHBondContact O-N 3.19Å; S1364-A1367 PolarHBondContact O-N 3.19Å; A1367-R1369 PolarHBondContact O-N 3.15Å; A1367-L1370 PolarHBondContact O-N 3.24Å; A1367-Q1372 HydrophobicContact CB-CB 4.31Å; A1367-Q1372 WeakPolarHBondContact O-CA 3.24Å; A1367-Q1372 WeakPolarHBondContact O-CB 3.41Å; A1367-Q1372 PolarHBondContact O-N 2.96Å; A1367-Y1407 HydrophobicContact CB-CD2 4.28Å |
| 1368 | W | 76.9 | Confident | 62.2 | Low | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -68.7 | -37.3 | -174.8 | 81.2 | -111.8 | 0 | 0 | 0 | 112.3 | S1364 L1370 N1371 W1373 E1403 F1406 Y1407 L1410 P1514 T1517 L1518 | S1364-W1368 PolarHBondContact O-N 3.44Å; W1368-L1370 VanDerWaalsContact C-N 3.26Å; W1368-L1370 PolarHBondContact O-N 2.91Å; W1368-N1371 PolarHBondContact O-N 3.27Å; W1368-N1371 VanDerWaalsContact O-N 3.13Å; W1368-W1373 HydrophobicContact CB-CH2 3.62Å; W1368-W1373 HydrophobicContact CB-CZ3 3.6Å; W1368-W1373 WeakPolarHBondContact O-CH2 3.24Å; W1368-E1403 PolarHBondContact NE1-OE2 3.34Å; W1368-F1406 HydrophobicContact CZ2-CD2 4.29Å; W1368-Y1407 HydrophobicContact CB-CD2 4.11Å; W1368-L1410 HydrophobicContact CD2-CD1 4.2Å; W1368-L1410 HydrophobicContact CE3-CD1 3.37Å; W1368-L1410 HydrophobicContact CZ3-CD1 3.81Å; W1368-P1514 VanDerWaalsContact CH2-O 3.24Å; W1368-P1514 WeakPolarHBondContact CH2-O 3.31Å; W1368-P1514 HydrophobicContact CZ2-CB 4.38Å; W1368-T1517 HydrophobicContact CH2-CG2 3.89Å; W1368-T1517 HydrophobicContact CZ3-CG2 3.74Å; W1368-L1518 HydrophobicContact CH2-CB 4.03Å; W1368-L1518 HydrophobicContact CZ3-CB 4.23Å |
| 1369 | R | 74.4 | Confident | 60.5 | Low | 11 Ų | 11 | 29.7 Ų | 29.7 | 4% | 0.042 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -65 | -28.5 | 176.2 | -73.5 | -176.3 | -179.5 | 73.8 | -6.8 | 113.3 | A1365 A1367 N1371 E1403 E1513 T1517 | A1365-R1369 WeakPolarHBondContact O-CG 3.42Å; A1365-R1369 PolarHBondContact O-NH1 2.86Å; A1367-R1369 PolarHBondContact O-N 3.15Å; R1369-N1371 VanDerWaalsContact C-N 3.28Å; R1369-E1403 IonicContact CZ-OE1 3.56Å; R1369-E1403 IonicContact CZ-OE2 2.71Å; R1369-E1403 VanDerWaalsContact NH1-CD 3.33Å; R1369-E1403 IonicContact NH1-OE1 3.45Å; R1369-E1403 PolarHBondContact NH1-OE1 2.83Å; R1369-E1403 IonicContact NH1-OE2 2.67Å; R1369-E1403 PolarHBondContact NH1-OE2 3.4Å; R1369-E1403 IonicContact NH2-OE1 3.95Å; R1369-E1403 PolarHBondContact NH2-OE1 3.1Å; R1369-E1403 IonicContact NH2-OE2 3.66Å; R1369-E1513 IonicContact CZ-OE1 3.91Å; R1369-E1513 IonicContact CZ-OE2 3.88Å; R1369-E1513 IonicContact NE-OE1 2.75Å; R1369-E1513 PolarHBondContact NE-OE1 2.78Å; R1369-E1513 VanDerWaalsContact NE-OE1 3.11Å; R1369-E1513 IonicContact NE-OE2 3.76Å; R1369-E1513 PolarHBondContact NE-OE2 2.72Å; R1369-E1513 VanDerWaalsContact NE-OE2 3.11Å; R1369-E1513 IonicContact NH2-OE2 3.59Å; R1369-E1513 PolarHBondContact NH2-OE2 2.89Å; R1369-T1517 HydrophobicContact CG-CG2 4.29Å |
| 1370 | L | 71.4 | Confident | 58.7 | Low | 48 Ų | 48 | 33.4 Ų | 33.4 | 25% | 0.251 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | 2.7 | 177.1 | -74.4 | 173.9 | 0 | 0 | 0 | 113.5 | N1335 R1336 A1366 A1367 W1368 Q1372 | N1335-L1370 HydrophobicContact CB-CD1 3.68Å; N1335-L1370 HydrophobicContact CB-CG 4.15Å; R1336-L1370 HydrophobicContact CG-CD1 4.03Å; R1336-L1370 HydrophobicContact CG-CD2 4.47Å; A1366-L1370 WeakPolarHBondContact O-CG 3.43Å; A1366-L1370 PolarHBondContact O-N 3.17Å; A1367-L1370 PolarHBondContact O-N 3.24Å; W1368-L1370 VanDerWaalsContact C-N 3.26Å; W1368-L1370 PolarHBondContact O-N 2.91Å; L1370-Q1372 HydrophobicContact CB-CB 4.47Å; L1370-Q1372 HydrophobicContact CB-CG 3.99Å; L1370-Q1372 VanDerWaalsContact CB-OE1 3.31Å; L1370-Q1372 PolarHBondContact O-N 3.19Å |
| 1371 | N | 69.4 | Low | 56.9 | Low | 45 Ų | 45 | 30.1 Ų | 30.1 | 24% | 0.241 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 52.5 | 24.9 | -163.5 | -73.3 | 15.4 | 0 | 0 | 0 | 112.8 | W1368 R1369 W1373 K1521 | W1368-N1371 PolarHBondContact O-N 3.27Å; W1368-N1371 VanDerWaalsContact O-N 3.13Å; R1369-N1371 VanDerWaalsContact C-N 3.28Å; N1371-W1373 HydrophobicContact CB-CZ2 4.44Å; N1371-W1373 PolarHBondContact O-N 3.31Å; N1371-K1521 VanDerWaalsContact CG-NZ 3.33Å; N1371-K1521 PolarHBondContact ND2-NZ 2.9Å; N1371-K1521 WeakPolarHBondContact OD1-CD 3.3Å; N1371-K1521 WeakPolarHBondContact OD1-CE 3.34Å; N1371-K1521 PolarHBondContact OD1-NZ 3.23Å |
| 1372 | Q | 66.5 | Low | 54.9 | Low | 42 Ų | 42 | 29.7 Ų | 29.7 | 20% | 0.196 | 15% | 0.151 | C | C | . | . | trans | -76.6 | 70.3 | 166 | -69.9 | 165.8 | -54.8 | 0 | 0 | 108.3 | K529 E1339 A1367 L1370 D1374 N1375 | K529-Q1372 WeakPolarHBondContact CE-O 3.44Å; K529-Q1372 PolarHBondContact NZ-O 3.42Å; E1339-Q1372 PolarHBondContact OE1-NE2 3.47Å; E1339-Q1372 PolarHBondContact OE2-NE2 3.27Å; A1367-Q1372 HydrophobicContact CB-CB 4.31Å; A1367-Q1372 WeakPolarHBondContact O-CA 3.24Å; A1367-Q1372 WeakPolarHBondContact O-CB 3.41Å; A1367-Q1372 PolarHBondContact O-N 2.96Å; L1370-Q1372 HydrophobicContact CB-CB 4.47Å; L1370-Q1372 HydrophobicContact CB-CG 3.99Å; L1370-Q1372 VanDerWaalsContact CB-OE1 3.31Å; L1370-Q1372 PolarHBondContact O-N 3.19Å; Q1372-D1374 WeakPolarHBondContact CB-O 3.32Å; Q1372-D1374 PolarHBondContact O-N 2.98Å; Q1372-N1375 WeakPolarHBondContact CB-OD1 3.37Å | ||
| 1373 | W | 62.7 | Low | 53 | Low | 18 Ų | 18 | 37 Ų | 37 | 7% | 0.068 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -59.1 | -12.4 | 146.5 | -41.4 | 121.8 | 0 | 0 | 0 | 110 | K529 Y532 W1368 N1371 Y1407 L1410 R1411 | K529-W1373 WeakPolarHBondContact CB-O 3.48Å; K529-W1373 WeakPolarHBondContact CD-O 2.96Å; K529-W1373 WeakPolarHBondContact CE-O 3.43Å; K529-W1373 WeakPolarHBondContact CG-O 3.18Å; Y532-W1373 HydrophobicContact CD1-CB 4.33Å; Y532-W1373 HydrophobicContact CE1-CB 4.33Å; W1368-W1373 HydrophobicContact CB-CH2 3.62Å; W1368-W1373 HydrophobicContact CB-CZ3 3.6Å; W1368-W1373 WeakPolarHBondContact O-CH2 3.24Å; N1371-W1373 HydrophobicContact CB-CZ2 4.44Å; N1371-W1373 PolarHBondContact O-N 3.31Å; W1373-Y1407 HydrophobicContact CE3-CD2 4.39Å; W1373-Y1407 HydrophobicContact CE3-CE2 4.15Å; W1373-Y1407 HydrophobicContact CZ3-CD2 4.19Å; W1373-Y1407 HydrophobicContact CZ3-CE2 4.41Å; W1373-L1410 HydrophobicContact CE3-CB 4.43Å; W1373-L1410 HydrophobicContact CH2-CB 3.2Å; W1373-L1410 HydrophobicContact CH2-CD1 3.56Å; W1373-L1410 HydrophobicContact CH2-CG 4Å; W1373-L1410 HydrophobicContact CZ2-CB 3.69Å; W1373-L1410 HydrophobicContact CZ2-CD1 4.13Å; W1373-L1410 HydrophobicContact CZ2-CG 4.46Å; W1373-L1410 HydrophobicContact CZ3-CB 3.6Å; W1373-R1411 HydrophobicContact CE3-CB 4.09Å |
| 1374 | D | 47.9 | Very low | 51 | Low | 19 Ų | 19 | 36.3 Ų | 36.3 | 10% | 0.102 | 19% | 0.192 | C | C | . | . | trans | -118.9 | 113.7 | 170.8 | -86 | 29.6 | 0 | 0 | 0 | 118.7 | K529 Y530 D533 Q1372 | K529-D1374 WeakPolarHBondContact CA-OD1 3.26Å; K529-D1374 HydrophobicContact CB-CB 4.3Å; K529-D1374 WeakPolarHBondContact CB-OD1 3.47Å; K529-D1374 VanDerWaalsContact CE-C 3.49Å; K529-D1374 VanDerWaalsContact CE-CA 3.45Å; Y530-D1374 WeakPolarHBondContact CA-OD2 3.41Å; Y530-D1374 WeakPolarHBondContact CB-OD2 3.29Å; Y530-D1374 HydrophobicContact CD2-CB 3.82Å; Y530-D1374 WeakPolarHBondContact CD2-OD2 3.4Å; Y530-D1374 HydrophobicContact CE2-CB 4.04Å; Y530-D1374 PolarHBondContact N-OD2 3.09Å; D533-D1374 WeakPolarHBondContact CB-OD2 3.46Å; D533-D1374 VanDerWaalsContact CG-OD2 3.24Å; D533-D1374 WeakPolarHBondContact OD2-CB 3.46Å; D533-D1374 VanDerWaalsContact OD2-CG 3.3Å; Q1372-D1374 WeakPolarHBondContact CB-O 3.32Å; Q1372-D1374 PolarHBondContact O-N 2.98Å | ||
| 1375 | N | 39 | Very low | 48.8 | Very low | 27 Ų | 27 | 44.4 Ų | 44.4 | 14% | 0.144 | 22% | 0.223 | C | C | . | . | trans | -135.1 | 148.8 | 164.2 | -75.7 | 67.5 | 0 | 0 | 0 | 106.4 | H526 K529 E1339 Q1372 | H526-N1375 WeakPolarHBondContact CB-O 3.31Å; H526-N1375 WeakPolarHBondContact CD2-CB 3.18Å; H526-N1375 VanDerWaalsContact NE2-CB 3.27Å; H526-N1375 WeakPolarHBondContact NE2-CB 3.35Å; K529-N1375 VanDerWaalsContact CB-O 3.29Å; K529-N1375 WeakPolarHBondContact CB-O 3.47Å; K529-N1375 HydrophobicContact CD-CB 3.97Å; K529-N1375 VanDerWaalsContact CD-N 3.26Å; K529-N1375 WeakPolarHBondContact CD-O 3.5Å; K529-N1375 PolarHBondContact NZ-OD1 2.64Å; E1339-N1375 PolarHBondContact OE1-ND2 3.22Å; Q1372-N1375 WeakPolarHBondContact CB-OD1 3.37Å | ||
| 1376 | K | 37.1 | Very low | 46.4 | Very low | 12 Ų | 12 | 47.7 Ų | 47.7 | 5% | 0.052 | 25% | 0.246 | C | C | . | . | trans | -132.5 | 89.7 | 169.1 | -84.4 | -158.9 | 143.2 | 111.7 | 0 | 113.9 | T460 C463 K464 H526 H527 Y530 N1378 | T460-K1376 HydrophobicContact CG2-CB 3.5Å; T460-K1376 HydrophobicContact CG2-CD 3.54Å; T460-K1376 VanDerWaalsContact CG2-CE 3.48Å; T460-K1376 HydrophobicContact CG2-CG 3.32Å; T460-K1376 WeakPolarHBondContact O-CD 3.28Å; C463-K1376 HydrophobicContact CB-CD 3.51Å; C463-K1376 PolarHBondContact SG-NZ 2.95Å; K464-K1376 WeakPolarHBondContact CE-O 3.38Å; K464-K1376 HydrophobicContact CG-CB 4.28Å; K464-K1376 PolarHBondContact NZ-O 2.59Å; H526-K1376 WeakPolarHBondContact O-CE 3.22Å; H526-K1376 VanDerWaalsContact O-CG 3.3Å; H526-K1376 WeakPolarHBondContact O-CG 3.44Å; H527-K1376 VanDerWaalsContact O-CE 3.31Å; H527-K1376 WeakPolarHBondContact O-CE 3.31Å; H527-K1376 PolarHBondContact O-NZ 3.06Å; Y530-K1376 VanDerWaalsContact CB-NZ 3.27Å; Y530-K1376 HydrophobicContact CD1-CD 3.72Å; Y530-K1376 HydrophobicContact CD1-CG 4.16Å; Y530-K1376 HydrophobicContact CD2-CB 4.15Å; Y530-K1376 HydrophobicContact CD2-CD 3.69Å; Y530-K1376 HydrophobicContact CD2-CG 3.39Å; Y530-K1376 HydrophobicContact CE1-CB 4.16Å; Y530-K1376 HydrophobicContact CE1-CD 4.11Å; Y530-K1376 HydrophobicContact CE1-CG 4.2Å; Y530-K1376 HydrophobicContact CE2-CB 3.66Å; Y530-K1376 HydrophobicContact CE2-CD 4.09Å; Y530-K1376 HydrophobicContact CE2-CG 3.44Å; Y530-K1376 VanDerWaalsContact CE2-CG 3.44Å; Y530-K1376 HydrophobicContact CG-CD 3.48Å; Y530-K1376 VanDerWaalsContact CG-CD 3.48Å; Y530-K1376 HydrophobicContact CG-CG 3.77Å; K1376-N1378 PolarHBondContact O-N 3.04Å | ||
| 1377 | L | 33.4 | Very low | 44.2 | Very low | 36 Ų | 36 | 56 Ų | 56 | 19% | 0.188 | 28% | 0.278 | C | S | . | . | trans | -68.9 | 89.3 | 157.6 | -97.7 | 159.1 | 0 | 0 | 0 | 107.2 | T460 D523 H526 L1343 | T460-L1377 VanDerWaalsContact CB-O 3.29Å; T460-L1377 WeakPolarHBondContact CB-O 3.4Å; T460-L1377 VanDerWaalsContact CG2-O 3.25Å; T460-L1377 WeakPolarHBondContact CG2-O 3.28Å; T460-L1377 VanDerWaalsContact OG1-C 3.25Å; T460-L1377 PolarHBondContact OG1-O 2.72Å; D523-L1377 HydrophobicContact CB-CB 3.96Å; D523-L1377 WeakPolarHBondContact CB-O 3.37Å; D523-L1377 VanDerWaalsContact OD1-CB 3.31Å; D523-L1377 WeakPolarHBondContact OD1-CB 3.49Å; D523-L1377 WeakPolarHBondContact OD1-CD1 3.49Å; D523-L1377 VanDerWaalsContact OD2-CB 3.28Å; D523-L1377 WeakPolarHBondContact OD2-CB 3.2Å; D523-L1377 WeakPolarHBondContact OD2-CD1 3.04Å; H526-L1377 PolarHBondContact CD2-N 3.12Å; L1343-L1377 HydrophobicContact CD2-CD2 4.09Å; L1343-L1377 HydrophobicContact CD2-CG 4.39Å | ||
| 1378 | N | 26.7 | Very low | 42.1 | Very low | 18 Ų | 18 | 57.8 Ų | 57.8 | 10% | 0.096 | 29% | 0.29 | C | S | . | . | -126.3 | 145.9 | 114.4 | -101.7 | -45.3 | 0 | 0 | 0 | 105.5 | K458 T460 K464 K1376 I1380 | K458-N1378 HydrophobicContact CB-CB 3.48Å; K458-N1378 VanDerWaalsContact CB-CB 3.48Å; K458-N1378 VanDerWaalsContact CB-ND2 3.29Å; K458-N1378 WeakPolarHBondContact CB-ND2 3.33Å; K458-N1378 HydrophobicContact CD-CB 4.39Å; T460-N1378 VanDerWaalsContact CB-N 3.3Å; T460-N1378 WeakPolarHBondContact OG1-CB 3.29Å; T460-N1378 PolarHBondContact OG1-N 3.37Å; T460-N1378 PolarHBondContact OG1-ND2 3.48Å; K464-N1378 PolarHBondContact NZ-O 3.45Å; K1376-N1378 PolarHBondContact O-N 3.04Å; N1378-I1380 PolarHBondContact OD1-N 2.67Å; N1378-I1380 PolarHBondContact OD1-O 2.83Å | |||
| 1379 | D | 28.1 | Very low | 40.1 | Very low | 25 Ų | 25 | 61.2 Ų | 61.2 | 13% | 0.134 | 31% | 0.306 | C | S | . | . | -133.2 | 84.3 | 64.5 | -79.5 | -16.2 | 0 | 0 | 0 | 119.5 | K458 N461 | K458-D1379 VanDerWaalsContact CD-C 3.43Å; K458-D1379 VanDerWaalsContact CD-CA 3.41Å; K458-D1379 HydrophobicContact CD-CB 3.56Å; K458-D1379 WeakPolarHBondContact CD-OD1 3.06Å; K458-D1379 VanDerWaalsContact NZ-C 3.29Å; K458-D1379 PolarHBondContact NZ-O 2.84Å; N461-D1379 VanDerWaalsContact CB-OD1 3.25Å; N461-D1379 WeakPolarHBondContact CB-OD1 3.32Å; N461-D1379 VanDerWaalsContact CG-CG 3.44Å; N461-D1379 VanDerWaalsContact CG-OD2 3.31Å; N461-D1379 PolarHBondContact ND2-OD1 3.1Å; N461-D1379 PolarHBondContact ND2-OD2 2.96Å; N461-D1379 PolarHBondContact OD1-OD1 2.91Å | |||
| 1380 | I | 29 | Very low | 38.1 | Very low | 105 Ų | 105 | 61.2 Ų | 61.2 | 54% | 0.538 | 31% | 0.307 | S | S | . | . | trans | -137.3 | 99.9 | 145.2 | -54.1 | 83.5 | 0 | 0 | 0 | 113.6 | N1378 | N1378-I1380 PolarHBondContact OD1-N 2.67Å; N1378-I1380 PolarHBondContact OD1-O 2.83Å | ||
| 1381 | S | 29.9 | Very low | 36.8 | Very low | 37 Ų | 37 | 61.4 Ų | 61.4 | 26% | 0.259 | 31% | 0.308 | S | S | . | . | trans | -140.8 | 96.7 | 139.5 | 70.8 | 0 | 0 | 0 | 0 | 110.1 | S454 K458 | S454-S1381 VanDerWaalsContact O-O 3.13Å; K458-S1381 VanDerWaalsContact CA-OG 3.24Å; K458-S1381 WeakPolarHBondContact CA-OG 3.41Å; K458-S1381 WeakPolarHBondContact CB-OG 3.35Å; K458-S1381 WeakPolarHBondContact CE-O 3.27Å; K458-S1381 WeakPolarHBondContact CG-OG 3.46Å; K458-S1381 PolarHBondContact N-OG 2.93Å | ||
| 1382 | N | 29.6 | Very low | 35.6 | Very low | 56 Ų | 56 | 59.8 Ų | 59.8 | 30% | 0.299 | 30% | 0.3 | S | S | . | . | -165.1 | 104.7 | 122.8 | -82.1 | -3.6 | 0 | 0 | 0 | 105 | S454 | S454-N1382 WeakPolarHBondContact CA-ND2 3.3Å; S454-N1382 VanDerWaalsContact CB-CB 3.46Å; S454-N1382 VanDerWaalsContact CB-CG 3.49Å; S454-N1382 VanDerWaalsContact CB-ND2 3.34Å; S454-N1382 WeakPolarHBondContact CB-ND2 3.37Å | |||
| 1383 | L | 31.7 | Very low | 34.9 | Very low | 169 Ų | 169 | 58.2 Ų | 58.2 | 89% | 0.885 | 29% | 0.294 | S | S | * | . | S | Bend | -165.6 | 64.7 | 118.8 | -100.3 | 164.3 | 0 | 0 | 0 | 108.3 | Y1385 | L1383-Y1385 PolarHBondContact O-N 3.21Š| |
| 1384 | D | 26.3 | Very low | 34.8 | Very low | 76 Ų | 76 | 58.5 Ų | 58.5 | 41% | 0.406 | 30% | 0.298 | S | S | . | . | trans | 19.9 | 97.1 | 135.9 | -62.8 | 21.9 | 0 | 0 | 0 | 115.8 | N518 | N518-D1384 HydrophobicContact CB-CB 4.18Å; N518-D1384 VanDerWaalsContact CG-CB 3.41Å; N518-D1384 VanDerWaalsContact CG-CG 3.4Å; N518-D1384 VanDerWaalsContact ND2-CB 3.35Å; N518-D1384 WeakPolarHBondContact ND2-CB 3.32Å; N518-D1384 PolarHBondContact ND2-OD2 3.37Å; N518-D1384 WeakPolarHBondContact OD1-CA 3.11Å; N518-D1384 WeakPolarHBondContact OD1-CB 3.39Å | ||
| 1385 | Y | 26.2 | Very low | 34.9 | Very low | 179 Ų | 179 | 59.3 Ų | 59.3 | 70% | 0.702 | 30% | 0.303 | S | S | * | . | 167.3 | 116.4 | 118.4 | -86.7 | -64.8 | 0 | 0 | 0 | 111 | N518 L1383 | N518-Y1385 WeakPolarHBondContact OD1-CA 3.32Å; N518-Y1385 VanDerWaalsContact OD1-CD1 3.24Å; N518-Y1385 WeakPolarHBondContact OD1-CD1 3.18Å; L1383-Y1385 PolarHBondContact O-N 3.21Å | |||
| 1386 | S | 25 | Very low | 36 | Very low | 70 Ų | 70 | 59.6 Ų | 59.6 | 49% | 0.49 | 31% | 0.305 | S | S | . | . | S | Bend | trans | 63.5 | 118.9 | -178.3 | 65.9 | 0 | 0 | 0 | 0 | 115.8 | N519 | N519-S1386 VanDerWaalsContact CB-CA 3.45Å; N519-S1386 CarbonylContact O-C 3.25Å; N519-S1386 VanDerWaalsContact O-C 3.25Å |
| 1387 | Y | 27.1 | Very low | 37.5 | Very low | 179 Ų | 179 | 59 Ų | 59 | 70% | 0.702 | 30% | 0.302 | S | S | * | . | cis | -135.5 | 143.7 | 24.7 | -94.9 | -101 | 0 | 0 | 0 | 115.2 | N519 Q520 H1389 | N519-Y1387 CarbonylContact C-O 3.26Å; N519-Y1387 VanDerWaalsContact CB-C 3.46Å; N519-Y1387 CarbonylContact O-C 3.37Å; N519-Y1387 PolarHBondContact O-N 3.44Å; Q520-Y1387 VanDerWaalsContact CA-O 3.3Å; Q520-Y1387 WeakPolarHBondContact CA-O 3.44Å; Q520-Y1387 PolarHBondContact N-O 3.05Å; Y1387-H1389 PolarHBondContact O-N 3.31Å | ||
| 1388 | S | 26.2 | Very low | 39 | Very low | 41 Ų | 41 | 60.3 Ų | 60.3 | 29% | 0.287 | 31% | 0.306 | S | S | . | . | trans | -91 | 104 | 175.8 | 48.6 | 0 | 0 | 0 | 0 | 111.5 | N519 | N519-S1388 VanDerWaalsContact CA-N 3.31Å; N519-S1388 VanDerWaalsContact CG-N 3.31Å; N519-S1388 WeakPolarHBondContact OD1-CA 3.37Å; N519-S1388 WeakPolarHBondContact OD1-CB 3.24Å; N519-S1388 PolarHBondContact OD1-N 2.77Å; N519-S1388 PolarHBondContact OD1-OG 3.28Å | ||
| 1389 | H | 34.1 | Very low | 40.6 | Very low | 73 Ų | 73 | 65.4 Ų | 65.4 | 34% | 0.338 | 33% | 0.334 | S | S | . | . | trans | -131.7 | 106.9 | 150.9 | -91.9 | -67.3 | 0 | 0 | 0 | 110 | I521 S522 S595 F596 Y1387 | I521-H1389 CarbonylContact C-O 3.59Å; I521-H1389 CarbonylContact O-C 3.59Å; S522-H1389 VanDerWaalsContact CA-O 3.3Å; S522-H1389 WeakPolarHBondContact CA-O 3.37Å; S522-H1389 PolarHBondContact N-O 3.36Å; S522-H1389 VanDerWaalsContact N-O 3.14Å; S595-H1389 PolarHBondContact O-CE1 2.96Å; S595-H1389 PolarHBondContact OG-CE1 2.87Å; S595-H1389 PolarHBondContact OG-NE2 3.25Å; F596-H1389 AromaticContact CD2-CE1 3.97Å; F596-H1389 AromaticContact CE2-CE1 3.4Å; F596-H1389 WeakPolarHBondContact CE2-CE1 3.29Å; F596-H1389 AromaticContact CE2-ND1 3.13Å; F596-H1389 WeakPolarHBondContact CE2-ND1 3.42Å; F596-H1389 AromaticContact CZ-CE1 3.6Å; F596-H1389 AromaticContact CZ-ND1 3.29Å; F596-H1389 VanDerWaalsContact CZ-ND1 3.29Å; F596-H1389 WeakPolarHBondContact CZ-ND1 3.48Å; Y1387-H1389 PolarHBondContact O-N 3.31Å | ||
| 1390 | S | 33.5 | Very low | 42.4 | Very low | 11 Ų | 11 | 65.4 Ų | 65.4 | 8% | 0.077 | 34% | 0.335 | C | S | . | . | trans | -27.8 | 134.1 | 138 | 32.1 | 0 | 0 | 0 | 0 | 110.4 | I521 T524 T592 C1392 | I521-S1390 WeakPolarHBondContact O-CA 2.98Å; I521-S1390 PolarHBondContact O-N 2.86Å; T524-S1390 WeakPolarHBondContact OG1-CA 3.34Å; T524-S1390 WeakPolarHBondContact OG1-CB 3.37Å; T592-S1390 PolarHBondContact O-OG 3.11Å; S1390-C1392 PolarHBondContact O-N 2.65Å; S1390-C1392 PolarHBondContact OG-SG 2.9Å | ||
| 1391 | I | 43.4 | Very low | 44.4 | Very low | 52 Ų | 52 | 60.9 Ų | 60.9 | 27% | 0.267 | 32% | 0.315 | S | S | . | . | trans | -72 | 72.2 | 150.4 | -12.2 | -178.2 | 0 | 0 | 0 | 107.4 | I521 S522 T524 R525 | I521-I1391 PolarHBondContact O-N 3.42Å; S522-I1391 WeakPolarHBondContact O-CD1 3.3Å; S522-I1391 WeakPolarHBondContact O-CG1 3.22Å; T524-I1391 PolarHBondContact OG1-N 2.81Å; T524-I1391 PolarHBondContact OG1-O 2.9Å; R525-I1391 HydrophobicContact CB-CB 3.95Å; R525-I1391 HydrophobicContact CB-CD1 3.91Å; R525-I1391 HydrophobicContact CB-CG1 4.13Å; R525-I1391 HydrophobicContact CG-CB 4Å; R525-I1391 HydrophobicContact CG-CD1 4.43Å; R525-I1391 HydrophobicContact CG-CG2 4.45Å; R525-I1391 PolarHBondContact N-O 3.3Å; R525-I1391 VanDerWaalsContact NE-CG2 3.29Å | ||
| 1392 | C | 44.3 | Very low | 46.7 | Very low | 10 Ų | 10 | 60.6 Ų | 60.6 | 7% | 0.068 | 31% | 0.31 | C | S | . | . | trans | -51.3 | 156.5 | 146.4 | -69.6 | 0 | 0 | 0 | 0 | 108.7 | T592 F596 S1390 | T592-C1392 PolarHBondContact O-SG 3.3Å; F596-C1392 HydrophobicContact CD2-CB 3.86Å; F596-C1392 HydrophobicContact CE2-CB 3.36Å; F596-C1392 HydrophobicContact CZ-CB 3.79Å; S1390-C1392 PolarHBondContact O-N 2.65Å; S1390-C1392 PolarHBondContact OG-SG 2.9Å | ||
| 1393 | P | 52.1 | Low | 49 | Very low | 10 Ų | 10 | 59 Ų | 59 | 7% | 0.065 | 30% | 0.301 | C | S | . | . | trans | -44.6 | 142.4 | 146.5 | 24.4 | -34.2 | 0 | 0 | 0 | 109.7 | L606 W1397 W1408 | L606-P1393 HydrophobicContact CB-CG 3.93Å; L606-P1393 HydrophobicContact CD2-CG 4.18Å; L606-P1393 HydrophobicContact CG-CG 4.46Å; P1393-W1397 HydrophobicContact CB-CH2 3.79Å; P1393-W1397 HydrophobicContact CB-CZ2 3.12Å; P1393-W1397 HydrophobicContact CG-CZ2 4.47Å; P1393-W1408 HydrophobicContact CB-CZ2 4.35Å | ||
| 1394 | P | 59.9 | Low | 51.1 | Low | 23 Ų | 23 | 51.6 Ų | 51.6 | 15% | 0.149 | 26% | 0.263 | C | S | . | . | trans | -60 | 163.5 | 178.1 | 32.9 | -41.1 | 0 | 0 | 0 | 111 | N603 D1396 W1397 C1400 | N603-P1394 PolarHBondContact ND2-O 2.93Å; N603-P1394 PolarHBondContact OD1-O 2.72Å; P1394-D1396 VanDerWaalsContact CB-O 3.26Å; P1394-D1396 WeakPolarHBondContact CB-O 3.47Å; P1394-D1396 VanDerWaalsContact CG-O 3.31Å; P1394-D1396 WeakPolarHBondContact CG-O 3.46Å; P1394-W1397 VanDerWaalsContact CD-CE2 3.47Å; P1394-W1397 HydrophobicContact CG-CD2 3.36Å; P1394-W1397 HydrophobicContact CG-CE3 3.74Å; P1394-W1397 HydrophobicContact CG-CG 3.76Å; P1394-W1397 HydrophobicContact CG-CZ2 4.25Å; P1394-W1397 HydrophobicContact CG-CZ3 4.41Å; P1394-W1397 PolarHBondContact O-NE1 3.03Å; P1394-W1397 VanDerWaalsContact O-NE1 3.11Å; P1394-C1400 HydrophobicContact CG-CB 4.09Å | ||
| 1395 | T | 50.6 | Low | 53.7 | Low | 37 Ų | 37 | 48 Ų | 48 | 23% | 0.227 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -55.9 | -68.4 | 157.8 | 15.1 | 0 | 0 | 0 | 0 | 107.8 | F596 D597 S598 D599 T600 N603 | F596-T1395 VanDerWaalsContact C-CG2 3.48Å; F596-T1395 HydrophobicContact CB-CG2 3.9Å; F596-T1395 HydrophobicContact CD1-CG2 3.75Å; F596-T1395 HydrophobicContact CG-CG2 4.33Å; D597-T1395 WeakPolarHBondContact O-CG2 3.26Å; S598-T1395 WeakPolarHBondContact O-CB 3.08Å; S598-T1395 WeakPolarHBondContact O-CG2 3.22Å; D599-T1395 CarbonylContact O-C 2.97Å; T600-T1395 CarbonylContact C-O 3.57Å; N603-T1395 PolarHBondContact ND2-O 3.47Å |
| 1396 | D | 62.2 | Low | 56.5 | Low | 32 Ų | 32 | 39.5 Ų | 39.5 | 17% | 0.171 | 21% | 0.21 | C | C | . | . | trans | -98.7 | 129.3 | -175.7 | -156.3 | -36.6 | 0 | 0 | 0 | 111.2 | D599 T600 P1394 K1398 D1399 | D599-D1396 WeakPolarHBondContact O-CA 3.47Å; D599-D1396 WeakPolarHBondContact O-CB 3.17Å; D599-D1396 PolarHBondContact O-N 2.93Å; T600-D1396 WeakPolarHBondContact CB-OD1 3.49Å; T600-D1396 VanDerWaalsContact CG2-OD1 3.23Å; T600-D1396 WeakPolarHBondContact CG2-OD1 3.27Å; T600-D1396 WeakPolarHBondContact CG2-OD2 3.23Å; T600-D1396 WeakPolarHBondContact OG1-CA 3.47Å; T600-D1396 VanDerWaalsContact OG1-CG 3.29Å; T600-D1396 PolarHBondContact OG1-OD1 3.19Å; P1394-D1396 VanDerWaalsContact CB-O 3.26Å; P1394-D1396 WeakPolarHBondContact CB-O 3.47Å; P1394-D1396 VanDerWaalsContact CG-O 3.31Å; P1394-D1396 WeakPolarHBondContact CG-O 3.46Å; D1396-K1398 WeakPolarHBondContact OD1-CA 3.21Å; D1396-K1398 WeakPolarHBondContact OD1-CB 3.47Å; D1396-K1398 PolarHBondContact OD1-N 3.2Å; D1396-D1399 HydrophobicContact CB-CB 4.5Å; D1396-D1399 WeakPolarHBondContact O-CB 3.15Å; D1396-D1399 PolarHBondContact O-N 2.85Å | ||
| 1397 | W | 69.1 | Low | 59.2 | Low | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -95.1 | -4.9 | 178.9 | -64.2 | 79.4 | 0 | 0 | 0 | 113.9 | T600 D602 N603 P1393 P1394 C1400 W1408 I1424 Q1428 | T600-W1397 PolarHBondContact OG1-N 2.89Å; D602-W1397 HydrophobicContact CB-CB 3.95Å; D602-W1397 HydrophobicContact CB-CD2 3.27Å; D602-W1397 HydrophobicContact CB-CE3 3.5Å; D602-W1397 VanDerWaalsContact CB-CE3 3.5Å; D602-W1397 HydrophobicContact CB-CG 3.5Å; D602-W1397 VanDerWaalsContact CB-CG 3.5Å; D602-W1397 HydrophobicContact CB-CH2 3.97Å; D602-W1397 HydrophobicContact CB-CZ2 3.9Å; D602-W1397 HydrophobicContact CB-CZ3 3.8Å; D602-W1397 VanDerWaalsContact CG-CD2 3.45Å; D602-W1397 VanDerWaalsContact CG-CG 3.47Å; D602-W1397 VanDerWaalsContact N-CD1 3.26Å; D602-W1397 VanDerWaalsContact N-CG 3.26Å; D602-W1397 WeakPolarHBondContact O-CZ2 3.35Å; D602-W1397 PolarHBondContact O-NE1 3.37Å; D602-W1397 WeakPolarHBondContact OD1-CB 3.18Å; D602-W1397 WeakPolarHBondContact OD2-CZ3 3.46Å; N603-W1397 PolarHBondContact ND2-NE1 3.44Å; N603-W1397 PolarHBondContact OD1-NE1 3.14Å; N603-W1397 VanDerWaalsContact OD1-NE1 3.11Å; P1393-W1397 HydrophobicContact CB-CH2 3.79Å; P1393-W1397 HydrophobicContact CB-CZ2 3.12Å; P1393-W1397 HydrophobicContact CG-CZ2 4.47Å; P1394-W1397 VanDerWaalsContact CD-CE2 3.47Å; P1394-W1397 HydrophobicContact CG-CD2 3.36Å; P1394-W1397 HydrophobicContact CG-CE3 3.74Å; P1394-W1397 HydrophobicContact CG-CG 3.76Å; P1394-W1397 HydrophobicContact CG-CZ2 4.25Å; P1394-W1397 HydrophobicContact CG-CZ3 4.41Å; P1394-W1397 PolarHBondContact O-NE1 3.03Å; P1394-W1397 VanDerWaalsContact O-NE1 3.11Å; W1397-C1400 HydrophobicContact CE3-CB 3.87Å; W1397-C1400 PolarHBondContact O-N 3.29Å; W1397-W1408 HydrophobicContact CH2-CB 4.07Å; W1397-W1408 AromaticContact CH2-CD1 3.19Å; W1397-W1408 HydrophobicContact CH2-CD2 4.36Å; W1397-W1408 AromaticContact CH2-CG 3.66Å; W1397-W1408 HydrophobicContact CH2-CG 3.66Å; W1397-W1408 AromaticContact CH2-NE1 3.45Å; W1397-W1408 HydrophobicContact CZ3-CB 4.39Å; W1397-W1408 AromaticContact CZ3-CD1 3.3Å; W1397-W1408 HydrophobicContact CZ3-CG 4.07Å; W1397-W1408 AromaticContact CZ3-NE1 3.79Å; W1397-I1424 HydrophobicContact CH2-CD1 4.41Å; W1397-I1424 HydrophobicContact CZ3-CD1 4.49Å; W1397-Q1428 PolarHBondContact O-NE2 3.42Å |
| 1398 | K | 64.3 | Low | 61.6 | Low | 63 Ų | 63 | 27.9 Ų | 27.9 | 27% | 0.274 | 15% | 0.154 | S | C | . | . | S | Bend | trans | -69.9 | -23.1 | 158.7 | -61.8 | 169.7 | -176.4 | 174.1 | 0 | 110.7 | T600 D1396 E1430 C1431 | T600-K1398 HydrophobicContact CG2-CD 3.8Å; T600-K1398 HydrophobicContact CG2-CG 4.3Å; D1396-K1398 WeakPolarHBondContact OD1-CA 3.21Å; D1396-K1398 WeakPolarHBondContact OD1-CB 3.47Å; D1396-K1398 PolarHBondContact OD1-N 3.2Å; K1398-E1430 WeakPolarHBondContact CE-OE2 3.47Å; K1398-E1430 IonicContact NZ-OE2 3.96Å; K1398-E1430 PolarHBondContact NZ-OE2 3.09Å; K1398-C1431 WeakPolarHBondContact CG-SG 3.44Å |
| 1399 | D | 60.5 | Low | 64.4 | Low | 126 Ų | 126 | 26 Ų | 26 | 67% | 0.674 | 14% | 0.141 | S | C | * | . | S | Bend | trans | -85.2 | -4 | 168.9 | -71.5 | -17.8 | 0 | 0 | 0 | 113.9 | D1396 | D1396-D1399 HydrophobicContact CB-CB 4.5Å; D1396-D1399 WeakPolarHBondContact O-CB 3.15Å; D1396-D1399 PolarHBondContact O-N 2.85Å |
| 1400 | C | 65.6 | Low | 66.6 | Low | 24 Ų | 24 | 22.5 Ų | 22.5 | 16% | 0.162 | 13% | 0.125 | C | C | . | . | S | Bend | trans | -97.5 | 139.6 | 177.4 | -118.8 | 0 | 0 | 0 | 0 | 112.9 | P1394 W1397 | P1394-C1400 HydrophobicContact CG-CB 4.09Å; W1397-C1400 HydrophobicContact CE3-CB 3.87Å; W1397-C1400 PolarHBondContact O-N 3.29Å |
| 1401 | G | 69.9 | Low | 68.7 | Low | 11 Ų | 11 | 22.1 Ų | 22.1 | 11% | 0.113 | 12% | 0.122 | C | C | . | . | trans | -69.6 | 153.3 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | E1361 E1403 T1404 S1405 | E1361-G1401 WeakPolarHBondContact OE1-CA 3.42Å; G1401-E1403 PolarHBondContact O-N 3.07Å; G1401-T1404 VanDerWaalsContact C-OG1 3.27Å; G1401-T1404 WeakPolarHBondContact CA-OG1 3.46Å; G1401-T1404 PolarHBondContact N-OG1 3.12Å; G1401-T1404 WeakPolarHBondContact O-CA 3.34Å; G1401-T1404 WeakPolarHBondContact O-CB 3.44Å; G1401-T1404 PolarHBondContact O-N 2.92Å; G1401-T1404 PolarHBondContact O-OG1 3.07Å; G1401-S1405 PolarHBondContact O-N 2.71Å; G1401-S1405 VanDerWaalsContact O-N 3.15Å | ||
| 1402 | L | 78.7 | Confident | 70.4 | Confident | 31 Ų | 31 | 19.6 Ų | 19.6 | 16% | 0.162 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -60.4 | -43.3 | -172.2 | -179.8 | 60.1 | 0 | 0 | 0 | 113 | E1361 T1404 S1405 F1406 F1432 F1515 | E1361-L1402 PolarHBondContact OE1-N 3.26Å; L1402-T1404 PolarHBondContact O-N 2.92Å; L1402-S1405 PolarHBondContact O-N 2.66Å; L1402-F1406 HydrophobicContact CD1-CD1 4.19Å; L1402-F1406 HydrophobicContact CD1-CD2 4.49Å; L1402-F1406 HydrophobicContact CD1-CE1 3.52Å; L1402-F1406 HydrophobicContact CD1-CE2 3.86Å; L1402-F1406 HydrophobicContact CD1-CZ 3.34Å; L1402-F1406 HydrophobicContact CD2-CE2 4.1Å; L1402-F1406 HydrophobicContact CD2-CZ 4.21Å; L1402-F1406 HydrophobicContact CG-CD2 4.25Å; L1402-F1406 HydrophobicContact CG-CE1 4.28Å; L1402-F1406 HydrophobicContact CG-CE2 3.72Å; L1402-F1406 HydrophobicContact CG-CZ 3.76Å; L1402-F1406 WeakPolarHBondContact O-CG 3.5Å; L1402-F1406 PolarHBondContact O-N 3.31Å; L1402-F1432 HydrophobicContact CD1-CE2 4.25Å; L1402-F1432 HydrophobicContact CD1-CZ 3.6Å; L1402-F1432 HydrophobicContact CD2-CZ 3.97Å; L1402-F1432 HydrophobicContact CG-CZ 4.36Å; L1402-F1515 HydrophobicContact CD1-CZ 4.18Å; L1402-F1515 HydrophobicContact CD2-CE2 3.74Å; L1402-F1515 HydrophobicContact CD2-CZ 3.82Å |
| 1403 | E | 79 | Confident | 71.9 | Confident | 23 Ų | 23 | 19.1 Ų | 19.1 | 11% | 0.107 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -66 | -29.3 | 179 | -66.1 | -78.7 | -172.6 | 0 | 0 | 111.4 | S1364 A1365 W1368 R1369 G1401 Y1407 | S1364-E1403 WeakPolarHBondContact OG-CB 3.41Å; S1364-E1403 PolarHBondContact OG-O 2.86Å; A1365-E1403 WeakPolarHBondContact CA-OE2 3.37Å; A1365-E1403 HydrophobicContact CB-CB 3.85Å; A1365-E1403 HydrophobicContact CB-CG 3.77Å; A1365-E1403 WeakPolarHBondContact CB-OE2 3.28Å; W1368-E1403 PolarHBondContact NE1-OE2 3.34Å; R1369-E1403 IonicContact CZ-OE1 3.56Å; R1369-E1403 IonicContact CZ-OE2 2.71Å; R1369-E1403 VanDerWaalsContact NH1-CD 3.33Å; R1369-E1403 IonicContact NH1-OE1 3.45Å; R1369-E1403 PolarHBondContact NH1-OE1 2.83Å; R1369-E1403 IonicContact NH1-OE2 2.67Å; R1369-E1403 PolarHBondContact NH1-OE2 3.4Å; R1369-E1403 IonicContact NH2-OE1 3.95Å; R1369-E1403 PolarHBondContact NH2-OE1 3.1Å; R1369-E1403 IonicContact NH2-OE2 3.66Å; G1401-E1403 PolarHBondContact O-N 3.07Å; E1403-Y1407 PolarHBondContact O-N 3.27Å; E1403-Y1407 VanDerWaalsContact O-N 3.15Å |
| 1404 | T | 75.2 | Confident | 73 | Confident | 13 Ų | 13 | 19.4 Ų | 19.4 | 8% | 0.08 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -72.6 | -35.5 | 174.6 | 19.2 | 0 | 0 | 0 | 0 | 112.8 | S1364 G1401 L1402 | S1364-T1404 WeakPolarHBondContact OG-CA 3.44Å; S1364-T1404 WeakPolarHBondContact OG-CG2 3.45Å; S1364-T1404 PolarHBondContact OG-N 2.98Å; S1364-T1404 VanDerWaalsContact OG-N 3.09Å; G1401-T1404 VanDerWaalsContact C-OG1 3.27Å; G1401-T1404 WeakPolarHBondContact CA-OG1 3.46Å; G1401-T1404 PolarHBondContact N-OG1 3.12Å; G1401-T1404 WeakPolarHBondContact O-CA 3.34Å; G1401-T1404 WeakPolarHBondContact O-CB 3.44Å; G1401-T1404 PolarHBondContact O-N 2.92Å; G1401-T1404 PolarHBondContact O-OG1 3.07Å; L1402-T1404 PolarHBondContact O-N 2.92Å |
| 1405 | S | 80.9 | Confident | 73.7 | Confident | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -70.9 | -39 | 173.8 | -67.8 | 0 | 0 | 0 | 0 | 112.5 | D602 G1401 L1402 Y1407 W1408 L1409 Q1428 | D602-S1405 WeakPolarHBondContact OD2-CB 3.42Å; D602-S1405 PolarHBondContact OD2-OG 2.98Å; G1401-S1405 PolarHBondContact O-N 2.71Å; G1401-S1405 VanDerWaalsContact O-N 3.15Å; L1402-S1405 PolarHBondContact O-N 2.66Å; S1405-Y1407 VanDerWaalsContact C-N 3.35Å; S1405-Y1407 PolarHBondContact O-N 2.87Å; S1405-W1408 PolarHBondContact O-N 3.29Å; S1405-W1408 VanDerWaalsContact O-N 3.07Å; S1405-L1409 PolarHBondContact O-N 3.07Å; S1405-Q1428 PolarHBondContact OG-NE2 3.14Å |
| 1406 | F | 85.2 | Confident | 74.7 | Confident | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -66.5 | -34.3 | 175.7 | -67.3 | -10.9 | 0 | 0 | 0 | 113.9 | W1368 L1402 W1408 L1410 P1514 F1515 L1518 | W1368-F1406 HydrophobicContact CZ2-CD2 4.29Å; L1402-F1406 HydrophobicContact CD1-CD1 4.19Å; L1402-F1406 HydrophobicContact CD1-CD2 4.49Å; L1402-F1406 HydrophobicContact CD1-CE1 3.52Å; L1402-F1406 HydrophobicContact CD1-CE2 3.86Å; L1402-F1406 HydrophobicContact CD1-CZ 3.34Å; L1402-F1406 HydrophobicContact CD2-CE2 4.1Å; L1402-F1406 HydrophobicContact CD2-CZ 4.21Å; L1402-F1406 HydrophobicContact CG-CD2 4.25Å; L1402-F1406 HydrophobicContact CG-CE1 4.28Å; L1402-F1406 HydrophobicContact CG-CE2 3.72Å; L1402-F1406 HydrophobicContact CG-CZ 3.76Å; L1402-F1406 WeakPolarHBondContact O-CG 3.5Å; L1402-F1406 PolarHBondContact O-N 3.31Å; F1406-W1408 PolarHBondContact O-N 3.34Å; F1406-L1410 PolarHBondContact O-N 2.99Å; F1406-P1514 HydrophobicContact CD2-CB 4.01Å; F1406-P1514 HydrophobicContact CE2-CB 3.66Å; F1406-F1515 HydrophobicContact CE1-CE1 4.38Å; F1406-F1515 HydrophobicContact CE2-CD2 4.18Å; F1406-F1515 HydrophobicContact CE2-CE1 4.46Å; F1406-F1515 HydrophobicContact CE2-CE2 4.03Å; F1406-F1515 HydrophobicContact CE2-CG 4.41Å; F1406-F1515 HydrophobicContact CE2-CZ 4.16Å; F1406-F1515 AromaticContact CZ-CD1 3.88Å; F1406-F1515 HydrophobicContact CZ-CD1 3.88Å; F1406-F1515 HydrophobicContact CZ-CD2 4.18Å; F1406-F1515 AromaticContact CZ-CE1 3.56Å; F1406-F1515 HydrophobicContact CZ-CE1 3.56Å; F1406-F1515 AromaticContact CZ-CE2 3.86Å; F1406-F1515 HydrophobicContact CZ-CE2 3.86Å; F1406-F1515 HydrophobicContact CZ-CG 4.16Å; F1406-F1515 AromaticContact CZ-CZ 3.52Å; F1406-F1515 HydrophobicContact CZ-CZ 3.52Å; F1406-L1518 HydrophobicContact CB-CD2 4.32Å; F1406-L1518 HydrophobicContact CD1-CD2 3.43Å; F1406-L1518 VanDerWaalsContact CD1-CD2 3.43Å; F1406-L1518 HydrophobicContact CD2-CD2 3.89Å; F1406-L1518 HydrophobicContact CE1-CD2 3.46Å; F1406-L1518 VanDerWaalsContact CE1-CD2 3.46Å; F1406-L1518 HydrophobicContact CE2-CD2 3.92Å; F1406-L1518 HydrophobicContact CG-CD2 3.63Å; F1406-L1518 HydrophobicContact CZ-CD2 3.69Å |
| 1407 | Y | 81 | Confident | 75.5 | Confident | 4 Ų | 4 | 19.6 Ų | 19.6 | 2% | 0.016 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -57.9 | -37.6 | 169.9 | 166.2 | -89.5 | 0 | 0 | 0 | 112.1 | R525 K529 A1367 W1368 W1373 E1403 S1405 R1411 | R525-Y1407 HydrophobicContact CG-CE1 4.32Å; K529-Y1407 WeakPolarHBondContact CD-OH 3.38Å; K529-Y1407 WeakPolarHBondContact CE-OH 3.26Å; A1367-Y1407 HydrophobicContact CB-CD2 4.28Å; W1368-Y1407 HydrophobicContact CB-CD2 4.11Å; W1373-Y1407 HydrophobicContact CE3-CD2 4.39Å; W1373-Y1407 HydrophobicContact CE3-CE2 4.15Å; W1373-Y1407 HydrophobicContact CZ3-CD2 4.19Å; W1373-Y1407 HydrophobicContact CZ3-CE2 4.41Å; E1403-Y1407 PolarHBondContact O-N 3.27Å; E1403-Y1407 VanDerWaalsContact O-N 3.15Å; S1405-Y1407 VanDerWaalsContact C-N 3.35Å; S1405-Y1407 PolarHBondContact O-N 2.87Å; Y1407-R1411 WeakPolarHBondContact O-CB 3.41Å; Y1407-R1411 PolarHBondContact O-N 2.89Å; Y1407-R1411 PolarHBondContact OH-NH1 3.29Å |
| 1408 | W | 77.4 | Confident | 76 | Confident | 2 Ų | 2 | 20.6 Ų | 20.6 | 1% | 0.008 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -75.2 | -51.1 | 177.1 | -72.5 | 118.8 | 0 | 0 | 0 | 112.3 | R525 E605 L606 P1393 W1397 S1405 F1406 L1410 R1411 A1412 I1424 | R525-W1408 HydrophobicContact CB-CH2 4.47Å; R525-W1408 HydrophobicContact CG-CH2 3.26Å; R525-W1408 HydrophobicContact CG-CZ2 3.23Å; R525-W1408 HydrophobicContact CG-CZ3 4.21Å; R525-W1408 VanDerWaalsContact NE-CZ2 3.29Å; R525-W1408 VanDerWaalsContact NH2-NE1 3.16Å; E605-W1408 VanDerWaalsContact OE1-O 3.12Å; L606-W1408 HydrophobicContact CD1-CE3 4.24Å; L606-W1408 HydrophobicContact CD1-CH2 3.22Å; L606-W1408 HydrophobicContact CD1-CZ2 4.26Å; L606-W1408 HydrophobicContact CD1-CZ3 3.21Å; P1393-W1408 HydrophobicContact CB-CZ2 4.35Å; W1397-W1408 HydrophobicContact CH2-CB 4.07Å; W1397-W1408 AromaticContact CH2-CD1 3.19Å; W1397-W1408 HydrophobicContact CH2-CD2 4.36Å; W1397-W1408 AromaticContact CH2-CG 3.66Å; W1397-W1408 HydrophobicContact CH2-CG 3.66Å; W1397-W1408 AromaticContact CH2-NE1 3.45Å; W1397-W1408 HydrophobicContact CZ3-CB 4.39Å; W1397-W1408 AromaticContact CZ3-CD1 3.3Å; W1397-W1408 HydrophobicContact CZ3-CG 4.07Å; W1397-W1408 AromaticContact CZ3-NE1 3.79Å; S1405-W1408 PolarHBondContact O-N 3.29Å; S1405-W1408 VanDerWaalsContact O-N 3.07Å; F1406-W1408 PolarHBondContact O-N 3.34Å; W1408-L1410 VanDerWaalsContact C-N 3.26Å; W1408-L1410 PolarHBondContact O-N 3.5Å; W1408-L1410 VanDerWaalsContact O-N 3.12Å; W1408-R1411 WeakPolarHBondContact O-CA 3.26Å; W1408-R1411 WeakPolarHBondContact O-CB 3.46Å; W1408-R1411 PolarHBondContact O-N 3.47Å; W1408-A1412 PolarHBondContact O-N 2.89Å; W1408-A1412 VanDerWaalsContact O-N 3.14Å; W1408-I1424 HydrophobicContact CB-CD1 3.68Å |
| 1409 | L | 85.1 | Confident | 76.5 | Confident | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -51 | -44 | -176.6 | -159.2 | 165.6 | 0 | 0 | 0 | 112.5 | E605 S1405 A1413 V1421 I1424 L1462 L1518 F1522 | E605-L1409 WeakPolarHBondContact OE1-CA 3.32Å; S1405-L1409 PolarHBondContact O-N 3.07Å; L1409-A1413 WeakPolarHBondContact O-CB 3.42Å; L1409-A1413 PolarHBondContact O-N 2.89Å; L1409-V1421 HydrophobicContact CD2-CG1 4.06Å; L1409-V1421 HydrophobicContact CD2-CG2 4.25Å; L1409-I1424 HydrophobicContact CB-CB 4.48Å; L1409-I1424 HydrophobicContact CB-CD1 4.08Å; L1409-I1424 HydrophobicContact CB-CG1 4.32Å; L1409-I1424 HydrophobicContact CB-CG2 4.17Å; L1409-I1424 HydrophobicContact CD1-CB 4.06Å; L1409-I1424 HydrophobicContact CD1-CG2 3.73Å; L1409-I1424 HydrophobicContact CG-CB 4.24Å; L1409-I1424 HydrophobicContact CG-CG1 4.38Å; L1409-I1424 HydrophobicContact CG-CG2 4.21Å; L1409-L1462 HydrophobicContact CD1-CD1 3.66Å; L1409-L1462 HydrophobicContact CD2-CD1 3.97Å; L1409-L1462 HydrophobicContact CG-CD1 4.5Å; L1409-L1518 HydrophobicContact CD2-CD1 4.48Å; L1409-F1522 HydrophobicContact CD2-CD2 3.67Å; L1409-F1522 HydrophobicContact CD2-CE2 3.69Å |
| 1410 | L | 80.9 | Confident | 77.3 | Confident | 0 Ų | 0 | 13.8 Ų | 13.8 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -73.3 | -34.1 | 176.1 | -75.2 | 169.3 | 0 | 0 | 0 | 113.3 | W1368 W1373 F1406 W1408 A1412 S1414 L1518 K1521 F1522 I1525 | W1368-L1410 HydrophobicContact CD2-CD1 4.2Å; W1368-L1410 HydrophobicContact CE3-CD1 3.37Å; W1368-L1410 HydrophobicContact CZ3-CD1 3.81Å; W1373-L1410 HydrophobicContact CE3-CB 4.43Å; W1373-L1410 HydrophobicContact CH2-CB 3.2Å; W1373-L1410 HydrophobicContact CH2-CD1 3.56Å; W1373-L1410 HydrophobicContact CH2-CG 4Å; W1373-L1410 HydrophobicContact CZ2-CB 3.69Å; W1373-L1410 HydrophobicContact CZ2-CD1 4.13Å; W1373-L1410 HydrophobicContact CZ2-CG 4.46Å; W1373-L1410 HydrophobicContact CZ3-CB 3.6Å; F1406-L1410 PolarHBondContact O-N 2.99Å; W1408-L1410 VanDerWaalsContact C-N 3.26Å; W1408-L1410 PolarHBondContact O-N 3.5Å; W1408-L1410 VanDerWaalsContact O-N 3.12Å; L1410-A1412 VanDerWaalsContact C-N 3.35Å; L1410-A1412 PolarHBondContact O-N 3.42Å; L1410-S1414 WeakPolarHBondContact O-CB 3.49Å; L1410-S1414 PolarHBondContact O-N 3.21Å; L1410-S1414 PolarHBondContact O-OG 2.94Å; L1410-L1518 HydrophobicContact CD1-CD1 3.51Å; L1410-L1518 HydrophobicContact CD2-CD1 3.79Å; L1410-L1518 HydrophobicContact CG-CD1 3.35Å; L1410-K1521 HydrophobicContact CD1-CB 3.83Å; L1410-K1521 HydrophobicContact CD1-CG 4.46Å; L1410-K1521 HydrophobicContact CD2-CB 3.66Å; L1410-K1521 HydrophobicContact CG-CB 4.43Å; L1410-F1522 HydrophobicContact CD2-CB 3.93Å; L1410-F1522 HydrophobicContact CD2-CD2 4.47Å; L1410-I1525 HydrophobicContact CB-CD1 4.37Å; L1410-I1525 HydrophobicContact CD2-CD1 3.77Å |
| 1411 | R | 78 | Confident | 78 | Confident | 3 Ų | 3 | 12.6 Ų | 12.6 | 1% | 0.011 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -57.7 | -48.6 | 178.5 | -167.5 | -166.6 | -171.7 | 145.4 | 11 | 110.2 | R525 L528 K529 W1373 Y1407 W1408 S1414 Q1415 | R525-R1411 PolarHBondContact O-NH1 3.36Å; R525-R1411 PolarHBondContact O-NH2 3.48Å; R525-R1411 VanDerWaalsContact O-NH2 3.13Å; L528-R1411 PolarHBondContact O-NH2 3.4Å; K529-R1411 VanDerWaalsContact N-NH2 3.17Å; W1373-R1411 HydrophobicContact CE3-CB 4.09Å; Y1407-R1411 WeakPolarHBondContact O-CB 3.41Å; Y1407-R1411 PolarHBondContact O-N 2.89Å; Y1407-R1411 PolarHBondContact OH-NH1 3.29Å; W1408-R1411 WeakPolarHBondContact O-CA 3.26Å; W1408-R1411 WeakPolarHBondContact O-CB 3.46Å; W1408-R1411 PolarHBondContact O-N 3.47Å; R1411-S1414 WeakPolarHBondContact O-CB 3.24Å; R1411-S1414 PolarHBondContact O-N 3.32Å; R1411-S1414 PolarHBondContact O-OG 3.23Å; R1411-Q1415 WeakPolarHBondContact O-CG 3.37Å; R1411-Q1415 PolarHBondContact O-N 2.96Å; R1411-Q1415 PolarHBondContact O-OE1 3.17Å |
| 1412 | A | 78.3 | Confident | 78.5 | Confident | 0 Ų | 0 | 12.6 Ų | 12.6 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -100 | -13.3 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | E605 V609 W1408 L1410 S1414 Q1415 S1416 D1417 | E605-A1412 HydrophobicContact CB-CB 3.29Å; E605-A1412 HydrophobicContact CG-CB 3.34Å; E605-A1412 WeakPolarHBondContact OE1-CA 3.38Å; E605-A1412 WeakPolarHBondContact OE1-CB 3.3Å; E605-A1412 PolarHBondContact OE1-N 2.93Å; V609-A1412 HydrophobicContact CG2-CB 4.05Å; W1408-A1412 PolarHBondContact O-N 2.89Å; W1408-A1412 VanDerWaalsContact O-N 3.14Å; L1410-A1412 VanDerWaalsContact C-N 3.35Å; L1410-A1412 PolarHBondContact O-N 3.42Å; A1412-S1414 PolarHBondContact O-N 2.84Å; A1412-Q1415 VanDerWaalsContact CA-OE1 3.26Å; A1412-Q1415 HydrophobicContact CB-CB 3.99Å; A1412-Q1415 HydrophobicContact CB-CG 4.48Å; A1412-Q1415 CarbonylContact O-C 3.56Å; A1412-Q1415 WeakPolarHBondContact O-CA 3.17Å; A1412-Q1415 PolarHBondContact O-N 3.46Å; A1412-S1416 PolarHBondContact O-N 3.36Å; A1412-D1417 HydrophobicContact CB-CB 3.63Å; A1412-D1417 PolarHBondContact O-N 3.15Å |
| 1413 | A | 75.7 | Confident | 78.6 | Confident | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -50.3 | -40 | 149 | 0 | 0 | 0 | 0 | 0 | 110.7 | L1409 S1416 W1418 V1421 F1522 I1525 K1529 | L1409-A1413 WeakPolarHBondContact O-CB 3.42Å; L1409-A1413 PolarHBondContact O-N 2.89Å; A1413-S1416 PolarHBondContact O-N 2.97Å; A1413-W1418 HydrophobicContact CB-CH2 4.44Å; A1413-W1418 HydrophobicContact CB-CZ3 3.94Å; A1413-V1421 HydrophobicContact CB-CG2 4.14Å; A1413-F1522 HydrophobicContact CB-CD2 3.58Å; A1413-F1522 HydrophobicContact CB-CE2 3.49Å; A1413-F1522 VanDerWaalsContact CB-CE2 3.49Å; A1413-I1525 HydrophobicContact CB-CG2 4.4Å; A1413-I1525 VanDerWaalsContact O-CG2 3.32Å; A1413-I1525 WeakPolarHBondContact O-CG2 3.39Å; A1413-K1529 PolarHBondContact O-NZ 2.72Å |
| 1414 | S | 75.8 | Confident | 78.7 | Confident | 16 Ų | 16 | 13 Ų | 13 | 11% | 0.112 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -73.9 | -22.4 | 172.6 | 79.8 | 0 | 0 | 0 | 0 | 114 | Y532 L1410 R1411 A1412 I1525 K1529 | Y532-S1414 WeakPolarHBondContact OH-CB 3.42Å; Y532-S1414 PolarHBondContact OH-O 2.79Å; Y532-S1414 PolarHBondContact OH-OG 2.89Å; L1410-S1414 WeakPolarHBondContact O-CB 3.49Å; L1410-S1414 PolarHBondContact O-N 3.21Å; L1410-S1414 PolarHBondContact O-OG 2.94Å; R1411-S1414 WeakPolarHBondContact O-CB 3.24Å; R1411-S1414 PolarHBondContact O-N 3.32Å; R1411-S1414 PolarHBondContact O-OG 3.23Å; A1412-S1414 PolarHBondContact O-N 2.84Å; S1414-I1525 VanDerWaalsContact CA-CG2 3.49Å; S1414-K1529 WeakPolarHBondContact O-CE 3.38Å; S1414-K1529 PolarHBondContact O-NZ 3.45Å |
| 1415 | Q | 73.7 | Confident | 79 | Confident | 28 Ų | 28 | 12.4 Ų | 12.4 | 13% | 0.131 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -85.6 | -2.6 | 172.4 | -62.6 | 154.8 | -48.2 | 0 | 0 | 114.9 | Y532 V609 R1411 A1412 D1417 | Y532-Q1415 HydrophobicContact CD2-CG 3.73Å; Y532-Q1415 HydrophobicContact CE1-CG 4.32Å; Y532-Q1415 HydrophobicContact CE2-CB 4.4Å; Y532-Q1415 HydrophobicContact CE2-CG 3.22Å; Y532-Q1415 HydrophobicContact CG-CG 4.48Å; V609-Q1415 HydrophobicContact CG2-CB 3.72Å; V609-Q1415 VanDerWaalsContact CG2-CD 3.46Å; V609-Q1415 HydrophobicContact CG2-CG 4.03Å; R1411-Q1415 WeakPolarHBondContact O-CG 3.37Å; R1411-Q1415 PolarHBondContact O-N 2.96Å; R1411-Q1415 PolarHBondContact O-OE1 3.17Å; A1412-Q1415 VanDerWaalsContact CA-OE1 3.26Å; A1412-Q1415 HydrophobicContact CB-CB 3.99Å; A1412-Q1415 HydrophobicContact CB-CG 4.48Å; A1412-Q1415 CarbonylContact O-C 3.56Å; A1412-Q1415 WeakPolarHBondContact O-CA 3.17Å; A1412-Q1415 PolarHBondContact O-N 3.46Å; Q1415-D1417 VanDerWaalsContact C-N 3.32Å; Q1415-D1417 HydrophobicContact CB-CB 4.49Å |
| 1416 | S | 73.3 | Confident | 79.1 | Confident | 58 Ų | 58 | 14.9 Ų | 14.9 | 41% | 0.406 | 9% | 0.086 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 71.1 | 26.3 | -175.8 | -66.7 | 0 | 0 | 0 | 0 | 113.6 | A1412 A1413 W1418 K1529 | A1412-S1416 PolarHBondContact O-N 3.36Å; A1413-S1416 PolarHBondContact O-N 2.97Å; S1416-W1418 VanDerWaalsContact O-CD1 3.31Å; S1416-W1418 PolarHBondContact O-N 3.01Å; S1416-W1418 PolarHBondContact O-NE1 3.02Å; S1416-K1529 VanDerWaalsContact CA-NZ 3.32Å; S1416-K1529 WeakPolarHBondContact OG-CE 3.39Å; S1416-K1529 PolarHBondContact OG-NZ 3.11Å |
| 1417 | D | 77.9 | Confident | 78.8 | Confident | 10 Ų | 10 | 15 Ų | 15 | 5% | 0.053 | 9% | 0.087 | C | C | . | . | trans | -102.7 | 89.9 | -170.3 | -167.9 | -37.9 | 0 | 0 | 0 | 109.5 | E605 L608 V609 A1412 Q1415 V1421 | E605-D1417 VanDerWaalsContact CA-CG 3.43Å; E605-D1417 WeakPolarHBondContact CA-OD1 3.46Å; E605-D1417 VanDerWaalsContact CA-OD2 3.25Å; E605-D1417 WeakPolarHBondContact CA-OD2 3.45Å; E605-D1417 HydrophobicContact CB-CB 4.15Å; E605-D1417 HydrophobicContact CG-CB 4.41Å; L608-D1417 WeakPolarHBondContact CA-OD2 3.45Å; L608-D1417 VanDerWaalsContact CB-OD2 3.26Å; L608-D1417 WeakPolarHBondContact CB-OD2 3.09Å; L608-D1417 WeakPolarHBondContact CD1-OD1 3.45Å; V609-D1417 HydrophobicContact CG2-CB 4.37Å; V609-D1417 WeakPolarHBondContact CG2-OD2 3.31Å; V609-D1417 PolarHBondContact N-OD2 3.21Å; V609-D1417 VanDerWaalsContact N-OD2 3.16Å; A1412-D1417 HydrophobicContact CB-CB 3.63Å; A1412-D1417 PolarHBondContact O-N 3.15Å; Q1415-D1417 VanDerWaalsContact C-N 3.32Å; Q1415-D1417 HydrophobicContact CB-CB 4.49Å; D1417-V1421 WeakPolarHBondContact O-CG2 3.37Å | ||
| 1418 | W | 79.4 | Confident | 78.9 | Confident | 20 Ų | 20 | 15 Ų | 15 | 8% | 0.076 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -87.4 | -25.6 | -167.3 | -55.1 | 117.1 | 0 | 0 | 0 | 112.5 | A1413 S1416 R1420 V1421 S1422 S1466 L1469 T1470 F1522 I1526 | A1413-W1418 HydrophobicContact CB-CH2 4.44Å; A1413-W1418 HydrophobicContact CB-CZ3 3.94Å; S1416-W1418 VanDerWaalsContact O-CD1 3.31Å; S1416-W1418 PolarHBondContact O-N 3.01Å; S1416-W1418 PolarHBondContact O-NE1 3.02Å; W1418-R1420 PolarHBondContact O-N 3.37Å; W1418-V1421 HydrophobicContact CE3-CB 4.36Å; W1418-V1421 HydrophobicContact CE3-CG1 4.43Å; W1418-V1421 HydrophobicContact CE3-CG2 4.17Å; W1418-V1421 WeakPolarHBondContact O-CB 3.45Å; W1418-V1421 PolarHBondContact O-N 3.01Å; W1418-V1421 VanDerWaalsContact O-N 3.17Å; W1418-S1422 PolarHBondContact O-N 3.45Å; W1418-S1466 WeakPolarHBondContact O-CB 3.25Å; W1418-L1469 HydrophobicContact CB-CB 4.33Å; W1418-L1469 HydrophobicContact CD2-CB 3.92Å; W1418-L1469 HydrophobicContact CD2-CD1 3.98Å; W1418-L1469 HydrophobicContact CE3-CD1 4.14Å; W1418-L1469 HydrophobicContact CG-CB 3.67Å; W1418-L1469 HydrophobicContact CH2-CD1 4.18Å; W1418-L1469 HydrophobicContact CZ2-CD1 4.01Å; W1418-L1469 HydrophobicContact CZ3-CD1 4.24Å; W1418-T1470 HydrophobicContact CB-CG2 3.57Å; W1418-F1522 HydrophobicContact CE3-CZ 4.29Å; W1418-F1522 AromaticContact CZ3-CE2 3.93Å; W1418-F1522 HydrophobicContact CZ3-CE2 3.93Å; W1418-F1522 AromaticContact CZ3-CZ 3.69Å; W1418-F1522 HydrophobicContact CZ3-CZ 3.69Å; W1418-I1526 HydrophobicContact CH2-CD1 4.3Å; W1418-I1526 HydrophobicContact CH2-CG1 3.79Å; W1418-I1526 HydrophobicContact CZ3-CG1 4.47Å |
| 1419 | C | 76 | Confident | 79 | Confident | 44 Ų | 44 | 15.5 Ų | 15.5 | 30% | 0.297 | 9% | 0.091 | S | C | . | . | H | α-helix | trans | -61.3 | -42.9 | -175.1 | -59.1 | 0 | 0 | 0 | 0 | 112.8 | L608 S1422 E1423 T1470 | L608-C1419 HydrophobicContact CD1-CB 3.58Å; C1419-S1422 CarbonylContact O-C 3.57Å; C1419-S1422 WeakPolarHBondContact O-CA 3.19Å; C1419-S1422 WeakPolarHBondContact O-CB 3.44Å; C1419-S1422 PolarHBondContact O-N 2.96Å; C1419-E1423 PolarHBondContact O-N 3.46Å; C1419-T1470 HydrophobicContact CB-CG2 4.48Å; C1419-T1470 VanDerWaalsContact SG-CG2 3.52Å |
| 1420 | R | 76.6 | Confident | 78.7 | Confident | 2 Ų | 2 | 20 Ų | 20 | 1% | 0.008 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -90.7 | -11.8 | 173.4 | 176.7 | -135.4 | -121.3 | 90.9 | 0.6 | 113.5 | D602 N603 D604 E605 W1418 S1422 E1423 I1424 | D602-R1420 WeakPolarHBondContact O-CD 3.47Å; D602-R1420 WeakPolarHBondContact O-CG 3.44Å; D602-R1420 PolarHBondContact O-NE 3.21Å; N603-R1420 VanDerWaalsContact CA-NH2 3.26Å; N603-R1420 PolarHBondContact O-NH1 3.34Å; N603-R1420 PolarHBondContact O-NH2 3.17Å; N603-R1420 PolarHBondContact OD1-NH2 3.34Å; D604-R1420 HydrophobicContact CB-CB 3.7Å; E605-R1420 HydrophobicContact CB-CB 3.84Å; E605-R1420 HydrophobicContact CB-CG 4.04Å; E605-R1420 HydrophobicContact CG-CB 3.43Å; E605-R1420 VanDerWaalsContact CG-CB 3.43Å; E605-R1420 HydrophobicContact CG-CG 3.65Å; E605-R1420 VanDerWaalsContact OE2-CD 3.32Å; E605-R1420 WeakPolarHBondContact OE2-CD 3.45Å; W1418-R1420 PolarHBondContact O-N 3.37Å; R1420-S1422 PolarHBondContact O-N 3.38Å; R1420-E1423 HydrophobicContact CB-CB 4.13Å; R1420-E1423 HydrophobicContact CB-CG 4.41Å; R1420-E1423 HydrophobicContact CG-CB 4.2Å; R1420-E1423 PolarHBondContact O-N 3.05Å; R1420-I1424 HydrophobicContact CG-CG1 3.98Å; R1420-I1424 WeakPolarHBondContact O-CB 3.45Å; R1420-I1424 WeakPolarHBondContact O-CG1 3.41Å; R1420-I1424 PolarHBondContact O-N 2.96Å |
| 1421 | V | 80 | Confident | 78.7 | Confident | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -57 | -35.7 | 155.1 | 168.1 | 0 | 0 | 0 | 0 | 109.8 | L1409 A1413 D1417 W1418 A1425 F1522 | L1409-V1421 HydrophobicContact CD2-CG1 4.06Å; L1409-V1421 HydrophobicContact CD2-CG2 4.25Å; A1413-V1421 HydrophobicContact CB-CG2 4.14Å; D1417-V1421 WeakPolarHBondContact O-CG2 3.37Å; W1418-V1421 HydrophobicContact CE3-CB 4.36Å; W1418-V1421 HydrophobicContact CE3-CG1 4.43Å; W1418-V1421 HydrophobicContact CE3-CG2 4.17Å; W1418-V1421 WeakPolarHBondContact O-CB 3.45Å; W1418-V1421 PolarHBondContact O-N 3.01Å; W1418-V1421 VanDerWaalsContact O-N 3.17Å; V1421-A1425 WeakPolarHBondContact O-CB 3.12Å; V1421-A1425 PolarHBondContact O-N 3.28Å; V1421-F1522 HydrophobicContact CG1-CE2 3.65Å; V1421-F1522 HydrophobicContact CG1-CZ 3.81Å; V1421-F1522 HydrophobicContact CG2-CE2 4.28Å |
| 1422 | S | 81.2 | Confident | 78.7 | Confident | 11 Ų | 11 | 21.1 Ų | 21.1 | 8% | 0.077 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -69.3 | -48.8 | 169.5 | -152.4 | 0 | 0 | 0 | 0 | 112.1 | W1418 C1419 R1420 I1424 A1425 T1426 N1463 S1466 N1467 | W1418-S1422 PolarHBondContact O-N 3.45Å; C1419-S1422 CarbonylContact O-C 3.57Å; C1419-S1422 WeakPolarHBondContact O-CA 3.19Å; C1419-S1422 WeakPolarHBondContact O-CB 3.44Å; C1419-S1422 PolarHBondContact O-N 2.96Å; R1420-S1422 PolarHBondContact O-N 3.38Å; S1422-I1424 PolarHBondContact O-N 3.44Å; S1422-A1425 CarbonylContact O-C 3.53Å; S1422-A1425 WeakPolarHBondContact O-CA 3.38Å; S1422-A1425 WeakPolarHBondContact O-CB 3.45Å; S1422-A1425 PolarHBondContact O-N 2.69Å; S1422-A1425 VanDerWaalsContact O-N 3.1Å; S1422-T1426 PolarHBondContact O-N 3.01Å; S1422-T1426 PolarHBondContact O-OG1 2.81Å; S1422-N1463 PolarHBondContact OG-OD1 2.94Å; S1422-S1466 WeakPolarHBondContact CA-OG 3.26Å; S1422-S1466 WeakPolarHBondContact CB-OG 3.47Å; S1422-S1466 PolarHBondContact N-OG 3.21Å; S1422-N1467 WeakPolarHBondContact CB-OD1 3.32Å; S1422-N1467 PolarHBondContact OG-OD1 2.7Å |
| 1423 | E | 80.6 | Confident | 78.6 | Confident | 62 Ų | 62 | 24.2 Ų | 24.2 | 29% | 0.29 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -65.1 | -37.9 | -179.7 | -59.5 | -161.3 | 148.2 | 0 | 0 | 114.7 | G601 N603 D604 C1419 R1420 A1425 T1426 A1427 | G601-E1423 VanDerWaalsContact O-CB 3.28Å; G601-E1423 WeakPolarHBondContact O-CB 3.34Å; N603-E1423 VanDerWaalsContact CA-OE2 3.3Å; N603-E1423 WeakPolarHBondContact CA-OE2 3.41Å; N603-E1423 PolarHBondContact N-OE2 3.13Å; D604-E1423 HydrophobicContact CB-CG 4.38Å; D604-E1423 WeakPolarHBondContact CB-OE2 3.49Å; D604-E1423 PolarHBondContact N-OE2 3.41Å; C1419-E1423 PolarHBondContact O-N 3.46Å; R1420-E1423 HydrophobicContact CB-CB 4.13Å; R1420-E1423 HydrophobicContact CB-CG 4.41Å; R1420-E1423 HydrophobicContact CG-CB 4.2Å; R1420-E1423 PolarHBondContact O-N 3.05Å; E1423-A1425 PolarHBondContact O-N 3.07Å; E1423-T1426 WeakPolarHBondContact CA-OG1 3.44Å; E1423-T1426 PolarHBondContact O-N 3.04Å; E1423-T1426 PolarHBondContact O-OG1 2.9Å; E1423-A1427 WeakPolarHBondContact O-CB 3.35Å; E1423-A1427 PolarHBondContact O-N 3.4Å |
| 1424 | I | 80.3 | Confident | 78.6 | Confident | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -57.4 | -45.3 | 171.4 | -50.5 | -120 | 0 | 0 | 0 | 108.4 | D602 W1397 W1408 L1409 R1420 S1422 Q1428 | D602-I1424 VanDerWaalsContact CB-CA 3.42Å; D602-I1424 HydrophobicContact CB-CB 3.81Å; D602-I1424 HydrophobicContact CB-CD1 3.69Å; D602-I1424 HydrophobicContact CB-CG1 3.64Å; D602-I1424 HydrophobicContact CB-CG2 4.06Å; W1397-I1424 HydrophobicContact CH2-CD1 4.41Å; W1397-I1424 HydrophobicContact CZ3-CD1 4.49Å; W1408-I1424 HydrophobicContact CB-CD1 3.68Å; L1409-I1424 HydrophobicContact CB-CB 4.48Å; L1409-I1424 HydrophobicContact CB-CD1 4.08Å; L1409-I1424 HydrophobicContact CB-CG1 4.32Å; L1409-I1424 HydrophobicContact CB-CG2 4.17Å; L1409-I1424 HydrophobicContact CD1-CB 4.06Å; L1409-I1424 HydrophobicContact CD1-CG2 3.73Å; L1409-I1424 HydrophobicContact CG-CB 4.24Å; L1409-I1424 HydrophobicContact CG-CG1 4.38Å; L1409-I1424 HydrophobicContact CG-CG2 4.21Å; R1420-I1424 HydrophobicContact CG-CG1 3.98Å; R1420-I1424 WeakPolarHBondContact O-CB 3.45Å; R1420-I1424 WeakPolarHBondContact O-CG1 3.41Å; R1420-I1424 PolarHBondContact O-N 2.96Å; S1422-I1424 PolarHBondContact O-N 3.44Å; I1424-Q1428 HydrophobicContact CG2-CG 4Å; I1424-Q1428 WeakPolarHBondContact O-CB 3.36Å; I1424-Q1428 VanDerWaalsContact O-CG 3.28Å; I1424-Q1428 WeakPolarHBondContact O-CG 3.44Å; I1424-Q1428 PolarHBondContact O-N 3.09Å |
| 1425 | A | 82.5 | Confident | 78.4 | Confident | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -65.6 | -42.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | V1421 S1422 E1423 S1429 L1459 L1462 N1463 | V1421-A1425 WeakPolarHBondContact O-CB 3.12Å; V1421-A1425 PolarHBondContact O-N 3.28Å; S1422-A1425 CarbonylContact O-C 3.53Å; S1422-A1425 WeakPolarHBondContact O-CA 3.38Å; S1422-A1425 WeakPolarHBondContact O-CB 3.45Å; S1422-A1425 PolarHBondContact O-N 2.69Å; S1422-A1425 VanDerWaalsContact O-N 3.1Å; E1423-A1425 PolarHBondContact O-N 3.07Å; A1425-S1429 WeakPolarHBondContact O-CB 3.45Å; A1425-S1429 PolarHBondContact O-N 2.76Å; A1425-S1429 VanDerWaalsContact O-N 3.07Å; A1425-S1429 PolarHBondContact O-OG 3.04Å; A1425-L1459 HydrophobicContact CB-CB 3.95Å; A1425-L1459 HydrophobicContact CB-CD2 4.42Å; A1425-L1459 WeakPolarHBondContact CB-O 3.49Å; A1425-L1462 HydrophobicContact CB-CB 4.38Å; A1425-N1463 HydrophobicContact CB-CB 3.81Å |
| 1426 | T | 82 | Confident | 78.1 | Confident | 52 Ų | 52 | 33 Ų | 33 | 32% | 0.319 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -65.9 | -51.9 | 177 | 51.4 | 0 | 0 | 0 | 0 | 111.5 | S1422 E1423 S1429 E1430 N1463 | S1422-T1426 PolarHBondContact O-N 3.01Å; S1422-T1426 PolarHBondContact O-OG1 2.81Å; E1423-T1426 WeakPolarHBondContact CA-OG1 3.44Å; E1423-T1426 PolarHBondContact O-N 3.04Å; E1423-T1426 PolarHBondContact O-OG1 2.9Å; T1426-S1429 CarbonylContact O-C 3.45Å; T1426-S1429 WeakPolarHBondContact O-CA 3.45Å; T1426-S1429 WeakPolarHBondContact O-CB 3.22Å; T1426-S1429 PolarHBondContact O-N 3.22Å; T1426-S1429 VanDerWaalsContact O-N 3.12Å; T1426-S1429 PolarHBondContact O-OG 2.72Å; T1426-E1430 PolarHBondContact O-N 2.99Å; T1426-N1463 WeakPolarHBondContact CG2-ND2 3.22Å |
| 1427 | A | 80.2 | Confident | 77.5 | Confident | 3 Ų | 3 | 39 Ų | 39 | 3% | 0.025 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -70.5 | -42.8 | -173.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | D602 E1423 S1429 E1430 C1431 | D602-A1427 WeakPolarHBondContact OD1-CB 3.2Å; E1423-A1427 WeakPolarHBondContact O-CB 3.35Å; E1423-A1427 PolarHBondContact O-N 3.4Å; A1427-S1429 PolarHBondContact O-N 2.97Å; A1427-E1430 CarbonylContact O-C 3.59Å; A1427-E1430 WeakPolarHBondContact O-CA 3.49Å; A1427-E1430 WeakPolarHBondContact O-CB 3.49Å; A1427-E1430 PolarHBondContact O-N 2.91Å; A1427-C1431 PolarHBondContact O-N 2.9Å; A1427-C1431 PolarHBondContact O-SG 2.77Å |
| 1428 | Q | 81.4 | Confident | 76.7 | Confident | 5 Ų | 5 | 40.9 Ų | 40.9 | 2% | 0.023 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -63.6 | -27.9 | 170.8 | -62.6 | -56.1 | -60.4 | 0 | 0 | 112.8 | D602 W1397 S1405 I1424 F1432 L1459 | D602-Q1428 PolarHBondContact OD1-NE2 3.21Å; D602-Q1428 PolarHBondContact OD2-NE2 3.46Å; W1397-Q1428 PolarHBondContact O-NE2 3.42Å; S1405-Q1428 PolarHBondContact OG-NE2 3.14Å; I1424-Q1428 HydrophobicContact CG2-CG 4Å; I1424-Q1428 WeakPolarHBondContact O-CB 3.36Å; I1424-Q1428 VanDerWaalsContact O-CG 3.28Å; I1424-Q1428 WeakPolarHBondContact O-CG 3.44Å; I1424-Q1428 PolarHBondContact O-N 3.09Å; Q1428-F1432 WeakPolarHBondContact O-CD2 3.41Å; Q1428-F1432 WeakPolarHBondContact O-CG 3.29Å; Q1428-F1432 PolarHBondContact O-N 3.28Å; Q1428-F1432 VanDerWaalsContact O-N 3.14Å; Q1428-L1459 HydrophobicContact CB-CD1 3.69Å |
| 1429 | S | 79.5 | Confident | 75.1 | Confident | 12 Ų | 12 | 45 Ų | 45 | 8% | 0.084 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -69.8 | -38.9 | 170 | 82 | 0 | 0 | 0 | 0 | 112 | A1425 T1426 A1427 F1432 I1433 | A1425-S1429 WeakPolarHBondContact O-CB 3.45Å; A1425-S1429 PolarHBondContact O-N 2.76Å; A1425-S1429 VanDerWaalsContact O-N 3.07Å; A1425-S1429 PolarHBondContact O-OG 3.04Å; T1426-S1429 CarbonylContact O-C 3.45Å; T1426-S1429 WeakPolarHBondContact O-CA 3.45Å; T1426-S1429 WeakPolarHBondContact O-CB 3.22Å; T1426-S1429 PolarHBondContact O-N 3.22Å; T1426-S1429 VanDerWaalsContact O-N 3.12Å; T1426-S1429 PolarHBondContact O-OG 2.72Å; A1427-S1429 PolarHBondContact O-N 2.97Å; S1429-F1432 PolarHBondContact O-N 3.1Å; S1429-I1433 WeakPolarHBondContact O-CB 3.38Å; S1429-I1433 WeakPolarHBondContact O-CD1 3.33Å; S1429-I1433 WeakPolarHBondContact O-CG1 3.44Å; S1429-I1433 PolarHBondContact O-N 3.14Å |
| 1430 | E | 80.1 | Confident | 73.7 | Confident | 93 Ų | 93 | 46.4 Ų | 46.4 | 44% | 0.435 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -64.2 | -41.2 | 171.4 | -74.3 | -170.6 | -165.2 | 0 | 0 | 112 | K1398 T1426 A1427 F1432 I1433 Q1434 | K1398-E1430 WeakPolarHBondContact CE-OE2 3.47Å; K1398-E1430 IonicContact NZ-OE2 3.96Å; K1398-E1430 PolarHBondContact NZ-OE2 3.09Å; T1426-E1430 PolarHBondContact O-N 2.99Å; A1427-E1430 CarbonylContact O-C 3.59Å; A1427-E1430 WeakPolarHBondContact O-CA 3.49Å; A1427-E1430 WeakPolarHBondContact O-CB 3.49Å; A1427-E1430 PolarHBondContact O-N 2.91Å; E1430-F1432 VanDerWaalsContact C-N 3.32Å; E1430-F1432 PolarHBondContact O-N 3.4Å; E1430-I1433 PolarHBondContact O-N 3.4Å; E1430-Q1434 WeakPolarHBondContact O-CB 3.43Å; E1430-Q1434 WeakPolarHBondContact O-CG 3.29Å; E1430-Q1434 PolarHBondContact O-N 3.2Å |
| 1431 | C | 80.3 | Confident | 72 | Confident | 18 Ų | 18 | 51 Ų | 51 | 12% | 0.122 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -53.5 | -51.5 | 173.5 | -59.5 | 0 | 0 | 0 | 0 | 110.1 | K1398 A1427 I1433 Q1434 E1435 | K1398-C1431 WeakPolarHBondContact CG-SG 3.44Å; A1427-C1431 PolarHBondContact O-N 2.9Å; A1427-C1431 PolarHBondContact O-SG 2.77Å; C1431-I1433 PolarHBondContact O-N 3.18Å; C1431-Q1434 PolarHBondContact O-N 2.73Å; C1431-E1435 PolarHBondContact O-N 3.39Å |
| 1432 | F | 77.6 | Confident | 70.4 | Confident | 9 Ų | 9 | 57.5 Ų | 57.5 | 4% | 0.039 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -67.7 | -33.5 | 179 | -67.1 | -34.6 | 0 | 0 | 0 | 113.5 | L1402 Q1428 S1429 E1430 L1436 Y1452 K1455 I1456 L1459 F1515 | L1402-F1432 HydrophobicContact CD1-CE2 4.25Å; L1402-F1432 HydrophobicContact CD1-CZ 3.6Å; L1402-F1432 HydrophobicContact CD2-CZ 3.97Å; L1402-F1432 HydrophobicContact CG-CZ 4.36Å; Q1428-F1432 WeakPolarHBondContact O-CD2 3.41Å; Q1428-F1432 WeakPolarHBondContact O-CG 3.29Å; Q1428-F1432 PolarHBondContact O-N 3.28Å; Q1428-F1432 VanDerWaalsContact O-N 3.14Å; S1429-F1432 PolarHBondContact O-N 3.1Å; E1430-F1432 VanDerWaalsContact C-N 3.32Å; E1430-F1432 PolarHBondContact O-N 3.4Å; F1432-L1436 WeakPolarHBondContact O-CB 3.36Å; F1432-L1436 VanDerWaalsContact O-CG 3.25Å; F1432-L1436 WeakPolarHBondContact O-CG 3.44Å; F1432-L1436 PolarHBondContact O-N 3.44Å; F1432-Y1452 HydrophobicContact CB-CD1 3.93Å; F1432-Y1452 HydrophobicContact CB-CE1 4.3Å; F1432-Y1452 AromaticContact CD1-CD1 3.92Å; F1432-Y1452 HydrophobicContact CD1-CD1 3.92Å; F1432-Y1452 AromaticContact CD1-CE1 3.61Å; F1432-Y1452 HydrophobicContact CD1-CE1 3.61Å; F1432-Y1452 HydrophobicContact CE1-CE1 4.27Å; F1432-Y1452 AromaticContact CG-CD1 3.99Å; F1432-Y1452 HydrophobicContact CG-CD1 3.99Å; F1432-Y1452 HydrophobicContact CG-CE1 4.15Å; F1432-K1455 HydrophobicContact CD2-CB 3.99Å; F1432-K1455 HydrophobicContact CD2-CD 4.22Å; F1432-K1455 HydrophobicContact CE1-CD 4.18Å; F1432-K1455 HydrophobicContact CE2-CB 3.88Å; F1432-K1455 HydrophobicContact CE2-CD 3.81Å; F1432-K1455 HydrophobicContact CE2-CG 4.41Å; F1432-K1455 HydrophobicContact CZ-CD 3.78Å; F1432-I1456 HydrophobicContact CB-CD1 4.07Å; F1432-I1456 HydrophobicContact CB-CG1 3.98Å; F1432-I1456 HydrophobicContact CD2-CG1 4.42Å; F1432-L1459 HydrophobicContact CD2-CD1 4.09Å; F1432-L1459 HydrophobicContact CE2-CD1 4Å; F1432-F1515 HydrophobicContact CE2-CE1 4.26Å; F1432-F1515 AromaticContact CE2-CZ 3.93Å; F1432-F1515 HydrophobicContact CE2-CZ 3.93Å; F1432-F1515 AromaticContact CZ-CZ 4Å; F1432-F1515 HydrophobicContact CZ-CZ 4Å |
| 1433 | I | 76.7 | Confident | 68.8 | Low | 65 Ų | 65 | 61 Ų | 61 | 33% | 0.333 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -68.7 | -38.5 | 173.6 | -71.2 | 164.5 | 0 | 0 | 0 | 110.8 | S1429 E1430 C1431 L1436 Y1437 I1456 | S1429-I1433 WeakPolarHBondContact O-CB 3.38Å; S1429-I1433 WeakPolarHBondContact O-CD1 3.33Å; S1429-I1433 WeakPolarHBondContact O-CG1 3.44Å; S1429-I1433 PolarHBondContact O-N 3.14Å; E1430-I1433 PolarHBondContact O-N 3.4Å; C1431-I1433 PolarHBondContact O-N 3.18Å; I1433-L1436 WeakPolarHBondContact O-CB 3.32Å; I1433-L1436 PolarHBondContact O-N 3.11Å; I1433-Y1437 HydrophobicContact CG2-CD2 3.65Å; I1433-Y1437 HydrophobicContact CG2-CE2 3.56Å; I1433-Y1437 WeakPolarHBondContact O-CD2 3.44Å; I1433-Y1437 PolarHBondContact O-N 3.33Å; I1433-I1456 HydrophobicContact CG1-CD1 3.86Å |
| 1434 | Q | 74.6 | Confident | 67.4 | Low | 104 Ų | 104 | 59.3 Ų | 59.3 | 49% | 0.486 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -73.6 | -37 | 176.5 | -70.8 | -174.6 | -8.5 | 0 | 0 | 112.5 | E1430 C1431 L1436 Y1437 S1438 | E1430-Q1434 WeakPolarHBondContact O-CB 3.43Å; E1430-Q1434 WeakPolarHBondContact O-CG 3.29Å; E1430-Q1434 PolarHBondContact O-N 3.2Å; C1431-Q1434 PolarHBondContact O-N 2.73Å; Q1434-L1436 VanDerWaalsContact C-N 3.29Å; Q1434-L1436 PolarHBondContact O-N 3.21Å; Q1434-Y1437 PolarHBondContact O-N 3.01Å; Q1434-S1438 PolarHBondContact O-N 3.23Å |
| 1435 | E | 71.6 | Confident | 66.1 | Low | 90 Ų | 90 | 61.5 Ų | 61.5 | 42% | 0.421 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -56 | -45.9 | 167.4 | -79.3 | -167.7 | 163.8 | 0 | 0 | 110.5 | C1431 S1438 Y1452 | C1431-E1435 PolarHBondContact O-N 3.39Å; E1435-S1438 WeakPolarHBondContact O-CB 3.42Å; E1435-S1438 PolarHBondContact O-N 3.38Å; E1435-S1438 PolarHBondContact O-OG 2.94Å; E1435-Y1452 WeakPolarHBondContact OE2-CE1 3.28Å; E1435-Y1452 PolarHBondContact OE2-OH 3.31Å |
| 1436 | L | 68.4 | Low | 64.9 | Low | 34 Ų | 34 | 65.1 Ų | 65.1 | 18% | 0.178 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -66.1 | -32 | 176.5 | -75.4 | 177.1 | 0 | 0 | 0 | 113.8 | F1432 I1433 Q1434 I1441 I1444 L1449 Y1452 I1456 | F1432-L1436 WeakPolarHBondContact O-CB 3.36Å; F1432-L1436 VanDerWaalsContact O-CG 3.25Å; F1432-L1436 WeakPolarHBondContact O-CG 3.44Å; F1432-L1436 PolarHBondContact O-N 3.44Å; I1433-L1436 WeakPolarHBondContact O-CB 3.32Å; I1433-L1436 PolarHBondContact O-N 3.11Å; Q1434-L1436 VanDerWaalsContact C-N 3.29Å; Q1434-L1436 PolarHBondContact O-N 3.21Å; L1436-I1441 WeakPolarHBondContact O-CD1 3.22Å; L1436-I1441 WeakPolarHBondContact O-CG1 3.49Å; L1436-I1444 HydrophobicContact CD2-CD1 3.9Å; L1436-L1449 HydrophobicContact CD2-CD2 3.78Å; L1436-Y1452 HydrophobicContact CD1-CG 4.36Å; L1436-Y1452 HydrophobicContact CD2-CD2 3.73Å; L1436-Y1452 HydrophobicContact CD2-CE2 4.28Å; L1436-Y1452 HydrophobicContact CD2-CG 4.03Å; L1436-Y1452 HydrophobicContact CG-CD2 4.36Å; L1436-Y1452 HydrophobicContact CG-CG 4.2Å; L1436-I1456 HydrophobicContact CD1-CD1 4.33Å |
| 1437 | Y | 60.6 | Low | 63.7 | Low | 185 Ų | 185 | 64.5 Ų | 64.5 | 73% | 0.725 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -83 | -10.6 | 175.7 | -81.5 | -59.8 | 0 | 0 | 0 | 114.3 | I1433 Q1434 | I1433-Y1437 HydrophobicContact CG2-CD2 3.65Å; I1433-Y1437 HydrophobicContact CG2-CE2 3.56Å; I1433-Y1437 WeakPolarHBondContact O-CD2 3.44Å; I1433-Y1437 PolarHBondContact O-N 3.33Å; Q1434-Y1437 PolarHBondContact O-N 3.01Å |
| 1438 | S | 60.4 | Low | 63 | Low | 49 Ų | 49 | 67.9 Ų | 67.9 | 34% | 0.343 | 35% | 0.346 | S | S | . | . | S | Bend | trans | -63.2 | 167.2 | 175.7 | 76.6 | 0 | 0 | 0 | 0 | 112.5 | Q1434 E1435 T1440 I1441 | Q1434-S1438 PolarHBondContact O-N 3.23Å; E1435-S1438 WeakPolarHBondContact O-CB 3.42Å; E1435-S1438 PolarHBondContact O-N 3.38Å; E1435-S1438 PolarHBondContact O-OG 2.94Å; S1438-T1440 PolarHBondContact O-N 3.01Å; S1438-T1440 PolarHBondContact OG-OG1 3.24Å; S1438-T1440 VanDerWaalsContact OG-OG1 3.09Å; S1438-I1441 PolarHBondContact O-N 3.32Å |
| 1439 | D | 46 | Very low | 62.3 | Low | 108 Ų | 108 | 72 Ų | 72 | 58% | 0.578 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | 11.4 | -176.9 | -128.6 | 37.7 | 0 | 0 | 0 | 116.1 | K1164 | K1164-D1439 IonicContact NZ-OD2 3.27Å; K1164-D1439 PolarHBondContact NZ-OD2 3.08Å |
| 1440 | T | 46.1 | Very low | 61.8 | Low | 72 Ų | 72 | 75 Ų | 75 | 44% | 0.442 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97 | -16.1 | -176.4 | 60.5 | 0 | 0 | 0 | 0 | 114.5 | S1438 Q1442 F1443 | S1438-T1440 PolarHBondContact O-N 3.01Å; S1438-T1440 PolarHBondContact OG-OG1 3.24Å; S1438-T1440 VanDerWaalsContact OG-OG1 3.09Å; T1440-Q1442 PolarHBondContact O-N 3.41Å; T1440-F1443 PolarHBondContact O-N 3.49Å |
| 1441 | I | 42.8 | Very low | 61.4 | Low | 99 Ų | 99 | 70.9 Ų | 70.9 | 51% | 0.508 | 36% | 0.363 | S | S | . | . | G | 310 helix | trans | -42.3 | -44 | -173 | -69.5 | 171.6 | 0 | 0 | 0 | 114 | L1436 S1438 F1443 I1444 | L1436-I1441 WeakPolarHBondContact O-CD1 3.22Å; L1436-I1441 WeakPolarHBondContact O-CG1 3.49Å; S1438-I1441 PolarHBondContact O-N 3.32Å; I1441-F1443 PolarHBondContact O-N 3.12Å; I1441-I1444 PolarHBondContact O-N 3.08Å |
| 1442 | Q | 44.7 | Very low | 61.2 | Low | 136 Ų | 136 | 71.8 Ų | 71.8 | 64% | 0.636 | 36% | 0.364 | S | S | * | . | G | 310 helix | trans | -59.8 | -17 | -175.3 | -63.6 | -173.7 | 8.3 | 0 | 0 | 114.5 | T1440 | T1440-Q1442 PolarHBondContact O-N 3.41Š|
| 1443 | F | 47.9 | Very low | 61.2 | Low | 84 Ų | 84 | 73.2 Ų | 73.2 | 37% | 0.368 | 38% | 0.381 | S | S | . | . | G | 310 helix | trans | -122.4 | -0.2 | -176.1 | -65.2 | -86.3 | 0 | 0 | 0 | 114.9 | T1440 I1441 S1445 | T1440-F1443 PolarHBondContact O-N 3.49Å; I1441-F1443 PolarHBondContact O-N 3.12Å; F1443-S1445 PolarHBondContact O-N 3.3Å |
| 1444 | I | 52.3 | Low | 61.1 | Low | 28 Ų | 28 | 71.3 Ų | 71.3 | 14% | 0.144 | 37% | 0.371 | C | S | . | . | trans | -68.7 | 131.6 | 176.7 | -50.8 | -177.8 | 0 | 0 | 0 | 109.3 | L1436 I1441 Q1448 L1449 | L1436-I1444 HydrophobicContact CD2-CD1 3.9Å; I1441-I1444 PolarHBondContact O-N 3.08Å; I1444-Q1448 HydrophobicContact CG2-CB 3.64Å; I1444-L1449 HydrophobicContact CG2-CD2 4.32Å; I1444-L1449 HydrophobicContact CG2-CG 3.9Å | ||
| 1445 | S | 52.8 | Low | 61.5 | Low | 46 Ų | 46 | 67.1 Ų | 67.1 | 32% | 0.322 | 35% | 0.351 | S | S | . | . | trans | -81.3 | 158.3 | 176.5 | 69.2 | 0 | 0 | 0 | 0 | 112.2 | F1443 D1447 Q1448 L1449 | F1443-S1445 PolarHBondContact O-N 3.3Å; S1445-D1447 PolarHBondContact O-N 3.12Å; S1445-Q1448 PolarHBondContact O-N 3Å; S1445-Q1448 VanDerWaalsContact O-N 3.08Å; S1445-Q1448 WeakPolarHBondContact OG-CG 3.36Å; S1445-Q1448 PolarHBondContact OG-N 2.88Å; S1445-L1449 PolarHBondContact O-N 3.34Å | ||
| 1446 | S | 56.4 | Low | 62 | Low | 76 Ų | 76 | 64 Ų | 64 | 53% | 0.531 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -44.9 | -46.3 | 169.7 | 44 | 0 | 0 | 0 | 0 | 112.1 | Q1448 L1449 I1450 | S1446-Q1448 VanDerWaalsContact C-N 3.33Å; S1446-Q1448 PolarHBondContact O-N 3.18Å; S1446-L1449 WeakPolarHBondContact O-CB 3.42Å; S1446-L1449 PolarHBondContact O-N 3.34Å; S1446-I1450 VanDerWaalsContact O-CG1 3.31Å; S1446-I1450 WeakPolarHBondContact O-CG1 3.35Å; S1446-I1450 PolarHBondContact O-N 3.1Å |
| 1447 | D | 57.1 | Low | 62.5 | Low | 39 Ų | 39 | 66.3 Ų | 66.3 | 21% | 0.209 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -70.4 | -35.1 | -173.1 | -45.1 | -8.7 | 0 | 0 | 0 | 110.3 | S1445 I1451 | S1445-D1447 PolarHBondContact O-N 3.12Å; D1447-I1451 WeakPolarHBondContact O-CB 3.41Å; D1447-I1451 VanDerWaalsContact O-CD1 3.22Å; D1447-I1451 WeakPolarHBondContact O-CD1 3.14Å; D1447-I1451 WeakPolarHBondContact O-CG1 3.38Å; D1447-I1451 PolarHBondContact O-N 3.47Å |
| 1448 | Q | 64.9 | Low | 63.6 | Low | 74 Ų | 74 | 57.5 Ų | 57.5 | 35% | 0.346 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -68.3 | -43.6 | 172.8 | -71.6 | -176.5 | 21.1 | 0 | 0 | 111.5 | I1444 S1445 S1446 I1450 I1451 Y1452 | I1444-Q1448 HydrophobicContact CG2-CB 3.64Å; S1445-Q1448 PolarHBondContact O-N 3Å; S1445-Q1448 VanDerWaalsContact O-N 3.08Å; S1445-Q1448 WeakPolarHBondContact OG-CG 3.36Å; S1445-Q1448 PolarHBondContact OG-N 2.88Å; S1446-Q1448 VanDerWaalsContact C-N 3.33Å; S1446-Q1448 PolarHBondContact O-N 3.18Å; Q1448-I1450 VanDerWaalsContact C-N 3.31Å; Q1448-I1450 PolarHBondContact O-N 2.98Å; Q1448-I1451 PolarHBondContact O-N 2.81Å; Q1448-Y1452 WeakPolarHBondContact O-CD2 3.49Å; Q1448-Y1452 PolarHBondContact O-N 3.12Å |
| 1449 | L | 68 | Low | 64.7 | Low | 90 Ų | 90 | 55.1 Ų | 55.1 | 47% | 0.471 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -58.3 | -42.5 | 174.3 | -76.5 | 165.7 | 0 | 0 | 0 | 111.8 | L1436 I1444 S1445 S1446 Y1452 G1453 | L1436-L1449 HydrophobicContact CD2-CD2 3.78Å; I1444-L1449 HydrophobicContact CG2-CD2 4.32Å; I1444-L1449 HydrophobicContact CG2-CG 3.9Å; S1445-L1449 PolarHBondContact O-N 3.34Å; S1446-L1449 WeakPolarHBondContact O-CB 3.42Å; S1446-L1449 PolarHBondContact O-N 3.34Å; L1449-Y1452 PolarHBondContact O-N 2.91Å; L1449-G1453 PolarHBondContact O-N 3.17Å |
| 1450 | I | 69.1 | Low | 66.4 | Low | 76 Ų | 76 | 53 Ų | 53 | 39% | 0.39 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -71.8 | -35 | 177.6 | -59.4 | 158.7 | 0 | 0 | 0 | 111.5 | S1446 Q1448 G1453 Q1454 Y1495 | S1446-I1450 VanDerWaalsContact O-CG1 3.31Å; S1446-I1450 WeakPolarHBondContact O-CG1 3.35Å; S1446-I1450 PolarHBondContact O-N 3.1Å; Q1448-I1450 VanDerWaalsContact C-N 3.31Å; Q1448-I1450 PolarHBondContact O-N 2.98Å; I1450-G1453 PolarHBondContact O-N 3.35Å; I1450-Q1454 WeakPolarHBondContact O-CB 3.05Å; I1450-Q1454 WeakPolarHBondContact O-CG 3.42Å; I1450-Q1454 PolarHBondContact O-N 3.38Å; I1450-Y1495 HydrophobicContact CB-CE2 4.23Å; I1450-Y1495 VanDerWaalsContact CB-OH 3.31Å; I1450-Y1495 WeakPolarHBondContact CB-OH 3.45Å; I1450-Y1495 HydrophobicContact CD1-CE2 4.21Å; I1450-Y1495 HydrophobicContact CG2-CD2 4.24Å; I1450-Y1495 HydrophobicContact CG2-CE1 4.15Å; I1450-Y1495 HydrophobicContact CG2-CE2 3.42Å; I1450-Y1495 VanDerWaalsContact CG2-CE2 3.42Å; I1450-Y1495 WeakPolarHBondContact CG2-OH 2.89Å |
| 1451 | I | 71.3 | Confident | 68.1 | Low | 6 Ų | 6 | 50.2 Ų | 50.2 | 3% | 0.031 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -60 | -50.8 | 170.9 | -71.5 | 157.5 | 0 | 0 | 0 | 110 | D1447 Q1448 G1453 Q1454 K1455 I1508 L1512 | D1447-I1451 WeakPolarHBondContact O-CB 3.41Å; D1447-I1451 VanDerWaalsContact O-CD1 3.22Å; D1447-I1451 WeakPolarHBondContact O-CD1 3.14Å; D1447-I1451 WeakPolarHBondContact O-CG1 3.38Å; D1447-I1451 PolarHBondContact O-N 3.47Å; Q1448-I1451 PolarHBondContact O-N 2.81Å; I1451-G1453 VanDerWaalsContact C-N 3.32Å; I1451-G1453 PolarHBondContact O-N 2.87Å; I1451-Q1454 WeakPolarHBondContact O-CB 3.32Å; I1451-Q1454 PolarHBondContact O-N 3.44Å; I1451-Q1454 VanDerWaalsContact O-N 3.15Å; I1451-K1455 HydrophobicContact CG2-CD 4.39Å; I1451-K1455 HydrophobicContact CG2-CG 4.45Å; I1451-K1455 VanDerWaalsContact O-CG 3.29Å; I1451-K1455 WeakPolarHBondContact O-CG 3.21Å; I1451-K1455 PolarHBondContact O-N 3.24Å; I1451-I1508 HydrophobicContact CD1-CB 4.1Å; I1451-I1508 HydrophobicContact CD1-CD1 4.29Å; I1451-I1508 HydrophobicContact CD1-CG1 3.84Å; I1451-I1508 HydrophobicContact CD1-CG2 3.5Å; I1451-I1508 VanDerWaalsContact CD1-CG2 3.5Å; I1451-I1508 HydrophobicContact CG1-CG2 3.83Å; I1451-L1512 HydrophobicContact CG1-CD1 4.47Å; I1451-L1512 HydrophobicContact CG2-CD2 4.19Å |
| 1452 | Y | 77 | Confident | 70.1 | Confident | 37 Ų | 37 | 45.5 Ų | 45.5 | 15% | 0.145 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -60.1 | -41.1 | 176 | -79.7 | -70.7 | 0 | 0 | 0 | 112 | F1432 E1435 L1436 Q1448 L1449 Q1454 K1455 I1456 | F1432-Y1452 HydrophobicContact CB-CD1 3.93Å; F1432-Y1452 HydrophobicContact CB-CE1 4.3Å; F1432-Y1452 AromaticContact CD1-CD1 3.92Å; F1432-Y1452 HydrophobicContact CD1-CD1 3.92Å; F1432-Y1452 AromaticContact CD1-CE1 3.61Å; F1432-Y1452 HydrophobicContact CD1-CE1 3.61Å; F1432-Y1452 HydrophobicContact CE1-CE1 4.27Å; F1432-Y1452 AromaticContact CG-CD1 3.99Å; F1432-Y1452 HydrophobicContact CG-CD1 3.99Å; F1432-Y1452 HydrophobicContact CG-CE1 4.15Å; E1435-Y1452 WeakPolarHBondContact OE2-CE1 3.28Å; E1435-Y1452 PolarHBondContact OE2-OH 3.31Å; L1436-Y1452 HydrophobicContact CD1-CG 4.36Å; L1436-Y1452 HydrophobicContact CD2-CD2 3.73Å; L1436-Y1452 HydrophobicContact CD2-CE2 4.28Å; L1436-Y1452 HydrophobicContact CD2-CG 4.03Å; L1436-Y1452 HydrophobicContact CG-CD2 4.36Å; L1436-Y1452 HydrophobicContact CG-CG 4.2Å; Q1448-Y1452 WeakPolarHBondContact O-CD2 3.49Å; Q1448-Y1452 PolarHBondContact O-N 3.12Å; L1449-Y1452 PolarHBondContact O-N 2.91Å; Y1452-Q1454 PolarHBondContact O-N 2.92Å; Y1452-K1455 HydrophobicContact CD1-CD 4.23Å; Y1452-K1455 WeakPolarHBondContact O-CB 3.04Å; Y1452-K1455 PolarHBondContact O-N 2.98Å; Y1452-I1456 WeakPolarHBondContact O-CB 3.45Å; Y1452-I1456 WeakPolarHBondContact O-CD1 3.33Å; Y1452-I1456 VanDerWaalsContact O-CG1 3.29Å; Y1452-I1456 WeakPolarHBondContact O-CG1 3.17Å; Y1452-I1456 PolarHBondContact O-N 3.01Å |
| 1453 | G | 76.4 | Confident | 71.9 | Confident | 39 Ų | 39 | 40.2 Ų | 40.2 | 40% | 0.402 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -60 | -39.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | L1449 I1450 I1451 N1457 | L1449-G1453 PolarHBondContact O-N 3.17Å; I1450-G1453 PolarHBondContact O-N 3.35Å; I1451-G1453 VanDerWaalsContact C-N 3.32Å; I1451-G1453 PolarHBondContact O-N 2.87Å; G1453-N1457 WeakPolarHBondContact O-CB 2.9Å; G1453-N1457 PolarHBondContact O-N 3.4Å |
| 1454 | Q | 75.9 | Confident | 73.5 | Confident | 25 Ų | 25 | 38.8 Ų | 38.8 | 12% | 0.117 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -66.3 | -46.6 | 173.4 | -79.8 | 177.5 | 2.7 | 0 | 0 | 111.6 | I1450 I1451 Y1452 I1456 N1457 F1458 Y1488 L1512 | I1450-Q1454 WeakPolarHBondContact O-CB 3.05Å; I1450-Q1454 WeakPolarHBondContact O-CG 3.42Å; I1450-Q1454 PolarHBondContact O-N 3.38Å; I1451-Q1454 WeakPolarHBondContact O-CB 3.32Å; I1451-Q1454 PolarHBondContact O-N 3.44Å; I1451-Q1454 VanDerWaalsContact O-N 3.15Å; Y1452-Q1454 PolarHBondContact O-N 2.92Å; Q1454-I1456 PolarHBondContact O-N 3.36Å; Q1454-N1457 PolarHBondContact O-N 3.31Å; Q1454-F1458 WeakPolarHBondContact O-CB 3.19Å; Q1454-F1458 PolarHBondContact O-N 3.11Å; Q1454-Y1488 HydrophobicContact CB-CE2 3.99Å; Q1454-Y1488 HydrophobicContact CG-CE2 4.45Å; Q1454-Y1488 WeakPolarHBondContact O-CE2 3.15Å; Q1454-L1512 HydrophobicContact CB-CD2 4.5Å |
| 1455 | K | 82.7 | Confident | 74.8 | Confident | 16 Ų | 16 | 37.5 Ų | 37.5 | 7% | 0.07 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -55.9 | -50.2 | 175.1 | -65.9 | -179.6 | 164.8 | -164.4 | 0 | 111.7 | F1432 I1451 Y1452 F1458 L1459 F1515 | F1432-K1455 HydrophobicContact CD2-CB 3.99Å; F1432-K1455 HydrophobicContact CD2-CD 4.22Å; F1432-K1455 HydrophobicContact CE1-CD 4.18Å; F1432-K1455 HydrophobicContact CE2-CB 3.88Å; F1432-K1455 HydrophobicContact CE2-CD 3.81Å; F1432-K1455 HydrophobicContact CE2-CG 4.41Å; F1432-K1455 HydrophobicContact CZ-CD 3.78Å; I1451-K1455 HydrophobicContact CG2-CD 4.39Å; I1451-K1455 HydrophobicContact CG2-CG 4.45Å; I1451-K1455 VanDerWaalsContact O-CG 3.29Å; I1451-K1455 WeakPolarHBondContact O-CG 3.21Å; I1451-K1455 PolarHBondContact O-N 3.24Å; Y1452-K1455 HydrophobicContact CD1-CD 4.23Å; Y1452-K1455 WeakPolarHBondContact O-CB 3.04Å; Y1452-K1455 PolarHBondContact O-N 2.98Å; K1455-F1458 WeakPolarHBondContact O-CB 3.39Å; K1455-F1458 PolarHBondContact O-N 2.97Å; K1455-L1459 WeakPolarHBondContact O-CG 3.47Å; K1455-L1459 PolarHBondContact O-N 3.23Å; K1455-L1459 VanDerWaalsContact O-N 3.09Å; K1455-F1515 HydrophobicContact CB-CD1 4.33Å; K1455-F1515 HydrophobicContact CB-CE1 3.55Å; K1455-F1515 HydrophobicContact CB-CZ 3.72Å; K1455-F1515 HydrophobicContact CD-CE1 4.24Å; K1455-F1515 HydrophobicContact CD-CE2 3.89Å; K1455-F1515 HydrophobicContact CD-CZ 3.51Å; K1455-F1515 HydrophobicContact CG-CD1 4.24Å; K1455-F1515 HydrophobicContact CG-CD2 4.3Å; K1455-F1515 HydrophobicContact CG-CE1 3.58Å; K1455-F1515 HydrophobicContact CG-CE2 3.68Å; K1455-F1515 HydrophobicContact CG-CZ 3.29Å |
| 1456 | I | 80.9 | Confident | 76 | Confident | 25 Ų | 25 | 35.3 Ų | 35.3 | 13% | 0.128 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -64.5 | -42.7 | 179.2 | -68.5 | 162.4 | 0 | 0 | 0 | 110.6 | F1432 I1433 L1436 Y1452 Q1454 F1458 L1459 N1460 | F1432-I1456 HydrophobicContact CB-CD1 4.07Å; F1432-I1456 HydrophobicContact CB-CG1 3.98Å; F1432-I1456 HydrophobicContact CD2-CG1 4.42Å; I1433-I1456 HydrophobicContact CG1-CD1 3.86Å; L1436-I1456 HydrophobicContact CD1-CD1 4.33Å; Y1452-I1456 WeakPolarHBondContact O-CB 3.45Å; Y1452-I1456 WeakPolarHBondContact O-CD1 3.33Å; Y1452-I1456 VanDerWaalsContact O-CG1 3.29Å; Y1452-I1456 WeakPolarHBondContact O-CG1 3.17Å; Y1452-I1456 PolarHBondContact O-N 3.01Å; Q1454-I1456 PolarHBondContact O-N 3.36Å; I1456-F1458 PolarHBondContact O-N 3.33Å; I1456-L1459 PolarHBondContact O-N 3.13Å; I1456-N1460 WeakPolarHBondContact O-CB 3.45Å; I1456-N1460 PolarHBondContact O-N 3.42Å; I1456-N1460 PolarHBondContact O-ND2 3.32Å |
| 1457 | N | 79 | Confident | 77 | Confident | 82 Ų | 82 | 34.5 Ų | 34.5 | 44% | 0.439 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -62 | -40.9 | 176.5 | -173.7 | 33.9 | 0 | 0 | 0 | 112.3 | G1453 Q1454 N1460 I1461 | G1453-N1457 WeakPolarHBondContact O-CB 2.9Å; G1453-N1457 PolarHBondContact O-N 3.4Å; Q1454-N1457 PolarHBondContact O-N 3.31Å; N1457-N1460 PolarHBondContact O-N 3.4Å; N1457-I1461 VanDerWaalsContact O-CG1 3.27Å; N1457-I1461 WeakPolarHBondContact O-CG1 3.33Å; N1457-I1461 PolarHBondContact O-N 2.86Å |
| 1458 | F | 83.3 | Confident | 77.7 | Confident | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -60.4 | -48.6 | 174.4 | 172.5 | -101.5 | 0 | 0 | 0 | 112.5 | Q1454 K1455 I1456 N1460 I1461 L1462 L1485 Y1488 F1515 L1518 | Q1454-F1458 WeakPolarHBondContact O-CB 3.19Å; Q1454-F1458 PolarHBondContact O-N 3.11Å; K1455-F1458 WeakPolarHBondContact O-CB 3.39Å; K1455-F1458 PolarHBondContact O-N 2.97Å; I1456-F1458 PolarHBondContact O-N 3.33Å; F1458-N1460 VanDerWaalsContact C-N 3.32Å; F1458-N1460 PolarHBondContact O-N 3.39Å; F1458-I1461 PolarHBondContact O-N 3.4Å; F1458-L1462 HydrophobicContact CD1-CD1 4.01Å; F1458-L1462 HydrophobicContact CD1-CG 4.49Å; F1458-L1462 HydrophobicContact CE1-CD1 3.27Å; F1458-L1462 HydrophobicContact CE1-CG 4Å; F1458-L1462 HydrophobicContact CE2-CD1 4.28Å; F1458-L1462 HydrophobicContact CE2-CD2 4.43Å; F1458-L1462 HydrophobicContact CE2-CG 4.22Å; F1458-L1462 HydrophobicContact CZ-CD1 3.44Å; F1458-L1462 VanDerWaalsContact CZ-CD1 3.44Å; F1458-L1462 HydrophobicContact CZ-CD2 4.17Å; F1458-L1462 HydrophobicContact CZ-CG 3.86Å; F1458-L1462 PolarHBondContact O-N 3.25Å; F1458-L1485 HydrophobicContact CD2-CD2 3.95Å; F1458-L1485 HydrophobicContact CE2-CD2 3.79Å; F1458-Y1488 HydrophobicContact CB-CD1 4.13Å; F1458-Y1488 HydrophobicContact CB-CD2 4.12Å; F1458-Y1488 HydrophobicContact CB-CE1 3.75Å; F1458-Y1488 HydrophobicContact CB-CE2 3.74Å; F1458-Y1488 HydrophobicContact CB-CG 4.32Å; F1458-Y1488 AromaticContact CD2-CD1 3.46Å; F1458-Y1488 HydrophobicContact CD2-CD1 3.46Å; F1458-Y1488 VanDerWaalsContact CD2-CD1 3.46Å; F1458-Y1488 AromaticContact CD2-CE1 3.46Å; F1458-Y1488 HydrophobicContact CD2-CE1 3.46Å; F1458-Y1488 VanDerWaalsContact CD2-CE1 3.46Å; F1458-Y1488 HydrophobicContact CD2-CG 4.18Å; F1458-Y1488 HydrophobicContact CE2-CD1 4.32Å; F1458-Y1488 HydrophobicContact CE2-CE1 4.35Å; F1458-Y1488 HydrophobicContact CG-CD1 4.19Å; F1458-Y1488 AromaticContact CG-CE1 3.83Å; F1458-Y1488 HydrophobicContact CG-CE1 3.83Å; F1458-F1515 HydrophobicContact CB-CD1 4.39Å; F1458-F1515 AromaticContact CD1-CD1 3.63Å; F1458-F1515 HydrophobicContact CD1-CD1 3.63Å; F1458-F1515 HydrophobicContact CD1-CE1 4.37Å; F1458-F1515 HydrophobicContact CE1-CD1 4.23Å; F1458-F1515 HydrophobicContact CG-CD1 4.2Å; F1458-L1518 HydrophobicContact CE1-CD2 3.49Å; F1458-L1518 VanDerWaalsContact CE1-CD2 3.49Å; F1458-L1518 HydrophobicContact CE1-CG 3.98Å; F1458-L1518 HydrophobicContact CZ-CB 4.48Å; F1458-L1518 HydrophobicContact CZ-CD2 3.88Å; F1458-L1518 HydrophobicContact CZ-CG 3.82Å |
| 1459 | L | 83.5 | Confident | 78 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -60.9 | -43.4 | 176.3 | -63.6 | 174.6 | 0 | 0 | 0 | 110.3 | A1425 Q1428 F1432 K1455 I1456 I1461 L1462 N1463 | A1425-L1459 HydrophobicContact CB-CB 3.95Å; A1425-L1459 HydrophobicContact CB-CD2 4.42Å; A1425-L1459 WeakPolarHBondContact CB-O 3.49Å; Q1428-L1459 HydrophobicContact CB-CD1 3.69Å; F1432-L1459 HydrophobicContact CD2-CD1 4.09Å; F1432-L1459 HydrophobicContact CE2-CD1 4Å; K1455-L1459 WeakPolarHBondContact O-CG 3.47Å; K1455-L1459 PolarHBondContact O-N 3.23Å; K1455-L1459 VanDerWaalsContact O-N 3.09Å; I1456-L1459 PolarHBondContact O-N 3.13Å; L1459-I1461 VanDerWaalsContact C-N 3.33Å; L1459-I1461 PolarHBondContact O-N 2.85Å; L1459-L1462 WeakPolarHBondContact O-CB 3.16Å; L1459-L1462 PolarHBondContact O-N 2.85Å; L1459-L1462 VanDerWaalsContact O-N 3.09Å; L1459-N1463 WeakPolarHBondContact O-CB 3.45Å; L1459-N1463 PolarHBondContact O-N 3.39Å |
| 1460 | N | 82.8 | Confident | 78 | Confident | 62 Ų | 62 | 29.3 Ų | 29.3 | 33% | 0.332 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -60.2 | -37.6 | 175.2 | -71 | -14 | 0 | 0 | 0 | 113.2 | I1456 N1457 F1458 Q1464 | I1456-N1460 WeakPolarHBondContact O-CB 3.45Å; I1456-N1460 PolarHBondContact O-N 3.42Å; I1456-N1460 PolarHBondContact O-ND2 3.32Å; N1457-N1460 PolarHBondContact O-N 3.4Å; F1458-N1460 VanDerWaalsContact C-N 3.32Å; F1458-N1460 PolarHBondContact O-N 3.39Å; N1460-Q1464 WeakPolarHBondContact O-CB 3.43Å; N1460-Q1464 VanDerWaalsContact O-CG 3.31Å; N1460-Q1464 WeakPolarHBondContact O-CG 2.92Å; N1460-Q1464 PolarHBondContact O-N 2.89Å |
| 1461 | I | 82.3 | Confident | 77.4 | Confident | 14 Ų | 14 | 32.1 Ų | 32.1 | 7% | 0.072 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -69.8 | -36.4 | 174.7 | -62.2 | 159.7 | 0 | 0 | 0 | 111 | N1457 F1458 L1459 L1465 N1484 L1485 | N1457-I1461 VanDerWaalsContact O-CG1 3.27Å; N1457-I1461 WeakPolarHBondContact O-CG1 3.33Å; N1457-I1461 PolarHBondContact O-N 2.86Å; F1458-I1461 PolarHBondContact O-N 3.4Å; L1459-I1461 VanDerWaalsContact C-N 3.33Å; L1459-I1461 PolarHBondContact O-N 2.85Å; I1461-L1465 HydrophobicContact CG2-CD1 4.5Å; I1461-L1465 WeakPolarHBondContact O-CB 2.84Å; I1461-L1465 PolarHBondContact O-N 3.36Å; I1461-N1484 HydrophobicContact CG2-CB 4.18Å; I1461-L1485 HydrophobicContact CB-CD2 3.99Å; I1461-L1485 HydrophobicContact CG2-CD2 3.49Å; I1461-L1485 VanDerWaalsContact CG2-CD2 3.49Å; I1461-L1485 HydrophobicContact CG2-CG 3.75Å |
| 1462 | L | 83.2 | Confident | 76.5 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -65 | -44.6 | 172.7 | -72 | -178.5 | 0 | 0 | 0 | 112.4 | L1409 A1425 F1458 L1459 L1465 S1466 L1485 F1522 | L1409-L1462 HydrophobicContact CD1-CD1 3.66Å; L1409-L1462 HydrophobicContact CD2-CD1 3.97Å; L1409-L1462 HydrophobicContact CG-CD1 4.5Å; A1425-L1462 HydrophobicContact CB-CB 4.38Å; F1458-L1462 HydrophobicContact CD1-CD1 4.01Å; F1458-L1462 HydrophobicContact CD1-CG 4.49Å; F1458-L1462 HydrophobicContact CE1-CD1 3.27Å; F1458-L1462 HydrophobicContact CE1-CG 4Å; F1458-L1462 HydrophobicContact CE2-CD1 4.28Å; F1458-L1462 HydrophobicContact CE2-CD2 4.43Å; F1458-L1462 HydrophobicContact CE2-CG 4.22Å; F1458-L1462 HydrophobicContact CZ-CD1 3.44Å; F1458-L1462 VanDerWaalsContact CZ-CD1 3.44Å; F1458-L1462 HydrophobicContact CZ-CD2 4.17Å; F1458-L1462 HydrophobicContact CZ-CG 3.86Å; F1458-L1462 PolarHBondContact O-N 3.25Å; L1459-L1462 WeakPolarHBondContact O-CB 3.16Å; L1459-L1462 PolarHBondContact O-N 2.85Å; L1459-L1462 VanDerWaalsContact O-N 3.09Å; L1462-L1465 PolarHBondContact O-N 3.15Å; L1462-S1466 PolarHBondContact O-N 3.45Å; L1462-S1466 PolarHBondContact O-OG 3.35Å; L1462-L1485 HydrophobicContact CD2-CD1 4.02Å; L1462-L1485 HydrophobicContact CD2-CD2 4.1Å; L1462-L1485 HydrophobicContact CG-CD2 4.44Å; L1462-F1522 HydrophobicContact CD2-CD1 3.58Å; L1462-F1522 HydrophobicContact CD2-CD2 4.06Å; L1462-F1522 HydrophobicContact CD2-CE1 3.43Å; L1462-F1522 VanDerWaalsContact CD2-CE1 3.43Å; L1462-F1522 HydrophobicContact CD2-CE2 3.93Å; L1462-F1522 HydrophobicContact CD2-CG 3.9Å; L1462-F1522 HydrophobicContact CD2-CZ 3.62Å |
| 1463 | N | 83.3 | Confident | 75.6 | Confident | 26 Ų | 26 | 42.8 Ų | 42.8 | 14% | 0.139 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -56.5 | -48.7 | 173.6 | 174.9 | -25 | 0 | 0 | 0 | 110.8 | S1422 A1425 T1426 L1459 L1465 S1466 N1467 | S1422-N1463 PolarHBondContact OG-OD1 2.94Å; A1425-N1463 HydrophobicContact CB-CB 3.81Å; T1426-N1463 WeakPolarHBondContact CG2-ND2 3.22Å; L1459-N1463 WeakPolarHBondContact O-CB 3.45Å; L1459-N1463 PolarHBondContact O-N 3.39Å; N1463-L1465 PolarHBondContact O-N 2.9Å; N1463-S1466 VanDerWaalsContact CA-OG 3.29Å; N1463-S1466 WeakPolarHBondContact CA-OG 3.4Å; N1463-S1466 PolarHBondContact O-N 3.08Å; N1463-S1466 PolarHBondContact O-OG 3.35Å; N1463-N1467 WeakPolarHBondContact O-CB 3.23Å; N1463-N1467 PolarHBondContact O-N 2.89Å; N1463-N1467 PolarHBondContact O-ND2 3.46Å; N1463-N1467 PolarHBondContact O-OD1 3.47Å; N1463-N1467 PolarHBondContact OD1-ND2 3.34Å |
| 1464 | Q | 81.3 | Confident | 75.1 | Confident | 54 Ų | 54 | 43.2 Ų | 43.2 | 25% | 0.252 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -61.6 | -44.2 | 174.3 | -71.1 | -175.3 | 0.7 | 0 | 0 | 112 | N1460 S1466 N1467 H1468 L1481 | N1460-Q1464 WeakPolarHBondContact O-CB 3.43Å; N1460-Q1464 VanDerWaalsContact O-CG 3.31Å; N1460-Q1464 WeakPolarHBondContact O-CG 2.92Å; N1460-Q1464 PolarHBondContact O-N 2.89Å; Q1464-S1466 PolarHBondContact O-N 3Å; Q1464-N1467 PolarHBondContact O-N 3.18Å; Q1464-H1468 PolarHBondContact O-CD2 3.01Å; Q1464-H1468 PolarHBondContact O-N 3.12Å; Q1464-L1481 HydrophobicContact CB-CD1 3.84Å |
| 1465 | L | 79 | Confident | 74.6 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -60 | -46.8 | 176.9 | -97.3 | 163.7 | 0 | 0 | 0 | 112.7 | I1461 L1462 N1463 H1468 L1469 L1481 I1482 L1485 F1522 | I1461-L1465 HydrophobicContact CG2-CD1 4.5Å; I1461-L1465 WeakPolarHBondContact O-CB 2.84Å; I1461-L1465 PolarHBondContact O-N 3.36Å; L1462-L1465 PolarHBondContact O-N 3.15Å; N1463-L1465 PolarHBondContact O-N 2.9Å; L1465-H1468 PolarHBondContact O-N 2.95Å; L1465-L1469 HydrophobicContact CD2-CD1 4.47Å; L1465-L1469 VanDerWaalsContact O-CG 3.27Å; L1465-L1469 WeakPolarHBondContact O-CG 3.35Å; L1465-L1469 PolarHBondContact O-N 3.49Å; L1465-L1481 HydrophobicContact CD1-CB 4.17Å; L1465-L1481 HydrophobicContact CD2-CB 3.71Å; L1465-L1481 HydrophobicContact CD2-CD1 4.35Å; L1465-L1481 HydrophobicContact CG-CB 3.57Å; L1465-L1481 HydrophobicContact CG-CD1 4.09Å; L1465-I1482 HydrophobicContact CD1-CG1 4.32Å; L1465-I1482 HydrophobicContact CD2-CG1 4Å; L1465-L1485 HydrophobicContact CD1-CD1 3.32Å; L1465-L1485 HydrophobicContact CD1-CG 3.67Å; L1465-F1522 HydrophobicContact CD1-CE1 4.35Å |
| 1466 | S | 77.9 | Confident | 73.9 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61.8 | -47.7 | 178.4 | 32 | 0 | 0 | 0 | 0 | 111.3 | W1418 S1422 L1462 N1463 Q1464 H1468 L1469 T1470 | W1418-S1466 WeakPolarHBondContact O-CB 3.25Å; S1422-S1466 WeakPolarHBondContact CA-OG 3.26Å; S1422-S1466 WeakPolarHBondContact CB-OG 3.47Å; S1422-S1466 PolarHBondContact N-OG 3.21Å; L1462-S1466 PolarHBondContact O-N 3.45Å; L1462-S1466 PolarHBondContact O-OG 3.35Å; N1463-S1466 VanDerWaalsContact CA-OG 3.29Å; N1463-S1466 WeakPolarHBondContact CA-OG 3.4Å; N1463-S1466 PolarHBondContact O-N 3.08Å; N1463-S1466 PolarHBondContact O-OG 3.35Å; Q1464-S1466 PolarHBondContact O-N 3Å; S1466-H1468 PolarHBondContact O-N 3.21Å; S1466-H1468 VanDerWaalsContact O-N 3.1Å; S1466-L1469 CarbonylContact O-C 3.18Å; S1466-L1469 PolarHBondContact O-N 2.74Å; S1466-T1470 WeakPolarHBondContact O-CG2 3.49Å; S1466-T1470 PolarHBondContact O-N 3.19Å; S1466-T1470 PolarHBondContact O-OG1 3.31Å |
| 1467 | N | 77.8 | Confident | 73.5 | Confident | 60 Ų | 60 | 45.3 Ų | 45.3 | 32% | 0.321 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -62.4 | -19.2 | -179.4 | -64.4 | -12.9 | 0 | 0 | 0 | 114.3 | S1422 N1463 Q1464 T1470 | S1422-N1467 WeakPolarHBondContact CB-OD1 3.32Å; S1422-N1467 PolarHBondContact OG-OD1 2.7Å; N1463-N1467 WeakPolarHBondContact O-CB 3.23Å; N1463-N1467 PolarHBondContact O-N 2.89Å; N1463-N1467 PolarHBondContact O-ND2 3.46Å; N1463-N1467 PolarHBondContact O-OD1 3.47Å; N1463-N1467 PolarHBondContact OD1-ND2 3.34Å; Q1464-N1467 PolarHBondContact O-N 3.18Å; N1467-T1470 WeakPolarHBondContact CA-OG1 3.13Å; N1467-T1470 PolarHBondContact O-OG1 3.19Å |
| 1468 | H | 73.5 | Confident | 73.1 | Confident | 34 Ų | 34 | 41.5 Ų | 41.5 | 16% | 0.157 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -89.3 | -37.3 | 169.1 | -71.1 | -53.1 | 0 | 0 | 0 | 113.4 | L791 Q1464 L1465 S1466 T1470 H1471 E1472 Y1477 | L791-H1468 WeakPolarHBondContact CD1-CE1 3.39Å; L791-H1468 WeakPolarHBondContact CD1-NE2 3.45Å; L791-H1468 WeakPolarHBondContact CD2-CE1 3.49Å; Q1464-H1468 PolarHBondContact O-CD2 3.01Å; Q1464-H1468 PolarHBondContact O-N 3.12Å; L1465-H1468 PolarHBondContact O-N 2.95Å; S1466-H1468 PolarHBondContact O-N 3.21Å; S1466-H1468 VanDerWaalsContact O-N 3.1Å; H1468-T1470 PolarHBondContact O-N 3.34Å; H1468-H1471 PolarHBondContact O-N 3.07Å; H1468-E1472 CarbonylContact O-C 3.56Å; H1468-E1472 PolarHBondContact O-N 2.94Å; H1468-E1472 VanDerWaalsContact O-N 3.17Å; H1468-Y1477 AromaticContact CD2-CD1 3.7Å; H1468-Y1477 AromaticContact CD2-CE1 3.51Å; H1468-Y1477 AromaticContact NE2-CE1 3.61Å |
| 1469 | L | 70.3 | Confident | 72.7 | Confident | 19 Ų | 19 | 42.7 Ų | 42.7 | 10% | 0.099 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -70.3 | -16.9 | 174.6 | -64.3 | 169.5 | 0 | 0 | 0 | 112.9 | W1418 L1465 S1466 I1526 I1532 | W1418-L1469 HydrophobicContact CB-CB 4.33Å; W1418-L1469 HydrophobicContact CD2-CB 3.92Å; W1418-L1469 HydrophobicContact CD2-CD1 3.98Å; W1418-L1469 HydrophobicContact CE3-CD1 4.14Å; W1418-L1469 HydrophobicContact CG-CB 3.67Å; W1418-L1469 HydrophobicContact CH2-CD1 4.18Å; W1418-L1469 HydrophobicContact CZ2-CD1 4.01Å; W1418-L1469 HydrophobicContact CZ3-CD1 4.24Å; L1465-L1469 HydrophobicContact CD2-CD1 4.47Å; L1465-L1469 VanDerWaalsContact O-CG 3.27Å; L1465-L1469 WeakPolarHBondContact O-CG 3.35Å; L1465-L1469 PolarHBondContact O-N 3.49Å; S1466-L1469 CarbonylContact O-C 3.18Å; S1466-L1469 PolarHBondContact O-N 2.74Å; L1469-I1526 HydrophobicContact CD1-CD1 4.39Å; L1469-I1532 HydrophobicContact CD2-CG2 4.2Å |
| 1470 | T | 67 | Low | 72.5 | Confident | 41 Ų | 41 | 46.3 Ų | 46.3 | 25% | 0.252 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -83.1 | -34.9 | 169.7 | 53.5 | 0 | 0 | 0 | 0 | 114.4 | W1418 C1419 S1466 N1467 H1468 | W1418-T1470 HydrophobicContact CB-CG2 3.57Å; C1419-T1470 HydrophobicContact CB-CG2 4.48Å; C1419-T1470 VanDerWaalsContact SG-CG2 3.52Å; S1466-T1470 WeakPolarHBondContact O-CG2 3.49Å; S1466-T1470 PolarHBondContact O-N 3.19Å; S1466-T1470 PolarHBondContact O-OG1 3.31Å; N1467-T1470 WeakPolarHBondContact CA-OG1 3.13Å; N1467-T1470 PolarHBondContact O-OG1 3.19Å; H1468-T1470 PolarHBondContact O-N 3.34Å |
| 1471 | H | 56.4 | Low | 72.3 | Confident | 134 Ų | 134 | 43.4 Ų | 43.4 | 62% | 0.62 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -119.9 | -39 | -160.4 | -68.4 | -24 | 0 | 0 | 0 | 115.8 | H1468 | H1468-H1471 PolarHBondContact O-N 3.07Å |
| 1472 | E | 52.7 | Low | 72.1 | Confident | 159 Ų | 159 | 42.8 Ų | 42.8 | 74% | 0.743 | 22% | 0.215 | S | C | * | . | trans | -158 | 111.8 | 177.2 | -120.7 | 174 | -136.7 | 0 | 0 | 111 | H1468 N1474 | H1468-E1472 CarbonylContact O-C 3.56Å; H1468-E1472 PolarHBondContact O-N 2.94Å; H1468-E1472 VanDerWaalsContact O-N 3.17Å; E1472-N1474 VanDerWaalsContact C-N 3.31Å; E1472-N1474 PolarHBondContact O-N 3.24Å | ||
| 1473 | I | 59.4 | Low | 72 | Confident | 109 Ų | 109 | 45.3 Ų | 45.3 | 56% | 0.559 | 23% | 0.229 | S | C | * | . | trans | -78.8 | 81.3 | -177.2 | -50.7 | 178.1 | 0 | 0 | 0 | 109.7 | P1475 | I1473-P1475 WeakPolarHBondContact O-CD 3.49Š| ||
| 1474 | N | 65.4 | Low | 71.9 | Confident | 47 Ų | 47 | 46.8 Ų | 46.8 | 25% | 0.251 | 24% | 0.236 | S | C | . | . | trans | -83.2 | 100.1 | 160.2 | 179.1 | -15.5 | 0 | 0 | 0 | 108.3 | E1472 N1476 Y1477 C1478 | E1472-N1474 VanDerWaalsContact C-N 3.31Å; E1472-N1474 PolarHBondContact O-N 3.24Å; N1474-N1476 PolarHBondContact O-N 3.24Å; N1474-N1476 VanDerWaalsContact O-N 3.1Å; N1474-N1476 PolarHBondContact OD1-N 3.31Å; N1474-Y1477 PolarHBondContact O-N 3.29Å; N1474-Y1477 VanDerWaalsContact O-N 3.1Å; N1474-Y1477 PolarHBondContact OD1-N 3.15Å; N1474-C1478 PolarHBondContact O-N 2.94Å; N1474-C1478 PolarHBondContact O-SG 3.28Å | ||
| 1475 | P | 65.6 | Low | 71.8 | Confident | 42 Ų | 42 | 44.2 Ų | 44.2 | 27% | 0.273 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -63.1 | -24.6 | -171.7 | 27.1 | -36.1 | 0 | 0 | 0 | 112.6 | I1473 L1479 F1533 | I1473-P1475 WeakPolarHBondContact O-CD 3.49Å; P1475-L1479 WeakPolarHBondContact O-CB 3.4Å; P1475-L1479 PolarHBondContact O-N 3.37Å; P1475-F1533 HydrophobicContact CB-CD1 4.33Å; P1475-F1533 WeakPolarHBondContact O-CE1 3.37Å |
| 1476 | N | 68.2 | Low | 71.7 | Confident | 55 Ų | 55 | 44.4 Ų | 44.4 | 29% | 0.294 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -77.8 | -35.1 | 178.4 | -64.5 | -20.7 | 0 | 0 | 0 | 112.3 | Y794 N1474 L1479 Q1480 | Y794-N1476 HydrophobicContact CD1-CB 4.13Å; Y794-N1476 HydrophobicContact CD2-CB 3.83Å; Y794-N1476 HydrophobicContact CE2-CB 4.48Å; Y794-N1476 WeakPolarHBondContact CE2-O 3.16Å; Y794-N1476 HydrophobicContact CG-CB 3.62Å; N1474-N1476 PolarHBondContact O-N 3.24Å; N1474-N1476 VanDerWaalsContact O-N 3.1Å; N1474-N1476 PolarHBondContact OD1-N 3.31Å; N1476-L1479 WeakPolarHBondContact O-CB 3.47Å; N1476-L1479 PolarHBondContact O-N 3.07Å; N1476-Q1480 PolarHBondContact O-N 3.43Å |
| 1477 | Y | 72.8 | Confident | 71.8 | Confident | 14 Ų | 14 | 48 Ų | 48 | 6% | 0.055 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -74.6 | -38.2 | 173.3 | -165 | -98.6 | 0 | 0 | 0 | 111.4 | L791 H1468 N1474 L1479 Q1480 L1481 | L791-Y1477 HydrophobicContact CD1-CE1 3.85Å; L791-Y1477 HydrophobicContact CD2-CD1 3.59Å; L791-Y1477 HydrophobicContact CD2-CD2 4.24Å; L791-Y1477 HydrophobicContact CD2-CE1 3.51Å; L791-Y1477 HydrophobicContact CD2-CE2 4.2Å; L791-Y1477 HydrophobicContact CD2-CG 3.96Å; L791-Y1477 HydrophobicContact CG-CD1 4.25Å; L791-Y1477 HydrophobicContact CG-CE1 3.68Å; L791-Y1477 HydrophobicContact CG-CE2 4Å; H1468-Y1477 AromaticContact CD2-CD1 3.7Å; H1468-Y1477 AromaticContact CD2-CE1 3.51Å; H1468-Y1477 AromaticContact NE2-CE1 3.61Å; N1474-Y1477 PolarHBondContact O-N 3.29Å; N1474-Y1477 VanDerWaalsContact O-N 3.1Å; N1474-Y1477 PolarHBondContact OD1-N 3.15Å; Y1477-L1479 VanDerWaalsContact C-N 3.3Å; Y1477-L1479 PolarHBondContact O-N 3.3Å; Y1477-Q1480 WeakPolarHBondContact O-CB 2.82Å; Y1477-Q1480 PolarHBondContact O-N 3.21Å; Y1477-Q1480 VanDerWaalsContact O-N 3.09Å; Y1477-L1481 HydrophobicContact CD1-CD1 4.03Å; Y1477-L1481 HydrophobicContact CD1-CG 4.12Å; Y1477-L1481 HydrophobicContact CE1-CD1 3.63Å; Y1477-L1481 HydrophobicContact CE1-CD2 4.08Å; Y1477-L1481 HydrophobicContact CE1-CG 3.79Å; Y1477-L1481 PolarHBondContact O-N 3.45Å |
| 1478 | C | 70.1 | Confident | 71.9 | Confident | 1 Ų | 1 | 45.5 Ų | 45.5 | 1% | 0.007 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -60 | -39.9 | 169.6 | -64.7 | 0 | 0 | 0 | 0 | 111.8 | N1474 L1481 I1482 F1533 | N1474-C1478 PolarHBondContact O-N 2.94Å; N1474-C1478 PolarHBondContact O-SG 3.28Å; C1478-L1481 PolarHBondContact O-N 2.78Å; C1478-I1482 WeakPolarHBondContact O-CG1 3.17Å; C1478-I1482 PolarHBondContact O-N 3.39Å; C1478-F1533 HydrophobicContact CB-CE1 4.19Å; C1478-F1533 HydrophobicContact CB-CZ 4.12Å |
| 1479 | L | 74 | Confident | 71.9 | Confident | 25 Ų | 25 | 43.9 Ų | 43.9 | 13% | 0.131 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -59.7 | -44.9 | 170.7 | 173.8 | 64.3 | 0 | 0 | 0 | 111.3 | P1475 N1476 Y1477 L1481 I1482 L1483 F1533 I1537 L1541 | P1475-L1479 WeakPolarHBondContact O-CB 3.4Å; P1475-L1479 PolarHBondContact O-N 3.37Å; N1476-L1479 WeakPolarHBondContact O-CB 3.47Å; N1476-L1479 PolarHBondContact O-N 3.07Å; Y1477-L1479 VanDerWaalsContact C-N 3.3Å; Y1477-L1479 PolarHBondContact O-N 3.3Å; L1479-L1481 VanDerWaalsContact C-N 3.35Å; L1479-L1481 PolarHBondContact O-N 2.76Å; L1479-I1482 PolarHBondContact O-N 3.09Å; L1479-L1483 HydrophobicContact CD1-CD1 4.14Å; L1479-L1483 HydrophobicContact CD1-CG 4.25Å; L1479-L1483 HydrophobicContact CG-CD1 4.06Å; L1479-L1483 WeakPolarHBondContact O-CB 3.25Å; L1479-L1483 VanDerWaalsContact O-CG 3.27Å; L1479-L1483 WeakPolarHBondContact O-CG 3.13Å; L1479-L1483 PolarHBondContact O-N 2.97Å; L1479-F1533 HydrophobicContact CB-CE1 4.39Å; L1479-I1537 HydrophobicContact CD1-CG2 4.01Å; L1479-I1537 HydrophobicContact CD2-CG2 4.04Å; L1479-L1541 HydrophobicContact CD1-CD1 3.94Å; L1479-L1541 HydrophobicContact CD1-CD2 3.74Å; L1479-L1541 HydrophobicContact CD1-CG 4Å |
| 1480 | Q | 79.7 | Confident | 72 | Confident | 77 Ų | 77 | 45 Ų | 45 | 36% | 0.36 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -59.9 | -42.4 | 177.1 | -159.8 | 177.5 | -6 | 0 | 0 | 112.5 | Y794 N1476 Y1477 L1483 N1484 | Y794-Q1480 HydrophobicContact CE2-CB 4Å; Y794-Q1480 HydrophobicContact CE2-CG 4.24Å; N1476-Q1480 PolarHBondContact O-N 3.43Å; Y1477-Q1480 WeakPolarHBondContact O-CB 2.82Å; Y1477-Q1480 PolarHBondContact O-N 3.21Å; Y1477-Q1480 VanDerWaalsContact O-N 3.09Å; Q1480-L1483 CarbonylContact O-C 3.34Å; Q1480-L1483 PolarHBondContact O-N 2.94Å; Q1480-N1484 VanDerWaalsContact O-CG 3.28Å; Q1480-N1484 PolarHBondContact O-N 2.71Å |
| 1481 | L | 78.9 | Confident | 72.3 | Confident | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.005 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -75.8 | -31.3 | 178.9 | -61.5 | -177.5 | 0 | 0 | 0 | 113.3 | Q1464 L1465 Y1477 C1478 L1479 L1483 N1484 L1485 | Q1464-L1481 HydrophobicContact CB-CD1 3.84Å; L1465-L1481 HydrophobicContact CD1-CB 4.17Å; L1465-L1481 HydrophobicContact CD2-CB 3.71Å; L1465-L1481 HydrophobicContact CD2-CD1 4.35Å; L1465-L1481 HydrophobicContact CG-CB 3.57Å; L1465-L1481 HydrophobicContact CG-CD1 4.09Å; Y1477-L1481 HydrophobicContact CD1-CD1 4.03Å; Y1477-L1481 HydrophobicContact CD1-CG 4.12Å; Y1477-L1481 HydrophobicContact CE1-CD1 3.63Å; Y1477-L1481 HydrophobicContact CE1-CD2 4.08Å; Y1477-L1481 HydrophobicContact CE1-CG 3.79Å; Y1477-L1481 PolarHBondContact O-N 3.45Å; C1478-L1481 PolarHBondContact O-N 2.78Å; L1479-L1481 VanDerWaalsContact C-N 3.35Å; L1479-L1481 PolarHBondContact O-N 2.76Å; L1481-L1483 VanDerWaalsContact C-N 3.35Å; L1481-N1484 CarbonylContact O-C 3.49Å; L1481-N1484 WeakPolarHBondContact O-CA 3.28Å; L1481-N1484 WeakPolarHBondContact O-CB 3.14Å; L1481-N1484 PolarHBondContact O-N 3.49Å; L1481-N1484 VanDerWaalsContact O-N 3.11Å; L1481-L1485 PolarHBondContact O-N 2.86Å |
| 1482 | I | 77.1 | Confident | 72.8 | Confident | 1 Ų | 1 | 41.6 Ų | 41.6 | 1% | 0.005 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -66 | -40.2 | 169 | -69.6 | 170.8 | 0 | 0 | 0 | 110.4 | L1465 C1478 L1479 N1484 L1485 F1486 I1523 I1526 F1533 L1541 | L1465-I1482 HydrophobicContact CD1-CG1 4.32Å; L1465-I1482 HydrophobicContact CD2-CG1 4Å; C1478-I1482 WeakPolarHBondContact O-CG1 3.17Å; C1478-I1482 PolarHBondContact O-N 3.39Å; L1479-I1482 PolarHBondContact O-N 3.09Å; I1482-N1484 PolarHBondContact O-N 2.92Å; I1482-L1485 PolarHBondContact O-N 3.25Å; I1482-L1485 VanDerWaalsContact O-N 3.14Å; I1482-F1486 HydrophobicContact CG2-CD2 4Å; I1482-F1486 HydrophobicContact CG2-CE2 3.82Å; I1482-F1486 WeakPolarHBondContact O-CD2 3.29Å; I1482-F1486 PolarHBondContact O-N 2.89Å; I1482-I1523 HydrophobicContact CG2-CG1 4.42Å; I1482-I1523 HydrophobicContact CG2-CG2 4.38Å; I1482-I1526 HydrophobicContact CD1-CG2 3.91Å; I1482-F1533 HydrophobicContact CD1-CE1 4.5Å; I1482-F1533 HydrophobicContact CD1-CE2 3.77Å; I1482-F1533 HydrophobicContact CD1-CZ 3.45Å; I1482-F1533 VanDerWaalsContact CD1-CZ 3.45Å; I1482-L1541 HydrophobicContact CG2-CD2 3.82Å |
| 1483 | L | 81.5 | Confident | 73.5 | Confident | 53 Ų | 53 | 34.3 Ų | 34.3 | 28% | 0.277 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -62.3 | -32.1 | 169.5 | -70.5 | 170 | 0 | 0 | 0 | 111.3 | L1479 Q1480 L1481 F1486 N1487 L1544 | L1479-L1483 HydrophobicContact CD1-CD1 4.14Å; L1479-L1483 HydrophobicContact CD1-CG 4.25Å; L1479-L1483 HydrophobicContact CG-CD1 4.06Å; L1479-L1483 WeakPolarHBondContact O-CB 3.25Å; L1479-L1483 VanDerWaalsContact O-CG 3.27Å; L1479-L1483 WeakPolarHBondContact O-CG 3.13Å; L1479-L1483 PolarHBondContact O-N 2.97Å; Q1480-L1483 CarbonylContact O-C 3.34Å; Q1480-L1483 PolarHBondContact O-N 2.94Å; L1481-L1483 VanDerWaalsContact C-N 3.35Å; L1483-F1486 HydrophobicContact CD2-CD2 4.48Å; L1483-F1486 PolarHBondContact O-N 3.41Å; L1483-N1487 VanDerWaalsContact O-CB 3.29Å; L1483-N1487 WeakPolarHBondContact O-CB 3.33Å; L1483-N1487 PolarHBondContact O-N 2.81Å; L1483-N1487 PolarHBondContact O-ND2 2.99Å; L1483-L1544 HydrophobicContact CD2-CD1 4.05Å |
| 1484 | N | 80.8 | Confident | 73.8 | Confident | 56 Ų | 56 | 33.6 Ų | 33.6 | 30% | 0.299 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -71.4 | -30.7 | 171.2 | -69.7 | -18.9 | 0 | 0 | 0 | 113.6 | I1461 Q1480 L1481 I1482 Y1488 | I1461-N1484 HydrophobicContact CG2-CB 4.18Å; Q1480-N1484 VanDerWaalsContact O-CG 3.28Å; Q1480-N1484 PolarHBondContact O-N 2.71Å; L1481-N1484 CarbonylContact O-C 3.49Å; L1481-N1484 WeakPolarHBondContact O-CA 3.28Å; L1481-N1484 WeakPolarHBondContact O-CB 3.14Å; L1481-N1484 PolarHBondContact O-N 3.49Å; L1481-N1484 VanDerWaalsContact O-N 3.11Å; I1482-N1484 PolarHBondContact O-N 2.92Å; N1484-Y1488 VanDerWaalsContact O-CB 3.32Å; N1484-Y1488 WeakPolarHBondContact O-CB 3.3Å; N1484-Y1488 PolarHBondContact O-N 2.58Å |
| 1485 | L | 78.9 | Confident | 73.7 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -69.2 | -40.1 | 168.8 | -74.4 | -176.7 | 0 | 0 | 0 | 112 | F1458 I1461 L1462 L1465 L1481 I1482 Y1488 S1489 F1522 I1523 | F1458-L1485 HydrophobicContact CD2-CD2 3.95Å; F1458-L1485 HydrophobicContact CE2-CD2 3.79Å; I1461-L1485 HydrophobicContact CB-CD2 3.99Å; I1461-L1485 HydrophobicContact CG2-CD2 3.49Å; I1461-L1485 VanDerWaalsContact CG2-CD2 3.49Å; I1461-L1485 HydrophobicContact CG2-CG 3.75Å; L1462-L1485 HydrophobicContact CD2-CD1 4.02Å; L1462-L1485 HydrophobicContact CD2-CD2 4.1Å; L1462-L1485 HydrophobicContact CG-CD2 4.44Å; L1465-L1485 HydrophobicContact CD1-CD1 3.32Å; L1465-L1485 HydrophobicContact CD1-CG 3.67Å; L1481-L1485 PolarHBondContact O-N 2.86Å; I1482-L1485 PolarHBondContact O-N 3.25Å; I1482-L1485 VanDerWaalsContact O-N 3.14Å; L1485-Y1488 PolarHBondContact O-N 3.01Å; L1485-S1489 PolarHBondContact O-N 2.81Å; L1485-S1489 PolarHBondContact O-OG 2.74Å; L1485-F1522 HydrophobicContact CD1-CD1 3.88Å; L1485-F1522 HydrophobicContact CD1-CE1 4.18Å; L1485-I1523 HydrophobicContact CB-CD1 3.91Å; L1485-I1523 HydrophobicContact CD1-CD1 4.28Å; L1485-I1523 HydrophobicContact CD1-CG1 4.07Å |
| 1486 | F | 78.3 | Confident | 73.5 | Confident | 5 Ų | 5 | 31 Ų | 31 | 2% | 0.022 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -62.9 | -46.3 | 171.2 | -74.7 | -49.5 | 0 | 0 | 0 | 110.8 | I1482 L1483 Y1488 S1489 F1490 I1523 L1541 L1544 L1545 T1548 | I1482-F1486 HydrophobicContact CG2-CD2 4Å; I1482-F1486 HydrophobicContact CG2-CE2 3.82Å; I1482-F1486 WeakPolarHBondContact O-CD2 3.29Å; I1482-F1486 PolarHBondContact O-N 2.89Å; L1483-F1486 HydrophobicContact CD2-CD2 4.48Å; L1483-F1486 PolarHBondContact O-N 3.41Å; F1486-Y1488 VanDerWaalsContact C-N 3.33Å; F1486-Y1488 PolarHBondContact O-N 3Å; F1486-S1489 WeakPolarHBondContact CA-OG 3Å; F1486-S1489 PolarHBondContact O-N 3.38Å; F1486-S1489 PolarHBondContact O-OG 2.81Å; F1486-F1490 HydrophobicContact CB-CD2 4.32Å; F1486-F1490 HydrophobicContact CB-CE2 4.36Å; F1486-F1490 VanDerWaalsContact O-CB 3.32Å; F1486-F1490 WeakPolarHBondContact O-CB 3.33Å; F1486-F1490 WeakPolarHBondContact O-CD2 3.47Å; F1486-F1490 WeakPolarHBondContact O-CG 3.22Å; F1486-F1490 PolarHBondContact O-N 3.37Å; F1486-I1523 HydrophobicContact CD1-CD1 3.79Å; F1486-I1523 HydrophobicContact CE1-CD1 3.67Å; F1486-I1523 HydrophobicContact CE1-CG2 4.26Å; F1486-I1523 HydrophobicContact CE2-CD1 4.42Å; F1486-I1523 HydrophobicContact CE2-CG2 4.34Å; F1486-I1523 HydrophobicContact CG-CD1 4.26Å; F1486-I1523 HydrophobicContact CZ-CD1 4.03Å; F1486-I1523 HydrophobicContact CZ-CG2 3.75Å; F1486-L1541 HydrophobicContact CE2-CD2 3.93Å; F1486-L1544 HydrophobicContact CD2-CB 4.44Å; F1486-L1544 HydrophobicContact CE2-CB 3.84Å; F1486-L1544 HydrophobicContact CZ-CB 4.01Å; F1486-L1545 HydrophobicContact CE1-CD1 4.23Å; F1486-L1545 HydrophobicContact CZ-CB 4.15Å; F1486-T1548 HydrophobicContact CD1-CG2 3.65Å; F1486-T1548 HydrophobicContact CE1-CG2 3.96Å; F1486-T1548 WeakPolarHBondContact CE1-OG1 3.44Å; F1486-T1548 HydrophobicContact CG-CG2 4.43Å |
| 1487 | N | 78.5 | Confident | 72.8 | Confident | 75 Ų | 75 | 29.5 Ų | 29.5 | 40% | 0.401 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -62.8 | -36.4 | 174.4 | -69.3 | -25.2 | 0 | 0 | 0 | 112.1 | L1483 N1491 | L1483-N1487 VanDerWaalsContact O-CB 3.29Å; L1483-N1487 WeakPolarHBondContact O-CB 3.33Å; L1483-N1487 PolarHBondContact O-N 2.81Å; L1483-N1487 PolarHBondContact O-ND2 2.99Å; N1487-N1491 WeakPolarHBondContact O-CA 3.49Å; N1487-N1491 WeakPolarHBondContact O-CB 3.11Å; N1487-N1491 PolarHBondContact O-N 3.08Å; N1487-N1491 PolarHBondContact O-ND2 3.32Å; N1487-N1491 VanDerWaalsContact O-ND2 3.17Å |
| 1488 | Y | 80.4 | Confident | 71.9 | Confident | 7 Ų | 7 | 32.4 Ų | 32.4 | 3% | 0.027 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -61.8 | -48.3 | 172.8 | 165.7 | -94.9 | 0 | 0 | 0 | 111.1 | Q1454 F1458 N1484 L1485 F1486 N1491 S1492 | Q1454-Y1488 HydrophobicContact CB-CE2 3.99Å; Q1454-Y1488 HydrophobicContact CG-CE2 4.45Å; Q1454-Y1488 WeakPolarHBondContact O-CE2 3.15Å; F1458-Y1488 HydrophobicContact CB-CD1 4.13Å; F1458-Y1488 HydrophobicContact CB-CD2 4.12Å; F1458-Y1488 HydrophobicContact CB-CE1 3.75Å; F1458-Y1488 HydrophobicContact CB-CE2 3.74Å; F1458-Y1488 HydrophobicContact CB-CG 4.32Å; F1458-Y1488 AromaticContact CD2-CD1 3.46Å; F1458-Y1488 HydrophobicContact CD2-CD1 3.46Å; F1458-Y1488 VanDerWaalsContact CD2-CD1 3.46Å; F1458-Y1488 AromaticContact CD2-CE1 3.46Å; F1458-Y1488 HydrophobicContact CD2-CE1 3.46Å; F1458-Y1488 VanDerWaalsContact CD2-CE1 3.46Å; F1458-Y1488 HydrophobicContact CD2-CG 4.18Å; F1458-Y1488 HydrophobicContact CE2-CD1 4.32Å; F1458-Y1488 HydrophobicContact CE2-CE1 4.35Å; F1458-Y1488 HydrophobicContact CG-CD1 4.19Å; F1458-Y1488 AromaticContact CG-CE1 3.83Å; F1458-Y1488 HydrophobicContact CG-CE1 3.83Å; N1484-Y1488 VanDerWaalsContact O-CB 3.32Å; N1484-Y1488 WeakPolarHBondContact O-CB 3.3Å; N1484-Y1488 PolarHBondContact O-N 2.58Å; L1485-Y1488 PolarHBondContact O-N 3.01Å; F1486-Y1488 VanDerWaalsContact C-N 3.33Å; F1486-Y1488 PolarHBondContact O-N 3Å; Y1488-N1491 PolarHBondContact O-N 3.4Å; Y1488-S1492 WeakPolarHBondContact CE2-OG 3.16Å; Y1488-S1492 VanDerWaalsContact O-CB 3.22Å; Y1488-S1492 WeakPolarHBondContact O-CB 3.08Å; Y1488-S1492 PolarHBondContact O-N 2.88Å; Y1488-S1492 PolarHBondContact O-OG 3.09Å |
| 1489 | S | 73.4 | Confident | 70.9 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -71.8 | -39.6 | -177 | 51.5 | 0 | 0 | 0 | 0 | 111.8 | L1485 F1486 I1493 | L1485-S1489 PolarHBondContact O-N 2.81Å; L1485-S1489 PolarHBondContact O-OG 2.74Å; F1486-S1489 WeakPolarHBondContact CA-OG 3Å; F1486-S1489 PolarHBondContact O-N 3.38Å; F1486-S1489 PolarHBondContact O-OG 2.81Å; S1489-I1493 VanDerWaalsContact O-CB 3.3Å; S1489-I1493 WeakPolarHBondContact O-CB 3.15Å; S1489-I1493 WeakPolarHBondContact O-CG1 3.4Å; S1489-I1493 PolarHBondContact O-N 3.22Å |
| 1490 | F | 73.9 | Confident | 69.5 | Low | 44 Ų | 44 | 33.9 Ų | 33.9 | 19% | 0.193 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -58.1 | -49.1 | 166.5 | -78.9 | -56.9 | 0 | 0 | 0 | 112.1 | F1486 I1493 H1494 F1547 T1548 Y1551 F1552 | F1486-F1490 HydrophobicContact CB-CD2 4.32Å; F1486-F1490 HydrophobicContact CB-CE2 4.36Å; F1486-F1490 VanDerWaalsContact O-CB 3.32Å; F1486-F1490 WeakPolarHBondContact O-CB 3.33Å; F1486-F1490 WeakPolarHBondContact O-CD2 3.47Å; F1486-F1490 WeakPolarHBondContact O-CG 3.22Å; F1486-F1490 PolarHBondContact O-N 3.37Å; F1490-I1493 PolarHBondContact O-N 2.77Å; F1490-H1494 WeakPolarHBondContact O-CB 3.26Å; F1490-H1494 PolarHBondContact O-N 3.3Å; F1490-F1547 HydrophobicContact CE1-CE1 4.39Å; F1490-F1547 HydrophobicContact CZ-CD1 4.14Å; F1490-F1547 HydrophobicContact CZ-CE1 4.11Å; F1490-T1548 HydrophobicContact CD2-CG2 4.34Å; F1490-T1548 HydrophobicContact CE1-CG2 3.86Å; F1490-T1548 HydrophobicContact CE2-CG2 3.57Å; F1490-T1548 HydrophobicContact CZ-CG2 3.3Å; F1490-Y1551 AromaticContact CD1-CD1 3.56Å; F1490-Y1551 HydrophobicContact CD1-CD1 3.56Å; F1490-Y1551 AromaticContact CD1-CE1 3.58Å; F1490-Y1551 HydrophobicContact CD1-CE1 3.58Å; F1490-Y1551 HydrophobicContact CD1-CG 4.48Å; F1490-Y1551 AromaticContact CE1-CD1 3.43Å; F1490-Y1551 HydrophobicContact CE1-CD1 3.43Å; F1490-Y1551 VanDerWaalsContact CE1-CD1 3.43Å; F1490-Y1551 AromaticContact CE1-CE1 3.82Å; F1490-Y1551 HydrophobicContact CE1-CE1 3.82Å; F1490-Y1551 AromaticContact CE1-CG 3.93Å; F1490-Y1551 HydrophobicContact CE1-CG 3.93Å; F1490-F1552 HydrophobicContact CD1-CE1 4.44Å |
| 1491 | N | 71.7 | Confident | 68 | Low | 102 Ų | 102 | 33.2 Ų | 33.2 | 55% | 0.545 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -70.2 | -33.8 | -178.4 | -74.2 | -22.7 | 0 | 0 | 0 | 112.6 | N1487 Y1488 H1494 Y1495 | N1487-N1491 WeakPolarHBondContact O-CA 3.49Å; N1487-N1491 WeakPolarHBondContact O-CB 3.11Å; N1487-N1491 PolarHBondContact O-N 3.08Å; N1487-N1491 PolarHBondContact O-ND2 3.32Å; N1487-N1491 VanDerWaalsContact O-ND2 3.17Å; Y1488-N1491 PolarHBondContact O-N 3.4Å; N1491-H1494 PolarHBondContact O-N 3.46Å; N1491-Y1495 WeakPolarHBondContact O-CB 3.38Å; N1491-Y1495 PolarHBondContact O-N 3.09Å |
| 1492 | S | 68.2 | Low | 66.1 | Low | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.007 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -71.8 | -41.1 | 176.3 | -58.1 | 0 | 0 | 0 | 0 | 110.6 | Y1488 Y1495 I1496 | Y1488-S1492 WeakPolarHBondContact CE2-OG 3.16Å; Y1488-S1492 VanDerWaalsContact O-CB 3.22Å; Y1488-S1492 WeakPolarHBondContact O-CB 3.08Å; Y1488-S1492 PolarHBondContact O-N 2.88Å; Y1488-S1492 PolarHBondContact O-OG 3.09Å; S1492-Y1495 PolarHBondContact O-N 2.85Å; S1492-I1496 WeakPolarHBondContact O-CB 3.41Å; S1492-I1496 WeakPolarHBondContact O-CD1 3.4Å; S1492-I1496 VanDerWaalsContact O-CG1 3.25Å; S1492-I1496 WeakPolarHBondContact O-CG1 3.43Å; S1492-I1496 PolarHBondContact O-N 3.46Å |
| 1493 | I | 66.1 | Low | 64.3 | Low | 5 Ų | 5 | 35.8 Ų | 35.8 | 3% | 0.026 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -68.1 | -36.1 | 171.6 | -72.2 | 169.5 | 0 | 0 | 0 | 111.1 | S1489 F1490 I1496 T1497 L1516 F1552 L1555 | S1489-I1493 VanDerWaalsContact O-CB 3.3Å; S1489-I1493 WeakPolarHBondContact O-CB 3.15Å; S1489-I1493 WeakPolarHBondContact O-CG1 3.4Å; S1489-I1493 PolarHBondContact O-N 3.22Å; F1490-I1493 PolarHBondContact O-N 2.77Å; I1493-I1496 CarbonylContact O-C 3.54Å; I1493-I1496 WeakPolarHBondContact O-CB 3.23Å; I1493-I1496 PolarHBondContact O-N 2.73Å; I1493-T1497 HydrophobicContact CG2-CG2 4.36Å; I1493-T1497 WeakPolarHBondContact O-CG2 3.42Å; I1493-T1497 PolarHBondContact O-N 2.93Å; I1493-L1516 HydrophobicContact CD1-CD1 3.96Å; I1493-L1516 HydrophobicContact CD1-CD2 3.87Å; I1493-L1516 HydrophobicContact CD1-CG 4.44Å; I1493-L1516 HydrophobicContact CG1-CD1 3.56Å; I1493-L1516 HydrophobicContact CG1-CD2 3.77Å; I1493-L1516 HydrophobicContact CG1-CG 4.3Å; I1493-F1552 HydrophobicContact CD1-CB 3.97Å; I1493-F1552 HydrophobicContact CD1-CD1 3.27Å; I1493-F1552 HydrophobicContact CD1-CD2 3.56Å; I1493-F1552 HydrophobicContact CD1-CE1 3.61Å; I1493-F1552 HydrophobicContact CD1-CE2 3.83Å; I1493-F1552 HydrophobicContact CD1-CG 3.3Å; I1493-F1552 HydrophobicContact CD1-CZ 3.89Å; I1493-L1555 HydrophobicContact CG2-CB 4.38Å; I1493-L1555 HydrophobicContact CG2-CD1 3.42Å; I1493-L1555 VanDerWaalsContact CG2-CD1 3.42Å |
| 1494 | H | 65.8 | Low | 62.3 | Low | 95 Ų | 95 | 36.1 Ų | 36.1 | 44% | 0.44 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -73.3 | -30.6 | 176 | -168.4 | 16.4 | 0 | 0 | 0 | 112.5 | F1490 N1491 T1497 T1498 | F1490-H1494 WeakPolarHBondContact O-CB 3.26Å; F1490-H1494 PolarHBondContact O-N 3.3Å; N1491-H1494 PolarHBondContact O-N 3.46Å; H1494-T1497 WeakPolarHBondContact CA-OG1 3.34Å; H1494-T1497 PolarHBondContact ND1-OG1 3.3Å; H1494-T1497 VanDerWaalsContact ND1-OG1 3.09Å; H1494-T1497 PolarHBondContact O-N 2.69Å; H1494-T1497 PolarHBondContact O-OG1 2.59Å; H1494-T1497 VanDerWaalsContact O-OG1 3.09Å; H1494-T1498 VanDerWaalsContact CE1-CG2 3.44Å; H1494-T1498 WeakPolarHBondContact CE1-CG2 3.19Å; H1494-T1498 WeakPolarHBondContact O-CB 3.42Å; H1494-T1498 WeakPolarHBondContact O-CG2 3.1Å; H1494-T1498 PolarHBondContact O-N 2.81Å; H1494-T1498 PolarHBondContact O-OG1 2.75Å |
| 1495 | Y | 64.6 | Low | 60.8 | Low | 30 Ų | 30 | 33.6 Ų | 33.6 | 12% | 0.118 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -65.2 | -46.9 | 168.1 | 174.3 | -100.5 | 0 | 0 | 0 | 110.3 | I1450 N1491 S1492 T1497 T1498 I1499 | I1450-Y1495 HydrophobicContact CB-CE2 4.23Å; I1450-Y1495 VanDerWaalsContact CB-OH 3.31Å; I1450-Y1495 WeakPolarHBondContact CB-OH 3.45Å; I1450-Y1495 HydrophobicContact CD1-CE2 4.21Å; I1450-Y1495 HydrophobicContact CG2-CD2 4.24Å; I1450-Y1495 HydrophobicContact CG2-CE1 4.15Å; I1450-Y1495 HydrophobicContact CG2-CE2 3.42Å; I1450-Y1495 VanDerWaalsContact CG2-CE2 3.42Å; I1450-Y1495 WeakPolarHBondContact CG2-OH 2.89Å; N1491-Y1495 WeakPolarHBondContact O-CB 3.38Å; N1491-Y1495 PolarHBondContact O-N 3.09Å; S1492-Y1495 PolarHBondContact O-N 2.85Å; Y1495-T1497 VanDerWaalsContact C-N 3.32Å; Y1495-T1497 PolarHBondContact O-N 2.76Å; Y1495-T1498 WeakPolarHBondContact CA-OG1 3.42Å; Y1495-T1498 PolarHBondContact O-N 3.48Å; Y1495-T1498 PolarHBondContact O-OG1 3.11Å; Y1495-I1499 HydrophobicContact CD1-CD1 4.46Å; Y1495-I1499 HydrophobicContact CD2-CD1 3.87Å; Y1495-I1499 HydrophobicContact CD2-CG1 4.48Å; Y1495-I1499 HydrophobicContact CE1-CD1 3.93Å; Y1495-I1499 HydrophobicContact CE2-CD1 3.25Å; Y1495-I1499 HydrophobicContact CE2-CG1 4.29Å; Y1495-I1499 HydrophobicContact CG-CD1 4.42Å; Y1495-I1499 WeakPolarHBondContact O-CB 3.25Å; Y1495-I1499 WeakPolarHBondContact O-CG1 3.2Å; Y1495-I1499 PolarHBondContact O-N 2.74Å; Y1495-I1499 WeakPolarHBondContact OH-CD1 3.19Å |
| 1496 | I | 60.2 | Low | 59.6 | Low | 5 Ų | 5 | 35.6 Ų | 35.6 | 3% | 0.026 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -54.7 | -47.2 | 168.6 | -72.3 | 157.3 | 0 | 0 | 0 | 110 | S1492 I1493 I1499 Q1500 F1509 L1512 L1516 | S1492-I1496 WeakPolarHBondContact O-CB 3.41Å; S1492-I1496 WeakPolarHBondContact O-CD1 3.4Å; S1492-I1496 VanDerWaalsContact O-CG1 3.25Å; S1492-I1496 WeakPolarHBondContact O-CG1 3.43Å; S1492-I1496 PolarHBondContact O-N 3.46Å; I1493-I1496 CarbonylContact O-C 3.54Å; I1493-I1496 WeakPolarHBondContact O-CB 3.23Å; I1493-I1496 PolarHBondContact O-N 2.73Å; I1496-I1499 PolarHBondContact O-N 2.69Å; I1496-Q1500 HydrophobicContact CG2-CG 4.05Å; I1496-Q1500 WeakPolarHBondContact O-CA 3.37Å; I1496-Q1500 WeakPolarHBondContact O-CB 3.31Å; I1496-Q1500 WeakPolarHBondContact O-CG 3.42Å; I1496-Q1500 PolarHBondContact O-N 3.03Å; I1496-F1509 HydrophobicContact CD1-CD2 4.13Å; I1496-L1512 HydrophobicContact CD1-CB 4.16Å; I1496-L1512 HydrophobicContact CD1-CD1 3.82Å; I1496-L1512 HydrophobicContact CG1-CD1 3.98Å; I1496-L1516 HydrophobicContact CD1-CD1 4.1Å |
| 1497 | T | 54.5 | Low | 58.4 | Low | 23 Ų | 23 | 39.2 Ų | 39.2 | 14% | 0.141 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -70.9 | -32.1 | -178.8 | 71.9 | 0 | 0 | 0 | 0 | 114.3 | I1493 H1494 Y1495 L1555 Q1559 | I1493-T1497 HydrophobicContact CG2-CG2 4.36Å; I1493-T1497 WeakPolarHBondContact O-CG2 3.42Å; I1493-T1497 PolarHBondContact O-N 2.93Å; H1494-T1497 WeakPolarHBondContact CA-OG1 3.34Å; H1494-T1497 PolarHBondContact ND1-OG1 3.3Å; H1494-T1497 VanDerWaalsContact ND1-OG1 3.09Å; H1494-T1497 PolarHBondContact O-N 2.69Å; H1494-T1497 PolarHBondContact O-OG1 2.59Å; H1494-T1497 VanDerWaalsContact O-OG1 3.09Å; Y1495-T1497 VanDerWaalsContact C-N 3.32Å; Y1495-T1497 PolarHBondContact O-N 2.76Å; T1497-L1555 HydrophobicContact CG2-CB 4.43Å; T1497-L1555 HydrophobicContact CG2-CD1 3.83Å; T1497-L1555 HydrophobicContact CG2-CD2 4.27Å; T1497-L1555 HydrophobicContact CG2-CG 4.43Å; T1497-Q1559 VanDerWaalsContact CG2-OE1 3.28Å |
| 1498 | T | 53 | Low | 57.5 | Low | 74 Ų | 74 | 36.3 Ų | 36.3 | 45% | 0.454 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -80.9 | -19.6 | 177.6 | 47.6 | 0 | 0 | 0 | 0 | 113.5 | H1494 Y1495 Y1501 | H1494-T1498 VanDerWaalsContact CE1-CG2 3.44Å; H1494-T1498 WeakPolarHBondContact CE1-CG2 3.19Å; H1494-T1498 WeakPolarHBondContact O-CB 3.42Å; H1494-T1498 WeakPolarHBondContact O-CG2 3.1Å; H1494-T1498 PolarHBondContact O-N 2.81Å; H1494-T1498 PolarHBondContact O-OG1 2.75Å; Y1495-T1498 WeakPolarHBondContact CA-OG1 3.42Å; Y1495-T1498 PolarHBondContact O-N 3.48Å; Y1495-T1498 PolarHBondContact O-OG1 3.11Å; T1498-Y1501 WeakPolarHBondContact O-CD2 3.22Å; T1498-Y1501 WeakPolarHBondContact O-CE2 3.11Å |
| 1499 | I | 50.1 | Low | 56.8 | Low | 38 Ų | 38 | 36.6 Ų | 36.6 | 20% | 0.195 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -98.3 | -10.9 | 169.6 | -57.8 | -172.7 | 0 | 0 | 0 | 111.6 | Y1495 I1496 Y1501 N1502 N1505 | Y1495-I1499 HydrophobicContact CD1-CD1 4.46Å; Y1495-I1499 HydrophobicContact CD2-CD1 3.87Å; Y1495-I1499 HydrophobicContact CD2-CG1 4.48Å; Y1495-I1499 HydrophobicContact CE1-CD1 3.93Å; Y1495-I1499 HydrophobicContact CE2-CD1 3.25Å; Y1495-I1499 HydrophobicContact CE2-CG1 4.29Å; Y1495-I1499 HydrophobicContact CG-CD1 4.42Å; Y1495-I1499 WeakPolarHBondContact O-CB 3.25Å; Y1495-I1499 WeakPolarHBondContact O-CG1 3.2Å; Y1495-I1499 PolarHBondContact O-N 2.74Å; Y1495-I1499 WeakPolarHBondContact OH-CD1 3.19Å; I1496-I1499 PolarHBondContact O-N 2.69Å; I1499-Y1501 PolarHBondContact O-N 2.79Å; I1499-N1502 WeakPolarHBondContact O-CA 3.48Å; I1499-N1502 WeakPolarHBondContact O-CB 3.26Å; I1499-N1502 PolarHBondContact O-N 3.22Å; I1499-N1505 VanDerWaalsContact C-ND2 3.26Å; I1499-N1505 WeakPolarHBondContact CG2-ND2 3.49Å; I1499-N1505 PolarHBondContact O-ND2 2.92Å |
| 1500 | Q | 44.3 | Very low | 56.5 | Low | 19 Ų | 19 | 39 Ų | 39 | 9% | 0.089 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | -3.6 | -173 | -109.8 | -163.4 | 52.2 | 0 | 0 | 117.7 | I1496 N1502 N1505 Q1559 K2082 | I1496-Q1500 HydrophobicContact CG2-CG 4.05Å; I1496-Q1500 WeakPolarHBondContact O-CA 3.37Å; I1496-Q1500 WeakPolarHBondContact O-CB 3.31Å; I1496-Q1500 WeakPolarHBondContact O-CG 3.42Å; I1496-Q1500 PolarHBondContact O-N 3.03Å; Q1500-N1502 PolarHBondContact O-N 2.91Å; Q1500-N1505 HydrophobicContact CG-CB 3.6Å; Q1500-Q1559 VanDerWaalsContact CD-OE1 3.25Å; Q1500-Q1559 VanDerWaalsContact OE1-CG 3.24Å; Q1500-K2082 PolarHBondContact O-NZ 2.92Å |
| 1501 | Y | 47.1 | Very low | 56.3 | Low | 64 Ų | 64 | 41.1 Ų | 41.1 | 25% | 0.251 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -34.4 | -51.5 | 146.3 | -63.9 | -92.1 | 0 | 0 | 0 | 110 | T1498 I1499 Q1503 G2078 K2079 | T1498-Y1501 WeakPolarHBondContact O-CD2 3.22Å; T1498-Y1501 WeakPolarHBondContact O-CE2 3.11Å; I1499-Y1501 PolarHBondContact O-N 2.79Å; Y1501-Q1503 PolarHBondContact O-N 2.72Å; Y1501-G2078 WeakPolarHBondContact CA-O 3.39Å; Y1501-G2078 VanDerWaalsContact CD1-C 3.44Å; Y1501-G2078 WeakPolarHBondContact CD1-O 3.31Å; Y1501-G2078 WeakPolarHBondContact CE1-O 3.37Å; Y1501-K2079 HydrophobicContact CE1-CB 3.93Å; Y1501-K2079 HydrophobicContact CE1-CD 3.46Å; Y1501-K2079 VanDerWaalsContact CE1-CD 3.46Å; Y1501-K2079 HydrophobicContact CE1-CG 3.68Å; Y1501-K2079 WeakPolarHBondContact OH-CD 3.28Å; Y1501-K2079 PolarHBondContact OH-NZ 3.45Å |
| 1502 | N | 39.1 | Very low | 56.4 | Low | 37 Ų | 37 | 36.3 Ų | 36.3 | 20% | 0.198 | 18% | 0.177 | C | C | . | . | S | Bend | trans | -101.6 | 73.9 | -174.8 | -61.1 | 48.8 | 0 | 0 | 0 | 110.2 | I1499 Q1500 F1504 N1505 N2101 D2104 M2105 | I1499-N1502 WeakPolarHBondContact O-CA 3.48Å; I1499-N1502 WeakPolarHBondContact O-CB 3.26Å; I1499-N1502 PolarHBondContact O-N 3.22Å; Q1500-N1502 PolarHBondContact O-N 2.91Å; N1502-F1504 PolarHBondContact O-N 3.05Å; N1502-N1505 PolarHBondContact O-N 3.45Å; N1502-N1505 PolarHBondContact O-ND2 3.13Å; N1502-N2101 WeakPolarHBondContact CA-OD1 3.32Å; N1502-N2101 PolarHBondContact O-OD1 2.78Å; N1502-D2104 PolarHBondContact ND2-O 3.35Å; N1502-M2105 PolarHBondContact ND2-N 3.26Å |
| 1503 | Q | 39.1 | Very low | 56.9 | Low | 19 Ų | 19 | 36.3 Ų | 36.3 | 9% | 0.089 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -9 | -24.7 | 151.4 | -25.8 | 173.1 | -41.3 | 0 | 0 | 121.5 | Y1501 N1505 Q1506 L2096 K2097 N2101 | Y1501-Q1503 PolarHBondContact O-N 2.72Å; Q1503-N1505 PolarHBondContact O-N 2.92Å; Q1503-Q1506 PolarHBondContact O-N 3.08Å; Q1503-L2096 PolarHBondContact NE2-O 2.79Å; Q1503-L2096 VanDerWaalsContact NE2-O 3.15Å; Q1503-L2096 PolarHBondContact OE1-O 3.25Å; Q1503-K2097 WeakPolarHBondContact CB-O 3.48Å; Q1503-K2097 PolarHBondContact OE1-O 3.38Å; Q1503-K2097 VanDerWaalsContact OE1-O 3.12Å; Q1503-N2101 WeakPolarHBondContact CA-OD1 3.31Å; Q1503-N2101 HydrophobicContact CB-CB 3.93Å; Q1503-N2101 WeakPolarHBondContact CB-OD1 3.45Å; Q1503-N2101 HydrophobicContact CG-CB 4.21Å; Q1503-N2101 WeakPolarHBondContact CG-OD1 3.36Å; Q1503-N2101 PolarHBondContact N-OD1 3.44Å; Q1503-N2101 VanDerWaalsContact OE1-N 3.17Å |
| 1504 | F | 41.3 | Very low | 57.5 | Low | 59 Ų | 59 | 36.3 Ų | 36.3 | 26% | 0.259 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -45 | -24.8 | 158.8 | -108 | -59.9 | 0 | 0 | 0 | 110.9 | N1502 Q1506 L1507 I1508 N2101 M2105 | N1502-F1504 PolarHBondContact O-N 3.05Å; F1504-Q1506 PolarHBondContact O-N 3.34Å; F1504-L1507 HydrophobicContact CD1-CD1 4.28Å; F1504-L1507 HydrophobicContact CE1-CD1 4.43Å; F1504-L1507 WeakPolarHBondContact O-CB 3.46Å; F1504-L1507 PolarHBondContact O-N 3.25Å; F1504-I1508 PolarHBondContact O-N 3.34Å; F1504-N2101 VanDerWaalsContact CB-ND2 3.32Å; F1504-N2101 WeakPolarHBondContact CB-ND2 3.43Å; F1504-N2101 WeakPolarHBondContact CD2-ND2 3.19Å; F1504-N2101 PolarHBondContact N-ND2 2.75Å; F1504-N2101 PolarHBondContact N-OD1 2.83Å; F1504-M2105 HydrophobicContact CD2-CE 3.45Å; F1504-M2105 VanDerWaalsContact CD2-CE 3.45Å; F1504-M2105 HydrophobicContact CD2-SD 3.7Å; F1504-M2105 HydrophobicContact CE2-CE 3.67Å; F1504-M2105 HydrophobicContact CE2-SD 3.5Å; F1504-M2105 WeakPolarHBondContact CE2-SD 3.25Å; F1504-M2105 HydrophobicContact CG-CE 4.4Å |
| 1505 | N | 49.3 | Very low | 58.3 | Low | 4 Ų | 4 | 31.8 Ų | 31.8 | 2% | 0.021 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -45.2 | -16.9 | 165.2 | -87.7 | -78.9 | 0 | 0 | 0 | 118.1 | I1499 Q1500 N1502 Q1503 L1507 F1509 | I1499-N1505 VanDerWaalsContact C-ND2 3.26Å; I1499-N1505 WeakPolarHBondContact CG2-ND2 3.49Å; I1499-N1505 PolarHBondContact O-ND2 2.92Å; Q1500-N1505 HydrophobicContact CG-CB 3.6Å; N1502-N1505 PolarHBondContact O-N 3.45Å; N1502-N1505 PolarHBondContact O-ND2 3.13Å; Q1503-N1505 PolarHBondContact O-N 2.92Å; N1505-L1507 VanDerWaalsContact C-N 3.35Å; N1505-F1509 WeakPolarHBondContact O-CA 3.49Å; N1505-F1509 WeakPolarHBondContact O-CB 3.27Å; N1505-F1509 PolarHBondContact O-N 2.97Å |
| 1506 | Q | 52.6 | Low | 59 | Low | 41 Ų | 41 | 30.4 Ų | 30.4 | 19% | 0.192 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -71.1 | -33.4 | 169.5 | -154.7 | 170.7 | 25.7 | 0 | 0 | 111.7 | Q1503 F1504 N1510 | Q1503-Q1506 PolarHBondContact O-N 3.08Å; F1504-Q1506 PolarHBondContact O-N 3.34Å; Q1506-N1510 WeakPolarHBondContact O-CB 3.37Å; Q1506-N1510 PolarHBondContact O-N 2.71Å; Q1506-N1510 PolarHBondContact O-ND2 3.26Å; Q1506-N1510 PolarHBondContact O-OD1 2.94Å |
| 1507 | L | 53.7 | Low | 59.9 | Low | 81 Ų | 81 | 30.1 Ų | 30.1 | 42% | 0.424 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -74.9 | -36.4 | 170.7 | -71.4 | 166.1 | 0 | 0 | 0 | 112.1 | F1504 N1505 K1511 | F1504-L1507 HydrophobicContact CD1-CD1 4.28Å; F1504-L1507 HydrophobicContact CE1-CD1 4.43Å; F1504-L1507 WeakPolarHBondContact O-CB 3.46Å; F1504-L1507 PolarHBondContact O-N 3.25Å; N1505-L1507 VanDerWaalsContact C-N 3.35Å; L1507-K1511 WeakPolarHBondContact O-CG 3.41Å; L1507-K1511 PolarHBondContact O-N 3.06Å; L1507-K1511 VanDerWaalsContact O-N 3.1Å |
| 1508 | I | 59.5 | Low | 61.3 | Low | 14 Ų | 14 | 29 Ų | 29 | 7% | 0.072 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -68.7 | -43.7 | 175.8 | -55.8 | 175.7 | 0 | 0 | 0 | 110.6 | I1451 F1504 K1511 L1512 | I1451-I1508 HydrophobicContact CD1-CB 4.1Å; I1451-I1508 HydrophobicContact CD1-CD1 4.29Å; I1451-I1508 HydrophobicContact CD1-CG1 3.84Å; I1451-I1508 HydrophobicContact CD1-CG2 3.5Å; I1451-I1508 VanDerWaalsContact CD1-CG2 3.5Å; I1451-I1508 HydrophobicContact CG1-CG2 3.83Å; F1504-I1508 PolarHBondContact O-N 3.34Å; I1508-K1511 CarbonylContact O-C 3.52Å; I1508-K1511 WeakPolarHBondContact O-CA 3.5Å; I1508-K1511 WeakPolarHBondContact O-CB 3.18Å; I1508-K1511 PolarHBondContact O-N 3.07Å; I1508-L1512 HydrophobicContact CG2-CD1 3.84Å; I1508-L1512 HydrophobicContact CG2-CG 4.48Å; I1508-L1512 PolarHBondContact O-N 3.29Å |
| 1509 | F | 65.6 | Low | 62.6 | Low | 13 Ų | 13 | 25.5 Ų | 25.5 | 6% | 0.057 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -59.5 | -48.2 | 173.7 | -178.7 | -101.4 | 0 | 0 | 0 | 110.8 | I1496 N1505 K1511 L1512 E1513 L1516 I1556 Y1565 W1569 | I1496-F1509 HydrophobicContact CD1-CD2 4.13Å; N1505-F1509 WeakPolarHBondContact O-CA 3.49Å; N1505-F1509 WeakPolarHBondContact O-CB 3.27Å; N1505-F1509 PolarHBondContact O-N 2.97Å; F1509-K1511 PolarHBondContact O-N 3.45Å; F1509-K1511 VanDerWaalsContact O-N 3.12Å; F1509-L1512 CarbonylContact O-C 3.58Å; F1509-L1512 PolarHBondContact O-N 3.12Å; F1509-E1513 HydrophobicContact CD1-CB 4.27Å; F1509-E1513 HydrophobicContact CE1-CB 3.75Å; F1509-E1513 HydrophobicContact CE1-CG 3.91Å; F1509-E1513 HydrophobicContact CE2-CB 4.19Å; F1509-E1513 HydrophobicContact CZ-CB 3.7Å; F1509-E1513 HydrophobicContact CZ-CG 3.8Å; F1509-E1513 WeakPolarHBondContact O-CB 3.33Å; F1509-E1513 PolarHBondContact O-N 2.6Å; F1509-L1516 HydrophobicContact CE2-CD1 4.25Å; F1509-I1556 HydrophobicContact CD2-CD1 4.17Å; F1509-I1556 HydrophobicContact CE1-CD1 4.2Å; F1509-I1556 HydrophobicContact CE2-CD1 3.31Å; F1509-I1556 HydrophobicContact CZ-CD1 3.31Å; F1509-Y1565 HydrophobicContact CE1-CD1 4.45Å; F1509-Y1565 AromaticContact CE1-CD2 3.78Å; F1509-Y1565 HydrophobicContact CE1-CD2 3.78Å; F1509-Y1565 HydrophobicContact CE1-CE2 4.07Å; F1509-Y1565 AromaticContact CE1-CG 3.97Å; F1509-Y1565 HydrophobicContact CE1-CG 3.97Å; F1509-W1569 AromaticContact CE2-CH2 3.79Å; F1509-W1569 HydrophobicContact CE2-CH2 3.79Å; F1509-W1569 HydrophobicContact CE2-CZ3 4.49Å; F1509-W1569 AromaticContact CZ-CH2 3.72Å; F1509-W1569 HydrophobicContact CZ-CH2 3.72Å; F1509-W1569 HydrophobicContact CZ-CZ2 4.15Å; F1509-W1569 HydrophobicContact CZ-CZ3 4.38Å |
| 1510 | N | 66.1 | Low | 64 | Low | 51 Ų | 51 | 24 Ų | 24 | 27% | 0.273 | 11% | 0.114 | S | C | . | . | H | α-helix | trans | -62.8 | -20.5 | 176.3 | -67.3 | -0 | 0 | 0 | 0 | 113.2 | Q1506 P1514 | Q1506-N1510 WeakPolarHBondContact O-CB 3.37Å; Q1506-N1510 PolarHBondContact O-N 2.71Å; Q1506-N1510 PolarHBondContact O-ND2 3.26Å; Q1506-N1510 PolarHBondContact O-OD1 2.94Å; N1510-P1514 WeakPolarHBondContact O-CD 3.34Å |
| 1511 | K | 71.4 | Confident | 65.7 | Low | 89 Ų | 89 | 23.3 Ų | 23.3 | 39% | 0.387 | 11% | 0.111 | S | C | . | . | H | α-helix | trans | -85.3 | -17 | 171.8 | -76.3 | -177.6 | 176.6 | -167.4 | 0 | 114.4 | L1507 I1508 F1509 | L1507-K1511 WeakPolarHBondContact O-CG 3.41Å; L1507-K1511 PolarHBondContact O-N 3.06Å; L1507-K1511 VanDerWaalsContact O-N 3.1Å; I1508-K1511 CarbonylContact O-C 3.52Å; I1508-K1511 WeakPolarHBondContact O-CA 3.5Å; I1508-K1511 WeakPolarHBondContact O-CB 3.18Å; I1508-K1511 PolarHBondContact O-N 3.07Å; F1509-K1511 PolarHBondContact O-N 3.45Å; F1509-K1511 VanDerWaalsContact O-N 3.12Å |
| 1512 | L | 72.2 | Confident | 67.3 | Low | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -114.3 | -24.9 | -176.8 | -71 | 175.8 | 0 | 0 | 0 | 113.9 | I1451 Q1454 I1496 I1508 F1509 P1514 F1515 L1516 | I1451-L1512 HydrophobicContact CG1-CD1 4.47Å; I1451-L1512 HydrophobicContact CG2-CD2 4.19Å; Q1454-L1512 HydrophobicContact CB-CD2 4.5Å; I1496-L1512 HydrophobicContact CD1-CB 4.16Å; I1496-L1512 HydrophobicContact CD1-CD1 3.82Å; I1496-L1512 HydrophobicContact CG1-CD1 3.98Å; I1508-L1512 HydrophobicContact CG2-CD1 3.84Å; I1508-L1512 HydrophobicContact CG2-CG 4.48Å; I1508-L1512 PolarHBondContact O-N 3.29Å; F1509-L1512 CarbonylContact O-C 3.58Å; F1509-L1512 PolarHBondContact O-N 3.12Å; L1512-P1514 VanDerWaalsContact C-N 3.31Å; L1512-F1515 WeakPolarHBondContact O-CA 3.35Å; L1512-F1515 WeakPolarHBondContact O-CB 3.49Å; L1512-F1515 PolarHBondContact O-N 3.34Å; L1512-L1516 WeakPolarHBondContact O-CG 3.49Å; L1512-L1516 PolarHBondContact O-N 3.46Å |
| 1513 | E | 78.9 | Confident | 69.2 | Low | 1 Ų | 1 | 18.6 Ų | 18.6 | 1% | 0.005 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -49.9 | -42.9 | 171.7 | -179.2 | -80.3 | 146.7 | 0 | 0 | 113 | R1369 F1509 F1515 L1516 T1517 Y1565 W1569 | R1369-E1513 IonicContact CZ-OE1 3.91Å; R1369-E1513 IonicContact CZ-OE2 3.88Å; R1369-E1513 IonicContact NE-OE1 2.75Å; R1369-E1513 PolarHBondContact NE-OE1 2.78Å; R1369-E1513 VanDerWaalsContact NE-OE1 3.11Å; R1369-E1513 IonicContact NE-OE2 3.76Å; R1369-E1513 PolarHBondContact NE-OE2 2.72Å; R1369-E1513 VanDerWaalsContact NE-OE2 3.11Å; R1369-E1513 IonicContact NH2-OE2 3.59Å; R1369-E1513 PolarHBondContact NH2-OE2 2.89Å; F1509-E1513 HydrophobicContact CD1-CB 4.27Å; F1509-E1513 HydrophobicContact CE1-CB 3.75Å; F1509-E1513 HydrophobicContact CE1-CG 3.91Å; F1509-E1513 HydrophobicContact CE2-CB 4.19Å; F1509-E1513 HydrophobicContact CZ-CB 3.7Å; F1509-E1513 HydrophobicContact CZ-CG 3.8Å; F1509-E1513 WeakPolarHBondContact O-CB 3.33Å; F1509-E1513 PolarHBondContact O-N 2.6Å; E1513-F1515 VanDerWaalsContact C-N 3.27Å; E1513-F1515 PolarHBondContact O-N 3.02Å; E1513-L1516 PolarHBondContact O-N 3.14Å; E1513-T1517 WeakPolarHBondContact O-CB 3.47Å; E1513-T1517 PolarHBondContact O-N 3.38Å; E1513-T1517 PolarHBondContact O-OG1 3.13Å; E1513-T1517 WeakPolarHBondContact OE1-CB 3.42Å; E1513-T1517 PolarHBondContact OE1-OG1 3.28Å; E1513-Y1565 VanDerWaalsContact CD-CE1 3.47Å; E1513-Y1565 HydrophobicContact CG-CD1 3.67Å; E1513-Y1565 HydrophobicContact CG-CE1 3.56Å; E1513-Y1565 HydrophobicContact CG-CG 4.48Å; E1513-W1569 HydrophobicContact CG-CZ2 4.2Å |
| 1514 | P | 78.8 | Confident | 71 | Confident | 6 Ų | 6 | 17.9 Ų | 17.9 | 4% | 0.039 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -53.2 | -46 | 173.5 | -25.7 | 33 | 0 | 0 | 0 | 111.9 | W1368 F1406 N1510 L1512 L1518 | W1368-P1514 VanDerWaalsContact CH2-O 3.24Å; W1368-P1514 WeakPolarHBondContact CH2-O 3.31Å; W1368-P1514 HydrophobicContact CZ2-CB 4.38Å; F1406-P1514 HydrophobicContact CD2-CB 4.01Å; F1406-P1514 HydrophobicContact CE2-CB 3.66Å; N1510-P1514 WeakPolarHBondContact O-CD 3.34Å; L1512-P1514 VanDerWaalsContact C-N 3.31Å; P1514-L1518 WeakPolarHBondContact O-CB 3.37Å; P1514-L1518 PolarHBondContact O-N 2.58Å |
| 1515 | F | 83.5 | Confident | 72.6 | Confident | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -71.1 | -35.1 | -179.1 | -62.5 | -105.3 | 0 | 0 | 0 | 112.4 | L1402 F1406 F1432 K1455 F1458 L1512 E1513 S1519 | L1402-F1515 HydrophobicContact CD1-CZ 4.18Å; L1402-F1515 HydrophobicContact CD2-CE2 3.74Å; L1402-F1515 HydrophobicContact CD2-CZ 3.82Å; F1406-F1515 HydrophobicContact CE1-CE1 4.38Å; F1406-F1515 HydrophobicContact CE2-CD2 4.18Å; F1406-F1515 HydrophobicContact CE2-CE1 4.46Å; F1406-F1515 HydrophobicContact CE2-CE2 4.03Å; F1406-F1515 HydrophobicContact CE2-CG 4.41Å; F1406-F1515 HydrophobicContact CE2-CZ 4.16Å; F1406-F1515 AromaticContact CZ-CD1 3.88Å; F1406-F1515 HydrophobicContact CZ-CD1 3.88Å; F1406-F1515 HydrophobicContact CZ-CD2 4.18Å; F1406-F1515 AromaticContact CZ-CE1 3.56Å; F1406-F1515 HydrophobicContact CZ-CE1 3.56Å; F1406-F1515 AromaticContact CZ-CE2 3.86Å; F1406-F1515 HydrophobicContact CZ-CE2 3.86Å; F1406-F1515 HydrophobicContact CZ-CG 4.16Å; F1406-F1515 AromaticContact CZ-CZ 3.52Å; F1406-F1515 HydrophobicContact CZ-CZ 3.52Å; F1432-F1515 HydrophobicContact CE2-CE1 4.26Å; F1432-F1515 AromaticContact CE2-CZ 3.93Å; F1432-F1515 HydrophobicContact CE2-CZ 3.93Å; F1432-F1515 AromaticContact CZ-CZ 4Å; F1432-F1515 HydrophobicContact CZ-CZ 4Å; K1455-F1515 HydrophobicContact CB-CD1 4.33Å; K1455-F1515 HydrophobicContact CB-CE1 3.55Å; K1455-F1515 HydrophobicContact CB-CZ 3.72Å; K1455-F1515 HydrophobicContact CD-CE1 4.24Å; K1455-F1515 HydrophobicContact CD-CE2 3.89Å; K1455-F1515 HydrophobicContact CD-CZ 3.51Å; K1455-F1515 HydrophobicContact CG-CD1 4.24Å; K1455-F1515 HydrophobicContact CG-CD2 4.3Å; K1455-F1515 HydrophobicContact CG-CE1 3.58Å; K1455-F1515 HydrophobicContact CG-CE2 3.68Å; K1455-F1515 HydrophobicContact CG-CZ 3.29Å; F1458-F1515 HydrophobicContact CB-CD1 4.39Å; F1458-F1515 AromaticContact CD1-CD1 3.63Å; F1458-F1515 HydrophobicContact CD1-CD1 3.63Å; F1458-F1515 HydrophobicContact CD1-CE1 4.37Å; F1458-F1515 HydrophobicContact CE1-CD1 4.23Å; F1458-F1515 HydrophobicContact CG-CD1 4.2Å; L1512-F1515 WeakPolarHBondContact O-CA 3.35Å; L1512-F1515 WeakPolarHBondContact O-CB 3.49Å; L1512-F1515 PolarHBondContact O-N 3.34Å; E1513-F1515 VanDerWaalsContact C-N 3.27Å; E1513-F1515 PolarHBondContact O-N 3.02Å; F1515-S1519 WeakPolarHBondContact O-CB 3.2Å; F1515-S1519 PolarHBondContact O-N 3.45Å |
| 1516 | L | 79 | Confident | 73.9 | Confident | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -72.1 | -48.3 | 179.1 | -67.1 | 169.7 | 0 | 0 | 0 | 111.8 | I1493 I1496 F1509 L1512 E1513 L1518 S1519 T1520 W1569 | I1493-L1516 HydrophobicContact CD1-CD1 3.96Å; I1493-L1516 HydrophobicContact CD1-CD2 3.87Å; I1493-L1516 HydrophobicContact CD1-CG 4.44Å; I1493-L1516 HydrophobicContact CG1-CD1 3.56Å; I1493-L1516 HydrophobicContact CG1-CD2 3.77Å; I1493-L1516 HydrophobicContact CG1-CG 4.3Å; I1496-L1516 HydrophobicContact CD1-CD1 4.1Å; F1509-L1516 HydrophobicContact CE2-CD1 4.25Å; L1512-L1516 WeakPolarHBondContact O-CG 3.49Å; L1512-L1516 PolarHBondContact O-N 3.46Å; E1513-L1516 PolarHBondContact O-N 3.14Å; L1516-L1518 VanDerWaalsContact C-N 3.31Å; L1516-L1518 PolarHBondContact O-N 3.2Å; L1516-S1519 PolarHBondContact O-N 2.99Å; L1516-S1519 PolarHBondContact O-OG 3.19Å; L1516-T1520 PolarHBondContact O-N 2.67Å; L1516-T1520 PolarHBondContact O-OG1 3.04Å; L1516-W1569 HydrophobicContact CB-CH2 4.32Å; L1516-W1569 HydrophobicContact CB-CZ2 4.12Å; L1516-W1569 HydrophobicContact CD1-CH2 4.24Å |
| 1517 | T | 78.6 | Confident | 74.8 | Confident | 0 Ų | 0 | 13.6 Ų | 13.6 | 0% | 0 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -64.3 | -39 | 174.3 | -57.1 | 0 | 0 | 0 | 0 | 110.1 | W1368 R1369 E1513 T1520 K1521 W1569 | W1368-T1517 HydrophobicContact CH2-CG2 3.89Å; W1368-T1517 HydrophobicContact CZ3-CG2 3.74Å; R1369-T1517 HydrophobicContact CG-CG2 4.29Å; E1513-T1517 WeakPolarHBondContact O-CB 3.47Å; E1513-T1517 PolarHBondContact O-N 3.38Å; E1513-T1517 PolarHBondContact O-OG1 3.13Å; E1513-T1517 WeakPolarHBondContact OE1-CB 3.42Å; E1513-T1517 PolarHBondContact OE1-OG1 3.28Å; T1517-T1520 PolarHBondContact O-N 3.16Å; T1517-T1520 PolarHBondContact O-OG1 3.08Å; T1517-K1521 WeakPolarHBondContact O-CB 3.41Å; T1517-K1521 VanDerWaalsContact O-CG 3.26Å; T1517-K1521 WeakPolarHBondContact O-CG 3.18Å; T1517-K1521 PolarHBondContact O-N 3.2Å; T1517-K1521 VanDerWaalsContact O-N 3.07Å; T1517-W1569 PolarHBondContact OG1-NE1 3.1Å |
| 1518 | L | 83.3 | Confident | 75.7 | Confident | 0 Ų | 0 | 12.7 Ų | 12.7 | 0% | 0 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -59.1 | -48.2 | 172.7 | 173.9 | 60.5 | 0 | 0 | 0 | 112.4 | W1368 F1406 L1409 L1410 F1458 P1514 L1516 T1520 K1521 F1522 | W1368-L1518 HydrophobicContact CH2-CB 4.03Å; W1368-L1518 HydrophobicContact CZ3-CB 4.23Å; F1406-L1518 HydrophobicContact CB-CD2 4.32Å; F1406-L1518 HydrophobicContact CD1-CD2 3.43Å; F1406-L1518 VanDerWaalsContact CD1-CD2 3.43Å; F1406-L1518 HydrophobicContact CD2-CD2 3.89Å; F1406-L1518 HydrophobicContact CE1-CD2 3.46Å; F1406-L1518 VanDerWaalsContact CE1-CD2 3.46Å; F1406-L1518 HydrophobicContact CE2-CD2 3.92Å; F1406-L1518 HydrophobicContact CG-CD2 3.63Å; F1406-L1518 HydrophobicContact CZ-CD2 3.69Å; L1409-L1518 HydrophobicContact CD2-CD1 4.48Å; L1410-L1518 HydrophobicContact CD1-CD1 3.51Å; L1410-L1518 HydrophobicContact CD2-CD1 3.79Å; L1410-L1518 HydrophobicContact CG-CD1 3.35Å; F1458-L1518 HydrophobicContact CE1-CD2 3.49Å; F1458-L1518 VanDerWaalsContact CE1-CD2 3.49Å; F1458-L1518 HydrophobicContact CE1-CG 3.98Å; F1458-L1518 HydrophobicContact CZ-CB 4.48Å; F1458-L1518 HydrophobicContact CZ-CD2 3.88Å; F1458-L1518 HydrophobicContact CZ-CG 3.82Å; P1514-L1518 WeakPolarHBondContact O-CB 3.37Å; P1514-L1518 PolarHBondContact O-N 2.58Å; L1516-L1518 VanDerWaalsContact C-N 3.31Å; L1516-L1518 PolarHBondContact O-N 3.2Å; L1518-T1520 PolarHBondContact O-N 2.89Å; L1518-K1521 PolarHBondContact O-N 2.78Å; L1518-F1522 VanDerWaalsContact O-CB 3.31Å; L1518-F1522 WeakPolarHBondContact O-CB 3.48Å; L1518-F1522 PolarHBondContact O-N 3Å |
| 1519 | S | 82.1 | Confident | 76 | Confident | 0 Ų | 0 | 13.8 Ų | 13.8 | 0% | 0 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -59.2 | -43.2 | -179.3 | 73.6 | 0 | 0 | 0 | 0 | 112.8 | F1515 L1516 F1522 I1523 | F1515-S1519 WeakPolarHBondContact O-CB 3.2Å; F1515-S1519 PolarHBondContact O-N 3.45Å; L1516-S1519 PolarHBondContact O-N 2.99Å; L1516-S1519 PolarHBondContact O-OG 3.19Å; S1519-F1522 PolarHBondContact O-N 2.72Å; S1519-I1523 WeakPolarHBondContact O-CG1 3.47Å; S1519-I1523 PolarHBondContact O-N 2.73Å |
| 1520 | T | 78.1 | Confident | 75.4 | Confident | 6 Ų | 6 | 19.9 Ų | 19.9 | 4% | 0.037 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -71.4 | -38.1 | 179.5 | 53.8 | 0 | 0 | 0 | 0 | 112.1 | L1516 T1517 L1518 Q1524 L1545 L1549 F1552 | L1516-T1520 PolarHBondContact O-N 2.67Å; L1516-T1520 PolarHBondContact O-OG1 3.04Å; T1517-T1520 PolarHBondContact O-N 3.16Å; T1517-T1520 PolarHBondContact O-OG1 3.08Å; L1518-T1520 PolarHBondContact O-N 2.89Å; T1520-Q1524 VanDerWaalsContact O-CB 3.27Å; T1520-Q1524 WeakPolarHBondContact O-CB 3.27Å; T1520-Q1524 PolarHBondContact O-N 3.25Å; T1520-L1545 HydrophobicContact CG2-CD1 4.44Å; T1520-L1549 HydrophobicContact CG2-CD2 3.9Å; T1520-L1549 HydrophobicContact CG2-CG 4.44Å; T1520-F1552 HydrophobicContact CG2-CD2 4.23Å; T1520-F1552 HydrophobicContact CG2-CE2 3.51Å; T1520-F1552 HydrophobicContact CG2-CZ 4.26Å |
| 1521 | K | 80 | Confident | 75 | Confident | 5 Ų | 5 | 24 Ų | 24 | 2% | 0.022 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -64.9 | -40.7 | 172.9 | -69.5 | -57.5 | -171.2 | 170.3 | 0 | 112.7 | N1371 L1410 T1517 L1518 Q1524 I1525 N1572 | N1371-K1521 VanDerWaalsContact CG-NZ 3.33Å; N1371-K1521 PolarHBondContact ND2-NZ 2.9Å; N1371-K1521 WeakPolarHBondContact OD1-CD 3.3Å; N1371-K1521 WeakPolarHBondContact OD1-CE 3.34Å; N1371-K1521 PolarHBondContact OD1-NZ 3.23Å; L1410-K1521 HydrophobicContact CD1-CB 3.83Å; L1410-K1521 HydrophobicContact CD1-CG 4.46Å; L1410-K1521 HydrophobicContact CD2-CB 3.66Å; L1410-K1521 HydrophobicContact CG-CB 4.43Å; T1517-K1521 WeakPolarHBondContact O-CB 3.41Å; T1517-K1521 VanDerWaalsContact O-CG 3.26Å; T1517-K1521 WeakPolarHBondContact O-CG 3.18Å; T1517-K1521 PolarHBondContact O-N 3.2Å; T1517-K1521 VanDerWaalsContact O-N 3.07Å; L1518-K1521 PolarHBondContact O-N 2.78Å; K1521-Q1524 WeakPolarHBondContact O-CB 3.31Å; K1521-Q1524 PolarHBondContact O-N 2.69Å; K1521-I1525 WeakPolarHBondContact O-CB 3.44Å; K1521-I1525 WeakPolarHBondContact O-CD1 3.42Å; K1521-I1525 VanDerWaalsContact O-CG1 3.28Å; K1521-I1525 WeakPolarHBondContact O-CG1 3.34Å; K1521-I1525 PolarHBondContact O-N 3.15Å; K1521-N1572 WeakPolarHBondContact CE-OD1 3.38Å; K1521-N1572 PolarHBondContact NZ-OD1 3.19Å |
| 1522 | F | 81.9 | Confident | 74.4 | Confident | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -63.7 | -46 | 177.6 | -172.3 | -93.8 | 0 | 0 | 0 | 111.4 | L1409 L1410 A1413 W1418 V1421 L1462 L1465 L1485 L1518 S1519 I1525 I1526 | L1409-F1522 HydrophobicContact CD2-CD2 3.67Å; L1409-F1522 HydrophobicContact CD2-CE2 3.69Å; L1410-F1522 HydrophobicContact CD2-CB 3.93Å; L1410-F1522 HydrophobicContact CD2-CD2 4.47Å; A1413-F1522 HydrophobicContact CB-CD2 3.58Å; A1413-F1522 HydrophobicContact CB-CE2 3.49Å; A1413-F1522 VanDerWaalsContact CB-CE2 3.49Å; W1418-F1522 HydrophobicContact CE3-CZ 4.29Å; W1418-F1522 AromaticContact CZ3-CE2 3.93Å; W1418-F1522 HydrophobicContact CZ3-CE2 3.93Å; W1418-F1522 AromaticContact CZ3-CZ 3.69Å; W1418-F1522 HydrophobicContact CZ3-CZ 3.69Å; V1421-F1522 HydrophobicContact CG1-CE2 3.65Å; V1421-F1522 HydrophobicContact CG1-CZ 3.81Å; V1421-F1522 HydrophobicContact CG2-CE2 4.28Å; L1462-F1522 HydrophobicContact CD2-CD1 3.58Å; L1462-F1522 HydrophobicContact CD2-CD2 4.06Å; L1462-F1522 HydrophobicContact CD2-CE1 3.43Å; L1462-F1522 VanDerWaalsContact CD2-CE1 3.43Å; L1462-F1522 HydrophobicContact CD2-CE2 3.93Å; L1462-F1522 HydrophobicContact CD2-CG 3.9Å; L1462-F1522 HydrophobicContact CD2-CZ 3.62Å; L1465-F1522 HydrophobicContact CD1-CE1 4.35Å; L1485-F1522 HydrophobicContact CD1-CD1 3.88Å; L1485-F1522 HydrophobicContact CD1-CE1 4.18Å; L1518-F1522 VanDerWaalsContact O-CB 3.31Å; L1518-F1522 WeakPolarHBondContact O-CB 3.48Å; L1518-F1522 PolarHBondContact O-N 3Å; S1519-F1522 PolarHBondContact O-N 2.72Å; F1522-I1525 PolarHBondContact O-N 3.13Å; F1522-I1526 HydrophobicContact CD1-CD1 3.73Å; F1522-I1526 HydrophobicContact CE1-CD1 3.41Å; F1522-I1526 VanDerWaalsContact CE1-CD1 3.41Å; F1522-I1526 HydrophobicContact CE1-CG1 4.47Å; F1522-I1526 HydrophobicContact CZ-CD1 4.16Å; F1522-I1526 PolarHBondContact O-N 2.69Å |
| 1523 | I | 77.6 | Confident | 73.8 | Confident | 1 Ų | 1 | 22 Ų | 22 | 1% | 0.005 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -66 | -39.7 | 175 | -64.8 | 163.7 | 0 | 0 | 0 | 111.5 | I1482 L1485 F1486 S1519 I1525 I1526 L1527 L1545 | I1482-I1523 HydrophobicContact CG2-CG1 4.42Å; I1482-I1523 HydrophobicContact CG2-CG2 4.38Å; L1485-I1523 HydrophobicContact CB-CD1 3.91Å; L1485-I1523 HydrophobicContact CD1-CD1 4.28Å; L1485-I1523 HydrophobicContact CD1-CG1 4.07Å; F1486-I1523 HydrophobicContact CD1-CD1 3.79Å; F1486-I1523 HydrophobicContact CE1-CD1 3.67Å; F1486-I1523 HydrophobicContact CE1-CG2 4.26Å; F1486-I1523 HydrophobicContact CE2-CD1 4.42Å; F1486-I1523 HydrophobicContact CE2-CG2 4.34Å; F1486-I1523 HydrophobicContact CG-CD1 4.26Å; F1486-I1523 HydrophobicContact CZ-CD1 4.03Å; F1486-I1523 HydrophobicContact CZ-CG2 3.75Å; S1519-I1523 WeakPolarHBondContact O-CG1 3.47Å; S1519-I1523 PolarHBondContact O-N 2.73Å; I1523-I1525 VanDerWaalsContact C-N 3.3Å; I1523-I1525 PolarHBondContact O-N 3.3Å; I1523-I1526 PolarHBondContact O-N 2.86Å; I1523-L1527 HydrophobicContact CG2-CD1 3.91Å; I1523-L1527 HydrophobicContact CG2-CG 4.28Å; I1523-L1527 WeakPolarHBondContact O-CG 3.47Å; I1523-L1527 PolarHBondContact O-N 3.5Å; I1523-L1545 HydrophobicContact CB-CD1 4.4Å; I1523-L1545 HydrophobicContact CG2-CD1 4.2Å |
| 1524 | Q | 77.7 | Confident | 72.9 | Confident | 4 Ų | 4 | 27.4 Ų | 27.4 | 2% | 0.019 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -56.1 | -45.6 | 174.3 | -171 | -174.3 | 14.3 | 0 | 0 | 111.3 | T1520 K1521 L1527 L1528 L1545 Y1575 | T1520-Q1524 VanDerWaalsContact O-CB 3.27Å; T1520-Q1524 WeakPolarHBondContact O-CB 3.27Å; T1520-Q1524 PolarHBondContact O-N 3.25Å; K1521-Q1524 WeakPolarHBondContact O-CB 3.31Å; K1521-Q1524 PolarHBondContact O-N 2.69Å; Q1524-L1527 PolarHBondContact O-N 2.89Å; Q1524-L1528 HydrophobicContact CG-CD1 4.26Å; Q1524-L1528 VanDerWaalsContact O-CG 3.3Å; Q1524-L1528 WeakPolarHBondContact O-CG 3.35Å; Q1524-L1528 PolarHBondContact O-N 3.23Å; Q1524-L1528 VanDerWaalsContact O-N 3.09Å; Q1524-L1545 HydrophobicContact CB-CD2 3.9Å; Q1524-L1545 HydrophobicContact CG-CD2 4.26Å; Q1524-Y1575 VanDerWaalsContact NE2-CD1 3.32Å; Q1524-Y1575 VanDerWaalsContact NE2-CE1 3.32Å |
| 1525 | I | 75.6 | Confident | 72.2 | Confident | 12 Ų | 12 | 32.9 Ų | 32.9 | 6% | 0.062 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -63.9 | -42.5 | 177.8 | -74.1 | 161.9 | 0 | 0 | 0 | 111.8 | L1410 A1413 S1414 K1521 F1522 I1523 | L1410-I1525 HydrophobicContact CB-CD1 4.37Å; L1410-I1525 HydrophobicContact CD2-CD1 3.77Å; A1413-I1525 HydrophobicContact CB-CG2 4.4Å; A1413-I1525 VanDerWaalsContact O-CG2 3.32Å; A1413-I1525 WeakPolarHBondContact O-CG2 3.39Å; S1414-I1525 VanDerWaalsContact CA-CG2 3.49Å; K1521-I1525 WeakPolarHBondContact O-CB 3.44Å; K1521-I1525 WeakPolarHBondContact O-CD1 3.42Å; K1521-I1525 VanDerWaalsContact O-CG1 3.28Å; K1521-I1525 WeakPolarHBondContact O-CG1 3.34Å; K1521-I1525 PolarHBondContact O-N 3.15Å; F1522-I1525 PolarHBondContact O-N 3.13Å; I1523-I1525 VanDerWaalsContact C-N 3.3Å; I1523-I1525 PolarHBondContact O-N 3.3Å |
| 1526 | I | 75.8 | Confident | 71.2 | Confident | 1 Ų | 1 | 36.3 Ų | 36.3 | 1% | 0.005 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -61.9 | -46.3 | 176.1 | -73.6 | 172 | 0 | 0 | 0 | 111 | W1418 L1469 I1482 F1522 I1523 L1528 K1529 I1532 F1533 | W1418-I1526 HydrophobicContact CH2-CD1 4.3Å; W1418-I1526 HydrophobicContact CH2-CG1 3.79Å; W1418-I1526 HydrophobicContact CZ3-CG1 4.47Å; L1469-I1526 HydrophobicContact CD1-CD1 4.39Å; I1482-I1526 HydrophobicContact CD1-CG2 3.91Å; F1522-I1526 HydrophobicContact CD1-CD1 3.73Å; F1522-I1526 HydrophobicContact CE1-CD1 3.41Å; F1522-I1526 VanDerWaalsContact CE1-CD1 3.41Å; F1522-I1526 HydrophobicContact CE1-CG1 4.47Å; F1522-I1526 HydrophobicContact CZ-CD1 4.16Å; F1522-I1526 PolarHBondContact O-N 2.69Å; I1523-I1526 PolarHBondContact O-N 2.86Å; I1526-L1528 PolarHBondContact O-N 3.38Å; I1526-K1529 WeakPolarHBondContact O-CB 3.33Å; I1526-K1529 PolarHBondContact O-N 3.49Å; I1526-K1529 VanDerWaalsContact O-N 3.14Å; I1526-I1532 HydrophobicContact CG2-CD1 4.36Å; I1526-F1533 HydrophobicContact CG2-CE2 3.9Å |
| 1527 | L | 72.2 | Confident | 70.5 | Confident | 2 Ų | 2 | 37.4 Ų | 37.4 | 1% | 0.01 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -69.3 | -31.4 | -177.2 | -67.3 | 174.6 | 0 | 0 | 0 | 113.2 | I1523 Q1524 K1529 K1538 L1541 E1542 L1545 | I1523-L1527 HydrophobicContact CG2-CD1 3.91Å; I1523-L1527 HydrophobicContact CG2-CG 4.28Å; I1523-L1527 WeakPolarHBondContact O-CG 3.47Å; I1523-L1527 PolarHBondContact O-N 3.5Å; Q1524-L1527 PolarHBondContact O-N 2.89Å; L1527-K1529 PolarHBondContact O-N 2.8Å; L1527-K1538 VanDerWaalsContact O-CE 3.24Å; L1527-K1538 WeakPolarHBondContact O-CE 3.5Å; L1527-K1538 PolarHBondContact O-NZ 2.8Å; L1527-L1541 HydrophobicContact CD1-CB 4.04Å; L1527-L1541 HydrophobicContact CD2-CB 3.49Å; L1527-L1541 VanDerWaalsContact CD2-CB 3.49Å; L1527-L1541 HydrophobicContact CD2-CD1 3.91Å; L1527-L1541 HydrophobicContact CD2-CG 4.35Å; L1527-L1541 HydrophobicContact CG-CB 4.4Å; L1527-E1542 HydrophobicContact CD1-CG 4.26Å; L1527-L1545 HydrophobicContact CD1-CB 4.16Å; L1527-L1545 HydrophobicContact CD1-CD2 4.05Å |
| 1528 | L | 71.2 | Confident | 70.1 | Confident | 62 Ų | 62 | 38.8 Ų | 38.8 | 33% | 0.325 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -63 | -25.9 | 173.2 | -73.5 | 167.8 | 0 | 0 | 0 | 112.7 | Q1524 I1526 K1530 L1579 | Q1524-L1528 HydrophobicContact CG-CD1 4.26Å; Q1524-L1528 VanDerWaalsContact O-CG 3.3Å; Q1524-L1528 WeakPolarHBondContact O-CG 3.35Å; Q1524-L1528 PolarHBondContact O-N 3.23Å; Q1524-L1528 VanDerWaalsContact O-N 3.09Å; I1526-L1528 PolarHBondContact O-N 3.38Å; L1528-K1530 PolarHBondContact O-N 3.05Å; L1528-K1530 VanDerWaalsContact O-N 3.11Å; L1528-L1579 HydrophobicContact CD2-CD1 4.39Å |
| 1529 | K | 67.6 | Low | 69.3 | Low | 37 Ų | 37 | 40.8 Ų | 40.8 | 16% | 0.161 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -77.5 | 98.8 | 178 | -69.7 | 176.6 | 177.9 | -175.5 | 0 | 111.2 | A1413 S1414 S1416 I1526 L1527 N1531 I1532 | A1413-K1529 PolarHBondContact O-NZ 2.72Å; S1414-K1529 WeakPolarHBondContact O-CE 3.38Å; S1414-K1529 PolarHBondContact O-NZ 3.45Å; S1416-K1529 VanDerWaalsContact CA-NZ 3.32Å; S1416-K1529 WeakPolarHBondContact OG-CE 3.39Å; S1416-K1529 PolarHBondContact OG-NZ 3.11Å; I1526-K1529 WeakPolarHBondContact O-CB 3.33Å; I1526-K1529 PolarHBondContact O-N 3.49Å; I1526-K1529 VanDerWaalsContact O-N 3.14Å; L1527-K1529 PolarHBondContact O-N 2.8Å; K1529-N1531 PolarHBondContact O-N 3.06Å; K1529-I1532 HydrophobicContact CB-CD1 3.91Å; K1529-I1532 HydrophobicContact CB-CG1 4.39Å |
| 1530 | K | 52.7 | Low | 68.7 | Low | 141 Ų | 141 | 46.8 Ų | 46.8 | 61% | 0.613 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | -14.1 | -167.3 | -69 | -174.2 | 175.8 | -178.8 | 0 | 117.7 | L1528 | L1528-K1530 PolarHBondContact O-N 3.05Å; L1528-K1530 VanDerWaalsContact O-N 3.11Å |
| 1531 | N | 56.1 | Low | 68.4 | Low | 138 Ų | 138 | 46.6 Ų | 46.6 | 74% | 0.738 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -110.8 | 1.2 | -165.5 | -64.4 | 16.6 | 0 | 0 | 0 | 115.1 | K1529 | K1529-N1531 PolarHBondContact O-N 3.06Š|
| 1532 | I | 58.7 | Low | 68.1 | Low | 29 Ų | 29 | 46.8 Ų | 46.8 | 15% | 0.149 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -87.5 | -29.9 | -171.6 | -53.1 | 176.8 | 0 | 0 | 0 | 112.8 | L1469 I1526 K1529 | L1469-I1532 HydrophobicContact CD2-CG2 4.2Å; I1526-I1532 HydrophobicContact CG2-CD1 4.36Å; K1529-I1532 HydrophobicContact CB-CD1 3.91Å; K1529-I1532 HydrophobicContact CB-CG1 4.39Å |
| 1533 | F | 59.4 | Low | 67.5 | Low | 17 Ų | 17 | 48.4 Ų | 48.4 | 8% | 0.075 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -131.9 | 148.2 | -174.4 | -62.3 | -77.4 | 0 | 0 | 0 | 112.2 | P1475 C1478 L1479 I1482 I1526 I1537 K1538 L1541 | P1475-F1533 HydrophobicContact CB-CD1 4.33Å; P1475-F1533 WeakPolarHBondContact O-CE1 3.37Å; C1478-F1533 HydrophobicContact CB-CE1 4.19Å; C1478-F1533 HydrophobicContact CB-CZ 4.12Å; L1479-F1533 HydrophobicContact CB-CE1 4.39Å; I1482-F1533 HydrophobicContact CD1-CE1 4.5Å; I1482-F1533 HydrophobicContact CD1-CE2 3.77Å; I1482-F1533 HydrophobicContact CD1-CZ 3.45Å; I1482-F1533 VanDerWaalsContact CD1-CZ 3.45Å; I1526-F1533 HydrophobicContact CG2-CE2 3.9Å; F1533-I1537 HydrophobicContact CB-CG2 4.44Å; F1533-I1537 HydrophobicContact CD1-CG2 4.08Å; F1533-K1538 HydrophobicContact CB-CB 4.2Å; F1533-L1541 HydrophobicContact CD1-CD1 4.42Å; F1533-L1541 HydrophobicContact CD2-CD1 4.28Å; F1533-L1541 HydrophobicContact CE1-CD1 4.43Å; F1533-L1541 HydrophobicContact CE2-CD1 4.3Å; F1533-L1541 HydrophobicContact CG-CD1 4.36Å; F1533-L1541 HydrophobicContact CZ-CD1 4.39Å |
| 1534 | I | 61.5 | Low | 67.3 | Low | 114 Ų | 114 | 51.1 Ų | 51.1 | 59% | 0.585 | 26% | 0.262 | S | S | * | . | trans | -59.6 | 139.3 | 170 | -57.6 | 173.8 | 0 | 0 | 0 | 108.8 | S1536 I1537 K1538 | I1534-S1536 PolarHBondContact O-N 3.24Å; I1534-I1537 HydrophobicContact CB-CD1 4.47Å; I1534-I1537 PolarHBondContact O-N 3.22Å; I1534-K1538 PolarHBondContact O-N 3.27Å | ||
| 1535 | N | 64.1 | Low | 67.2 | Low | 121 Ų | 121 | 51 Ų | 51 | 65% | 0.647 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -49.7 | -35.4 | -173.5 | -75.9 | -15.6 | 0 | 0 | 0 | 114.4 | N1539 | N1535-N1539 WeakPolarHBondContact O-CB 3.47Å; N1535-N1539 VanDerWaalsContact O-CG 3.25Å; N1535-N1539 PolarHBondContact O-N 3.34Å |
| 1536 | S | 61.2 | Low | 67 | Low | 73 Ų | 73 | 50.9 Ų | 50.9 | 51% | 0.51 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -66.3 | -42.6 | 176 | 48.8 | 0 | 0 | 0 | 0 | 113.6 | I1534 N1539 Q1540 | I1534-S1536 PolarHBondContact O-N 3.24Å; S1536-N1539 WeakPolarHBondContact O-CB 3.21Å; S1536-Q1540 PolarHBondContact O-N 3.35Å; S1536-Q1540 VanDerWaalsContact O-N 3.15Å |
| 1537 | I | 65.3 | Low | 66.9 | Low | 23 Ų | 23 | 53.3 Ų | 53.3 | 12% | 0.118 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -71.5 | -42.1 | 177.7 | -61.7 | 173 | 0 | 0 | 0 | 109.9 | L1479 F1533 I1534 N1539 Q1540 L1541 | L1479-I1537 HydrophobicContact CD1-CG2 4.01Å; L1479-I1537 HydrophobicContact CD2-CG2 4.04Å; F1533-I1537 HydrophobicContact CB-CG2 4.44Å; F1533-I1537 HydrophobicContact CD1-CG2 4.08Å; I1534-I1537 HydrophobicContact CB-CD1 4.47Å; I1534-I1537 PolarHBondContact O-N 3.22Å; I1537-N1539 VanDerWaalsContact C-N 3.35Å; I1537-N1539 PolarHBondContact O-N 2.62Å; I1537-Q1540 PolarHBondContact O-N 2.95Å; I1537-Q1540 VanDerWaalsContact O-N 3.14Å; I1537-L1541 HydrophobicContact CG2-CD1 4.18Å; I1537-L1541 PolarHBondContact O-N 3.43Å |
| 1538 | K | 69.1 | Low | 66.9 | Low | 29 Ų | 29 | 53.2 Ų | 53.2 | 13% | 0.126 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -56.9 | -48.8 | 172.8 | 175.3 | 166.2 | 170.3 | 161.7 | 0 | 111.3 | L1527 F1533 I1534 Q1540 L1541 E1542 | L1527-K1538 VanDerWaalsContact O-CE 3.24Å; L1527-K1538 WeakPolarHBondContact O-CE 3.5Å; L1527-K1538 PolarHBondContact O-NZ 2.8Å; F1533-K1538 HydrophobicContact CB-CB 4.2Å; I1534-K1538 PolarHBondContact O-N 3.27Å; K1538-Q1540 VanDerWaalsContact C-N 3.26Å; K1538-Q1540 PolarHBondContact O-N 3.46Å; K1538-L1541 PolarHBondContact O-N 3.13Å; K1538-L1541 VanDerWaalsContact O-N 3.11Å; K1538-E1542 WeakPolarHBondContact CE-OE1 3.14Å; K1538-E1542 HydrophobicContact CG-CG 4.33Å; K1538-E1542 IonicContact NZ-OE1 3.47Å; K1538-E1542 WeakPolarHBondContact O-CG 3.47Å; K1538-E1542 PolarHBondContact O-N 2.79Å |
| 1539 | N | 67.5 | Low | 66.9 | Low | 42 Ų | 42 | 50.4 Ų | 50.4 | 23% | 0.225 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -54.9 | -37.4 | 174.9 | -92.7 | 3.3 | 0 | 0 | 0 | 113 | N1535 S1536 I1537 N1543 N1583 Y1584 | N1535-N1539 WeakPolarHBondContact O-CB 3.47Å; N1535-N1539 VanDerWaalsContact O-CG 3.25Å; N1535-N1539 PolarHBondContact O-N 3.34Å; S1536-N1539 WeakPolarHBondContact O-CB 3.21Å; I1537-N1539 VanDerWaalsContact C-N 3.35Å; I1537-N1539 PolarHBondContact O-N 2.62Å; N1539-N1543 PolarHBondContact O-N 2.75Å; N1539-N1543 PolarHBondContact O-ND2 3.4Å; N1539-N1583 PolarHBondContact OD1-ND2 2.89Å; N1539-N1583 VanDerWaalsContact OD1-ND2 3.12Å; N1539-Y1584 WeakPolarHBondContact CA-OH 3.42Å; N1539-Y1584 WeakPolarHBondContact CB-OH 3.48Å; N1539-Y1584 VanDerWaalsContact CG-OH 3.27Å; N1539-Y1584 PolarHBondContact O-OH 3.05Å; N1539-Y1584 VanDerWaalsContact O-OH 3.04Å |
| 1540 | Q | 69.8 | Low | 67.1 | Low | 126 Ų | 126 | 48.9 Ų | 48.9 | 59% | 0.589 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -72.1 | -42 | 174.8 | -73.4 | 175.7 | -28.2 | 0 | 0 | 112.4 | S1536 I1537 K1538 N1543 L1544 | S1536-Q1540 PolarHBondContact O-N 3.35Å; S1536-Q1540 VanDerWaalsContact O-N 3.15Å; I1537-Q1540 PolarHBondContact O-N 2.95Å; I1537-Q1540 VanDerWaalsContact O-N 3.14Å; K1538-Q1540 VanDerWaalsContact C-N 3.26Å; K1538-Q1540 PolarHBondContact O-N 3.46Å; Q1540-N1543 WeakPolarHBondContact O-CB 3.24Å; Q1540-N1543 PolarHBondContact O-N 3.32Å; Q1540-L1544 WeakPolarHBondContact O-CG 3.45Å; Q1540-L1544 PolarHBondContact O-N 2.99Å |
| 1541 | L | 71.5 | Confident | 68 | Low | 1 Ų | 1 | 45.4 Ų | 45.4 | 1% | 0.005 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -68.1 | -34.6 | 178.6 | -72.8 | 171.5 | 0 | 0 | 0 | 113.3 | L1479 I1482 F1486 L1527 F1533 I1537 K1538 L1544 L1545 | L1479-L1541 HydrophobicContact CD1-CD1 3.94Å; L1479-L1541 HydrophobicContact CD1-CD2 3.74Å; L1479-L1541 HydrophobicContact CD1-CG 4Å; I1482-L1541 HydrophobicContact CG2-CD2 3.82Å; F1486-L1541 HydrophobicContact CE2-CD2 3.93Å; L1527-L1541 HydrophobicContact CD1-CB 4.04Å; L1527-L1541 HydrophobicContact CD2-CB 3.49Å; L1527-L1541 VanDerWaalsContact CD2-CB 3.49Å; L1527-L1541 HydrophobicContact CD2-CD1 3.91Å; L1527-L1541 HydrophobicContact CD2-CG 4.35Å; L1527-L1541 HydrophobicContact CG-CB 4.4Å; F1533-L1541 HydrophobicContact CD1-CD1 4.42Å; F1533-L1541 HydrophobicContact CD2-CD1 4.28Å; F1533-L1541 HydrophobicContact CE1-CD1 4.43Å; F1533-L1541 HydrophobicContact CE2-CD1 4.3Å; F1533-L1541 HydrophobicContact CG-CD1 4.36Å; F1533-L1541 HydrophobicContact CZ-CD1 4.39Å; I1537-L1541 HydrophobicContact CG2-CD1 4.18Å; I1537-L1541 PolarHBondContact O-N 3.43Å; K1538-L1541 PolarHBondContact O-N 3.13Å; K1538-L1541 VanDerWaalsContact O-N 3.11Å; L1541-L1544 HydrophobicContact CD2-CD1 4.29Å; L1541-L1544 PolarHBondContact O-N 3.46Å; L1541-L1545 PolarHBondContact O-N 2.91Å |
| 1542 | E | 72.6 | Confident | 68.7 | Low | 10 Ų | 10 | 38.8 Ų | 38.8 | 5% | 0.047 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -62.4 | -43.1 | 172.1 | -72 | 174.4 | 167.5 | 0 | 0 | 111.2 | L1527 K1538 L1545 I1546 F1580 | L1527-E1542 HydrophobicContact CD1-CG 4.26Å; K1538-E1542 WeakPolarHBondContact CE-OE1 3.14Å; K1538-E1542 HydrophobicContact CG-CG 4.33Å; K1538-E1542 IonicContact NZ-OE1 3.47Å; K1538-E1542 WeakPolarHBondContact O-CG 3.47Å; K1538-E1542 PolarHBondContact O-N 2.79Å; E1542-L1545 PolarHBondContact O-N 2.79Å; E1542-I1546 WeakPolarHBondContact O-CG1 3.36Å; E1542-I1546 PolarHBondContact O-N 3.18Å; E1542-F1580 HydrophobicContact CB-CD2 4.06Å; E1542-F1580 HydrophobicContact CB-CE2 4.2Å; E1542-F1580 HydrophobicContact CB-CG 4.25Å; E1542-F1580 HydrophobicContact CB-CZ 4.49Å; E1542-F1580 HydrophobicContact CG-CD1 3.93Å; E1542-F1580 HydrophobicContact CG-CD2 4.18Å; E1542-F1580 HydrophobicContact CG-CE1 3.76Å; E1542-F1580 HydrophobicContact CG-CE2 4.03Å; E1542-F1580 HydrophobicContact CG-CG 4.16Å; E1542-F1580 HydrophobicContact CG-CZ 3.82Å; E1542-F1580 VanDerWaalsContact OE1-CD1 3.27Å; E1542-F1580 WeakPolarHBondContact OE1-CD1 3.2Å; E1542-F1580 WeakPolarHBondContact OE1-CE1 3.5Å |
| 1543 | N | 70.5 | Confident | 69.2 | Low | 33 Ų | 33 | 37.4 Ų | 37.4 | 18% | 0.176 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -63.3 | -39.3 | 172.4 | -82.7 | -70.2 | 0 | 0 | 0 | 112.6 | N1539 Q1540 I1546 F1547 Y1584 Q1593 | N1539-N1543 PolarHBondContact O-N 2.75Å; N1539-N1543 PolarHBondContact O-ND2 3.4Å; Q1540-N1543 WeakPolarHBondContact O-CB 3.24Å; Q1540-N1543 PolarHBondContact O-N 3.32Å; N1543-I1546 PolarHBondContact O-N 2.68Å; N1543-F1547 VanDerWaalsContact O-CB 3.23Å; N1543-F1547 WeakPolarHBondContact O-CB 3.13Å; N1543-F1547 PolarHBondContact O-N 2.91Å; N1543-Y1584 VanDerWaalsContact ND2-CZ 3.32Å; N1543-Y1584 PolarHBondContact ND2-OH 3.43Å; N1543-Q1593 PolarHBondContact OD1-NE2 2.99Å |
| 1544 | L | 73.4 | Confident | 69.5 | Low | 59 Ų | 59 | 37.7 Ų | 37.7 | 31% | 0.309 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -67.8 | -34.7 | 175.7 | -74.1 | 166.7 | 0 | 0 | 0 | 112.4 | L1483 F1486 Q1540 L1541 T1548 | L1483-L1544 HydrophobicContact CD2-CD1 4.05Å; F1486-L1544 HydrophobicContact CD2-CB 4.44Å; F1486-L1544 HydrophobicContact CE2-CB 3.84Å; F1486-L1544 HydrophobicContact CZ-CB 4.01Å; Q1540-L1544 WeakPolarHBondContact O-CG 3.45Å; Q1540-L1544 PolarHBondContact O-N 2.99Å; L1541-L1544 HydrophobicContact CD2-CD1 4.29Å; L1541-L1544 PolarHBondContact O-N 3.46Å; L1544-T1548 WeakPolarHBondContact O-CB 3.4Å; L1544-T1548 WeakPolarHBondContact O-CG2 3.28Å; L1544-T1548 PolarHBondContact O-N 3.31Å; L1544-T1548 PolarHBondContact O-OG1 2.77Å |
| 1545 | L | 74.8 | Confident | 69.5 | Low | 1 Ų | 1 | 33.4 Ų | 33.4 | 1% | 0.005 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -68.4 | -42.1 | 174.1 | -176.7 | 61.9 | 0 | 0 | 0 | 112 | F1486 T1520 I1523 Q1524 L1527 L1541 E1542 T1548 L1549 | F1486-L1545 HydrophobicContact CE1-CD1 4.23Å; F1486-L1545 HydrophobicContact CZ-CB 4.15Å; T1520-L1545 HydrophobicContact CG2-CD1 4.44Å; I1523-L1545 HydrophobicContact CB-CD1 4.4Å; I1523-L1545 HydrophobicContact CG2-CD1 4.2Å; Q1524-L1545 HydrophobicContact CB-CD2 3.9Å; Q1524-L1545 HydrophobicContact CG-CD2 4.26Å; L1527-L1545 HydrophobicContact CD1-CB 4.16Å; L1527-L1545 HydrophobicContact CD1-CD2 4.05Å; L1541-L1545 PolarHBondContact O-N 2.91Å; E1542-L1545 PolarHBondContact O-N 2.79Å; L1545-T1548 WeakPolarHBondContact CA-OG1 3.18Å; L1545-T1548 PolarHBondContact O-OG1 3.4Å; L1545-L1549 HydrophobicContact CD1-CD1 4.38Å; L1545-L1549 HydrophobicContact CG-CD1 4.33Å; L1545-L1549 WeakPolarHBondContact O-CG 3.43Å; L1545-L1549 PolarHBondContact O-N 2.79Å; L1545-L1549 VanDerWaalsContact O-N 3.12Å |
| 1546 | I | 72.3 | Confident | 69.4 | Low | 9 Ų | 9 | 28 Ų | 28 | 5% | 0.046 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -63.5 | -47.7 | 172.9 | -66.5 | 169.2 | 0 | 0 | 0 | 110.1 | E1542 N1543 T1548 L1549 I1550 C1576 Q1577 F1580 Q1593 | E1542-I1546 WeakPolarHBondContact O-CG1 3.36Å; E1542-I1546 PolarHBondContact O-N 3.18Å; N1543-I1546 PolarHBondContact O-N 2.68Å; I1546-T1548 PolarHBondContact O-N 2.89Å; I1546-L1549 PolarHBondContact O-N 3.37Å; I1546-I1550 HydrophobicContact CG2-CD1 3.7Å; I1546-I1550 HydrophobicContact CG2-CG1 4.39Å; I1546-I1550 WeakPolarHBondContact O-CB 3.5Å; I1546-I1550 WeakPolarHBondContact O-CG1 3.46Å; I1546-I1550 PolarHBondContact O-N 2.79Å; I1546-C1576 HydrophobicContact CG1-CB 4.28Å; I1546-Q1577 HydrophobicContact CD1-CB 4.42Å; I1546-F1580 HydrophobicContact CD1-CD2 4.18Å; I1546-Q1593 HydrophobicContact CG2-CB 4.49Å; I1546-Q1593 HydrophobicContact CG2-CG 4.28Å |
| 1547 | F | 73.3 | Confident | 69.3 | Low | 53 Ų | 53 | 25.8 Ų | 25.8 | 23% | 0.232 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -62.6 | -39.6 | -179.2 | -179.1 | -94.6 | 0 | 0 | 0 | 112.6 | F1490 N1543 I1550 Y1551 W1592 | F1490-F1547 HydrophobicContact CE1-CE1 4.39Å; F1490-F1547 HydrophobicContact CZ-CD1 4.14Å; F1490-F1547 HydrophobicContact CZ-CE1 4.11Å; N1543-F1547 VanDerWaalsContact O-CB 3.23Å; N1543-F1547 WeakPolarHBondContact O-CB 3.13Å; N1543-F1547 PolarHBondContact O-N 2.91Å; F1547-I1550 PolarHBondContact O-N 3.38Å; F1547-Y1551 VanDerWaalsContact O-CB 3.28Å; F1547-Y1551 WeakPolarHBondContact O-CB 3.47Å; F1547-Y1551 PolarHBondContact O-N 2.86Å; F1547-W1592 HydrophobicContact CD2-CH2 4.32Å; F1547-W1592 HydrophobicContact CD2-CZ3 4.32Å; F1547-W1592 AromaticContact CE2-CH2 3.66Å; F1547-W1592 HydrophobicContact CE2-CH2 3.66Å; F1547-W1592 HydrophobicContact CE2-CZ2 4.36Å; F1547-W1592 HydrophobicContact CE2-CZ3 4.1Å |
| 1548 | T | 72.1 | Confident | 68.7 | Low | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -66.4 | -47 | 175.9 | 43.2 | 0 | 0 | 0 | 0 | 111.8 | F1486 F1490 L1544 L1545 I1546 I1550 Y1551 F1552 | F1486-T1548 HydrophobicContact CD1-CG2 3.65Å; F1486-T1548 HydrophobicContact CE1-CG2 3.96Å; F1486-T1548 WeakPolarHBondContact CE1-OG1 3.44Å; F1486-T1548 HydrophobicContact CG-CG2 4.43Å; F1490-T1548 HydrophobicContact CD2-CG2 4.34Å; F1490-T1548 HydrophobicContact CE1-CG2 3.86Å; F1490-T1548 HydrophobicContact CE2-CG2 3.57Å; F1490-T1548 HydrophobicContact CZ-CG2 3.3Å; L1544-T1548 WeakPolarHBondContact O-CB 3.4Å; L1544-T1548 WeakPolarHBondContact O-CG2 3.28Å; L1544-T1548 PolarHBondContact O-N 3.31Å; L1544-T1548 PolarHBondContact O-OG1 2.77Å; L1545-T1548 WeakPolarHBondContact CA-OG1 3.18Å; L1545-T1548 PolarHBondContact O-OG1 3.4Å; I1546-T1548 PolarHBondContact O-N 2.89Å; T1548-I1550 VanDerWaalsContact C-N 3.27Å; T1548-I1550 PolarHBondContact O-N 2.81Å; T1548-Y1551 PolarHBondContact O-N 2.82Å; T1548-Y1551 VanDerWaalsContact O-N 3.09Å; T1548-F1552 HydrophobicContact CG2-CE1 4.13Å; T1548-F1552 HydrophobicContact CG2-CZ 4.38Å; T1548-F1552 WeakPolarHBondContact O-CB 3.49Å; T1548-F1552 WeakPolarHBondContact O-CD1 3.4Å; T1548-F1552 WeakPolarHBondContact O-CG 3.07Å; T1548-F1552 PolarHBondContact O-N 3.19Å |
| 1549 | L | 72 | Confident | 67.8 | Low | 3 Ų | 3 | 27.9 Ų | 27.9 | 2% | 0.016 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -59.5 | -37.4 | 174.4 | -70.1 | 167.5 | 0 | 0 | 0 | 112.5 | T1520 L1545 I1546 T1553 N1572 A1573 | T1520-L1549 HydrophobicContact CG2-CD2 3.9Å; T1520-L1549 HydrophobicContact CG2-CG 4.44Å; L1545-L1549 HydrophobicContact CD1-CD1 4.38Å; L1545-L1549 HydrophobicContact CG-CD1 4.33Å; L1545-L1549 WeakPolarHBondContact O-CG 3.43Å; L1545-L1549 PolarHBondContact O-N 2.79Å; L1545-L1549 VanDerWaalsContact O-N 3.12Å; I1546-L1549 PolarHBondContact O-N 3.37Å; L1549-T1553 WeakPolarHBondContact O-CB 3.49Å; L1549-T1553 WeakPolarHBondContact O-CG2 3.37Å; L1549-T1553 PolarHBondContact O-N 2.78Å; L1549-T1553 VanDerWaalsContact O-N 3.14Å; L1549-T1553 PolarHBondContact O-OG1 3.36Å; L1549-N1572 HydrophobicContact CD1-CB 4.45Å; L1549-A1573 HydrophobicContact CB-CB 3.93Å |
| 1550 | I | 71 | Confident | 67 | Low | 4 Ų | 4 | 27 Ų | 27 | 2% | 0.021 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -67.4 | -41.8 | 172.7 | -71.4 | 175.3 | 0 | 0 | 0 | 111.6 | I1546 F1547 T1548 T1553 E1554 Q1593 K1596 L1600 | I1546-I1550 HydrophobicContact CG2-CD1 3.7Å; I1546-I1550 HydrophobicContact CG2-CG1 4.39Å; I1546-I1550 WeakPolarHBondContact O-CB 3.5Å; I1546-I1550 WeakPolarHBondContact O-CG1 3.46Å; I1546-I1550 PolarHBondContact O-N 2.79Å; F1547-I1550 PolarHBondContact O-N 3.38Å; T1548-I1550 VanDerWaalsContact C-N 3.27Å; T1548-I1550 PolarHBondContact O-N 2.81Å; I1550-T1553 WeakPolarHBondContact CA-OG1 3.42Å; I1550-T1553 PolarHBondContact O-N 3.33Å; I1550-T1553 PolarHBondContact O-OG1 3.42Å; I1550-E1554 WeakPolarHBondContact O-CB 3.18Å; I1550-E1554 PolarHBondContact O-N 3.44Å; I1550-Q1593 HydrophobicContact CD1-CB 4.09Å; I1550-Q1593 HydrophobicContact CD1-CG 4.39Å; I1550-K1596 HydrophobicContact CG2-CB 3.86Å; I1550-K1596 HydrophobicContact CG2-CD 3.88Å; I1550-L1600 HydrophobicContact CG2-CD1 3.93Å; I1550-L1600 WeakPolarHBondContact O-CD1 3.28Å |
| 1551 | Y | 71.9 | Confident | 66.2 | Low | 68 Ų | 68 | 21.7 Ų | 21.7 | 27% | 0.267 | 11% | 0.11 | S | C | . | . | H | α-helix | trans | -68.2 | -38.9 | 178.5 | -175.9 | -105.3 | 0 | 0 | 0 | 112.4 | F1490 F1547 T1548 T1553 E1554 L1555 | F1490-Y1551 AromaticContact CD1-CD1 3.56Å; F1490-Y1551 HydrophobicContact CD1-CD1 3.56Å; F1490-Y1551 AromaticContact CD1-CE1 3.58Å; F1490-Y1551 HydrophobicContact CD1-CE1 3.58Å; F1490-Y1551 HydrophobicContact CD1-CG 4.48Å; F1490-Y1551 AromaticContact CE1-CD1 3.43Å; F1490-Y1551 HydrophobicContact CE1-CD1 3.43Å; F1490-Y1551 VanDerWaalsContact CE1-CD1 3.43Å; F1490-Y1551 AromaticContact CE1-CE1 3.82Å; F1490-Y1551 HydrophobicContact CE1-CE1 3.82Å; F1490-Y1551 AromaticContact CE1-CG 3.93Å; F1490-Y1551 HydrophobicContact CE1-CG 3.93Å; F1547-Y1551 VanDerWaalsContact O-CB 3.28Å; F1547-Y1551 WeakPolarHBondContact O-CB 3.47Å; F1547-Y1551 PolarHBondContact O-N 2.86Å; T1548-Y1551 PolarHBondContact O-N 2.82Å; T1548-Y1551 VanDerWaalsContact O-N 3.09Å; Y1551-T1553 VanDerWaalsContact C-N 3.31Å; Y1551-T1553 PolarHBondContact O-N 3.28Å; Y1551-E1554 PolarHBondContact O-N 3.19Å; Y1551-L1555 HydrophobicContact CD1-CD1 3.86Å; Y1551-L1555 HydrophobicContact CD1-CG 4.47Å; Y1551-L1555 HydrophobicContact CE1-CD1 3.29Å; Y1551-L1555 HydrophobicContact CE1-CG 4.19Å; Y1551-L1555 HydrophobicContact CE2-CD1 4.2Å; Y1551-L1555 HydrophobicContact CE2-CG 4.36Å; Y1551-L1555 VanDerWaalsContact CZ-CD1 3.49Å; Y1551-L1555 WeakPolarHBondContact O-CB 3.48Å; Y1551-L1555 WeakPolarHBondContact O-CG 3.32Å; Y1551-L1555 PolarHBondContact O-N 3Å |
| 1552 | F | 70.9 | Confident | 65.5 | Low | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -66.1 | -38.7 | 177.8 | -65 | 9.6 | 0 | 0 | 0 | 110.5 | F1490 I1493 T1520 T1548 I1556 W1569 | F1490-F1552 HydrophobicContact CD1-CE1 4.44Å; I1493-F1552 HydrophobicContact CD1-CB 3.97Å; I1493-F1552 HydrophobicContact CD1-CD1 3.27Å; I1493-F1552 HydrophobicContact CD1-CD2 3.56Å; I1493-F1552 HydrophobicContact CD1-CE1 3.61Å; I1493-F1552 HydrophobicContact CD1-CE2 3.83Å; I1493-F1552 HydrophobicContact CD1-CG 3.3Å; I1493-F1552 HydrophobicContact CD1-CZ 3.89Å; T1520-F1552 HydrophobicContact CG2-CD2 4.23Å; T1520-F1552 HydrophobicContact CG2-CE2 3.51Å; T1520-F1552 HydrophobicContact CG2-CZ 4.26Å; T1548-F1552 HydrophobicContact CG2-CE1 4.13Å; T1548-F1552 HydrophobicContact CG2-CZ 4.38Å; T1548-F1552 WeakPolarHBondContact O-CB 3.49Å; T1548-F1552 WeakPolarHBondContact O-CD1 3.4Å; T1548-F1552 WeakPolarHBondContact O-CG 3.07Å; T1548-F1552 PolarHBondContact O-N 3.19Å; F1552-I1556 WeakPolarHBondContact O-CG1 3.3Å; F1552-I1556 PolarHBondContact O-N 3.5Å; F1552-I1556 VanDerWaalsContact O-N 3.11Å; F1552-W1569 HydrophobicContact CB-CE3 3.6Å; F1552-W1569 HydrophobicContact CB-CZ3 3.6Å; F1552-W1569 HydrophobicContact CD2-CE3 4.48Å; F1552-W1569 HydrophobicContact CD2-CH2 4.5Å; F1552-W1569 HydrophobicContact CD2-CZ3 4.3Å; F1552-W1569 HydrophobicContact CG-CZ3 4.36Å |
| 1553 | T | 68.2 | Low | 65.1 | Low | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -73.9 | -39.5 | 175.1 | 48 | 0 | 0 | 0 | 0 | 112 | L1549 I1550 Y1551 I1556 T1557 I1566 W1569 L1570 | L1549-T1553 WeakPolarHBondContact O-CB 3.49Å; L1549-T1553 WeakPolarHBondContact O-CG2 3.37Å; L1549-T1553 PolarHBondContact O-N 2.78Å; L1549-T1553 VanDerWaalsContact O-N 3.14Å; L1549-T1553 PolarHBondContact O-OG1 3.36Å; I1550-T1553 WeakPolarHBondContact CA-OG1 3.42Å; I1550-T1553 PolarHBondContact O-N 3.33Å; I1550-T1553 PolarHBondContact O-OG1 3.42Å; Y1551-T1553 VanDerWaalsContact C-N 3.31Å; Y1551-T1553 PolarHBondContact O-N 3.28Å; T1553-I1556 PolarHBondContact O-N 3.43Å; T1553-T1557 WeakPolarHBondContact O-CG2 3.35Å; T1553-T1557 PolarHBondContact O-N 2.91Å; T1553-T1557 PolarHBondContact O-OG1 3.29Å; T1553-I1566 HydrophobicContact CG2-CG2 4.3Å; T1553-W1569 HydrophobicContact CG2-CB 3.4Å; T1553-W1569 HydrophobicContact CG2-CE3 4.47Å; T1553-L1570 HydrophobicContact CG2-CD2 4.15Å; T1553-L1570 HydrophobicContact CG2-CG 3.78Å |
| 1554 | E | 66.5 | Low | 64.9 | Low | 23 Ų | 23 | 25.7 Ų | 25.7 | 11% | 0.107 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -57.3 | -51.7 | 172.7 | -172 | 153.2 | -137.6 | 0 | 0 | 111.3 | I1550 Y1551 I1556 T1557 I1558 K1596 K1599 L1600 | I1550-E1554 WeakPolarHBondContact O-CB 3.18Å; I1550-E1554 PolarHBondContact O-N 3.44Å; Y1551-E1554 PolarHBondContact O-N 3.19Å; E1554-I1556 PolarHBondContact O-N 2.96Å; E1554-T1557 PolarHBondContact O-N 2.88Å; E1554-T1557 PolarHBondContact O-OG1 3.49Å; E1554-I1558 HydrophobicContact CG-CD1 4.29Å; E1554-I1558 WeakPolarHBondContact O-CD1 3.41Å; E1554-I1558 WeakPolarHBondContact O-CG1 3.3Å; E1554-I1558 PolarHBondContact O-N 3.03Å; E1554-K1596 IonicContact OE2-NZ 3.11Å; E1554-K1596 PolarHBondContact OE2-NZ 2.9Å; E1554-K1599 IonicContact OE1-NZ 3.27Å; E1554-K1599 PolarHBondContact OE1-NZ 3.29Å; E1554-L1600 HydrophobicContact CB-CD1 3.93Å; E1554-L1600 HydrophobicContact CB-CD2 3.77Å; E1554-L1600 HydrophobicContact CB-CG 4.44Å; E1554-L1600 HydrophobicContact CG-CD2 3.93Å |
| 1555 | L | 62.5 | Low | 64.5 | Low | 24 Ų | 24 | 23.7 Ų | 23.7 | 13% | 0.126 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -62.5 | -42 | 178.4 | -70.4 | -178.8 | 0 | 0 | 0 | 112.7 | I1493 T1497 Y1551 I1558 Q1559 | I1493-L1555 HydrophobicContact CG2-CB 4.38Å; I1493-L1555 HydrophobicContact CG2-CD1 3.42Å; I1493-L1555 VanDerWaalsContact CG2-CD1 3.42Å; T1497-L1555 HydrophobicContact CG2-CB 4.43Å; T1497-L1555 HydrophobicContact CG2-CD1 3.83Å; T1497-L1555 HydrophobicContact CG2-CD2 4.27Å; T1497-L1555 HydrophobicContact CG2-CG 4.43Å; Y1551-L1555 HydrophobicContact CD1-CD1 3.86Å; Y1551-L1555 HydrophobicContact CD1-CG 4.47Å; Y1551-L1555 HydrophobicContact CE1-CD1 3.29Å; Y1551-L1555 HydrophobicContact CE1-CG 4.19Å; Y1551-L1555 HydrophobicContact CE2-CD1 4.2Å; Y1551-L1555 HydrophobicContact CE2-CG 4.36Å; Y1551-L1555 VanDerWaalsContact CZ-CD1 3.49Å; Y1551-L1555 WeakPolarHBondContact O-CB 3.48Å; Y1551-L1555 WeakPolarHBondContact O-CG 3.32Å; Y1551-L1555 PolarHBondContact O-N 3Å; L1555-I1558 PolarHBondContact O-N 3.49Å; L1555-Q1559 WeakPolarHBondContact O-CB 3.25Å; L1555-Q1559 WeakPolarHBondContact O-CG 3.22Å; L1555-Q1559 PolarHBondContact O-N 3.41Å |
| 1556 | I | 61.6 | Low | 64.1 | Low | 7 Ų | 7 | 24 Ų | 24 | 4% | 0.036 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -74.1 | -31.4 | 179.5 | -62.4 | -168 | 0 | 0 | 0 | 113.2 | F1509 F1552 T1553 E1554 I1558 Q1559 S1560 I1566 W1569 | F1509-I1556 HydrophobicContact CD2-CD1 4.17Å; F1509-I1556 HydrophobicContact CE1-CD1 4.2Å; F1509-I1556 HydrophobicContact CE2-CD1 3.31Å; F1509-I1556 HydrophobicContact CZ-CD1 3.31Å; F1552-I1556 WeakPolarHBondContact O-CG1 3.3Å; F1552-I1556 PolarHBondContact O-N 3.5Å; F1552-I1556 VanDerWaalsContact O-N 3.11Å; T1553-I1556 PolarHBondContact O-N 3.43Å; E1554-I1556 PolarHBondContact O-N 2.96Å; I1556-I1558 PolarHBondContact O-N 2.89Å; I1556-Q1559 CarbonylContact O-C 3.56Å; I1556-Q1559 PolarHBondContact O-N 2.91Å; I1556-S1560 VanDerWaalsContact CG2-OG 3.29Å; I1556-S1560 WeakPolarHBondContact CG2-OG 3.46Å; I1556-S1560 PolarHBondContact O-N 2.86Å; I1556-I1566 HydrophobicContact CB-CG1 4.17Å; I1556-I1566 HydrophobicContact CG2-CD1 3.96Å; I1556-I1566 HydrophobicContact CG2-CG1 3.53Å; I1556-W1569 HydrophobicContact CD1-CE3 4.08Å; I1556-W1569 HydrophobicContact CD1-CH2 3.73Å; I1556-W1569 HydrophobicContact CD1-CZ3 3.24Å; I1556-W1569 HydrophobicContact CG1-CZ3 4.08Å |
| 1557 | T | 58.5 | Low | 64 | Low | 27 Ų | 27 | 27.7 Ų | 27.7 | 17% | 0.166 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -59.1 | -34.7 | 170.4 | 53.2 | 0 | 0 | 0 | 0 | 112.3 | T1553 E1554 Q1559 I1566 L1600 | T1553-T1557 WeakPolarHBondContact O-CG2 3.35Å; T1553-T1557 PolarHBondContact O-N 2.91Å; T1553-T1557 PolarHBondContact O-OG1 3.29Å; E1554-T1557 PolarHBondContact O-N 2.88Å; E1554-T1557 PolarHBondContact O-OG1 3.49Å; T1557-Q1559 PolarHBondContact O-N 3.31Å; T1557-I1566 HydrophobicContact CG2-CD1 4.07Å; T1557-I1566 HydrophobicContact CG2-CG2 3.6Å; T1557-L1600 HydrophobicContact CG2-CD2 4.44Å |
| 1558 | I | 52.9 | Low | 63.9 | Low | 63 Ų | 63 | 26 Ų | 26 | 32% | 0.323 | 13% | 0.127 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | -14.4 | 175.7 | -65.3 | 162.9 | 0 | 0 | 0 | 111.6 | E1554 L1555 I1556 K2082 I2083 | E1554-I1558 HydrophobicContact CG-CD1 4.29Å; E1554-I1558 WeakPolarHBondContact O-CD1 3.41Å; E1554-I1558 WeakPolarHBondContact O-CG1 3.3Å; E1554-I1558 PolarHBondContact O-N 3.03Å; L1555-I1558 PolarHBondContact O-N 3.49Å; I1556-I1558 PolarHBondContact O-N 2.89Å; I1558-K2082 VanDerWaalsContact O-CB 3.3Å; I1558-K2082 WeakPolarHBondContact O-CB 3.42Å; I1558-I2083 HydrophobicContact CG1-CD1 4.49Å; I1558-I2083 HydrophobicContact CG2-CD1 4.11Å; I1558-I2083 HydrophobicContact CG2-CG1 4.24Å |
| 1559 | Q | 50.4 | Low | 63.8 | Low | 32 Ų | 32 | 26 Ų | 26 | 15% | 0.15 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -137.7 | -15.8 | -153.4 | -76.8 | -171.9 | -6.7 | 0 | 0 | 118.7 | T1497 Q1500 L1555 I1556 T1557 K2082 | T1497-Q1559 VanDerWaalsContact CG2-OE1 3.28Å; Q1500-Q1559 VanDerWaalsContact CD-OE1 3.25Å; Q1500-Q1559 VanDerWaalsContact OE1-CG 3.24Å; L1555-Q1559 WeakPolarHBondContact O-CB 3.25Å; L1555-Q1559 WeakPolarHBondContact O-CG 3.22Å; L1555-Q1559 PolarHBondContact O-N 3.41Å; I1556-Q1559 CarbonylContact O-C 3.56Å; I1556-Q1559 PolarHBondContact O-N 2.91Å; T1557-Q1559 PolarHBondContact O-N 3.31Å; Q1559-K2082 WeakPolarHBondContact O-CD 3.12Å; Q1559-K2082 PolarHBondContact O-NZ 3.02Å |
| 1560 | S | 51.3 | Low | 63.8 | Low | 23 Ų | 23 | 26.1 Ų | 26.1 | 16% | 0.161 | 13% | 0.127 | C | C | . | . | trans | -140.4 | 139.3 | 178.4 | 106.5 | 0 | 0 | 0 | 0 | 112.8 | I1556 N1562 | I1556-S1560 VanDerWaalsContact CG2-OG 3.29Å; I1556-S1560 WeakPolarHBondContact CG2-OG 3.46Å; I1556-S1560 PolarHBondContact O-N 2.86Å; S1560-N1562 PolarHBondContact O-N 3.11Å; S1560-N1562 PolarHBondContact OG-N 3.21Å; S1560-N1562 VanDerWaalsContact OG-N 3.15Å | ||
| 1561 | S | 51.6 | Low | 63.8 | Low | 16 Ų | 16 | 30.1 Ų | 30.1 | 11% | 0.112 | 15% | 0.148 | C | C | . | . | S | Bend | trans | -76.7 | 4.7 | 170.6 | 21.7 | 0 | 0 | 0 | 0 | 112.9 | I1563 N2094 K2097 | S1561-I1563 PolarHBondContact O-N 2.78Å; S1561-N2094 PolarHBondContact OG-OD1 2.79Å; S1561-N2094 VanDerWaalsContact OG-OD1 3.1Å; S1561-K2097 PolarHBondContact OG-NZ 3.29Å |
| 1562 | N | 56.7 | Low | 63.6 | Low | 32 Ų | 32 | 27.7 Ų | 27.7 | 17% | 0.171 | 14% | 0.14 | C | C | . | . | trans | -93.7 | 74.7 | -175.6 | -155.9 | -5.4 | 0 | 0 | 0 | 111.1 | S1560 Y1564 Y1565 | S1560-N1562 PolarHBondContact O-N 3.11Å; S1560-N1562 PolarHBondContact OG-N 3.21Å; S1560-N1562 VanDerWaalsContact OG-N 3.15Å; N1562-Y1564 PolarHBondContact O-N 2.9Å; N1562-Y1565 HydrophobicContact CB-CD2 4.25Å; N1562-Y1565 WeakPolarHBondContact ND2-CE2 3.4Å; N1562-Y1565 PolarHBondContact O-N 3.12Å | ||
| 1563 | I | 64.7 | Low | 63.5 | Low | 47 Ų | 47 | 27.8 Ų | 27.8 | 24% | 0.241 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -46.2 | -32.2 | -175.1 | -60.9 | 168 | 0 | 0 | 0 | 112.8 | S1561 Y1565 I1566 K1567 L1604 E1607 Q1608 | S1561-I1563 PolarHBondContact O-N 2.78Å; I1563-Y1565 PolarHBondContact O-N 3.16Å; I1563-I1566 PolarHBondContact O-N 3.37Å; I1563-K1567 WeakPolarHBondContact O-CB 3.45Å; I1563-K1567 PolarHBondContact O-N 2.92Å; I1563-L1604 HydrophobicContact CG2-CD1 4.24Å; I1563-L1604 HydrophobicContact CG2-CG 4.36Å; I1563-E1607 HydrophobicContact CD1-CB 4.35Å; I1563-E1607 WeakPolarHBondContact CD1-O 3.4Å; I1563-E1607 HydrophobicContact CG1-CB 4.38Å; I1563-Q1608 HydrophobicContact CD1-CG 4.2Å; I1563-Q1608 HydrophobicContact CG2-CG 4.01Å |
| 1564 | Y | 65.3 | Low | 63.5 | Low | 49 Ų | 49 | 29.5 Ų | 29.5 | 19% | 0.192 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -54.4 | -54 | -179.1 | 172.3 | -100.3 | 0 | 0 | 0 | 113.9 | G1333 N1562 I1566 K1567 N1568 | G1333-Y1564 VanDerWaalsContact CA-CE1 3.48Å; G1333-Y1564 VanDerWaalsContact CA-CZ 3.49Å; G1333-Y1564 WeakPolarHBondContact O-CE2 3.5Å; G1333-Y1564 PolarHBondContact O-OH 3.21Å; N1562-Y1564 PolarHBondContact O-N 2.9Å; Y1564-I1566 VanDerWaalsContact C-N 3.29Å; Y1564-I1566 PolarHBondContact O-N 3.46Å; Y1564-K1567 CarbonylContact O-C 3.55Å; Y1564-K1567 WeakPolarHBondContact O-CB 3.43Å; Y1564-K1567 PolarHBondContact O-N 2.92Å; Y1564-K1567 VanDerWaalsContact O-N 3.1Å; Y1564-N1568 HydrophobicContact CE1-CB 4.32Å; Y1564-N1568 HydrophobicContact CE2-CB 4.48Å; Y1564-N1568 PolarHBondContact O-N 2.79Å |
| 1565 | Y | 65.1 | Low | 63.6 | Low | 17 Ų | 17 | 34 Ų | 34 | 7% | 0.067 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -65.3 | -38.5 | -173.2 | -67.1 | -69.9 | 0 | 0 | 0 | 111.2 | F1509 E1513 N1562 I1563 N1568 W1569 | F1509-Y1565 HydrophobicContact CE1-CD1 4.45Å; F1509-Y1565 AromaticContact CE1-CD2 3.78Å; F1509-Y1565 HydrophobicContact CE1-CD2 3.78Å; F1509-Y1565 HydrophobicContact CE1-CE2 4.07Å; F1509-Y1565 AromaticContact CE1-CG 3.97Å; F1509-Y1565 HydrophobicContact CE1-CG 3.97Å; E1513-Y1565 VanDerWaalsContact CD-CE1 3.47Å; E1513-Y1565 HydrophobicContact CG-CD1 3.67Å; E1513-Y1565 HydrophobicContact CG-CE1 3.56Å; E1513-Y1565 HydrophobicContact CG-CG 4.48Å; N1562-Y1565 HydrophobicContact CB-CD2 4.25Å; N1562-Y1565 WeakPolarHBondContact ND2-CE2 3.4Å; N1562-Y1565 PolarHBondContact O-N 3.12Å; I1563-Y1565 PolarHBondContact O-N 3.16Å; Y1565-N1568 PolarHBondContact O-N 3.31Å; Y1565-W1569 WeakPolarHBondContact O-CB 3.43Å; Y1565-W1569 PolarHBondContact O-N 2.81Å |
| 1566 | I | 67.2 | Low | 63.8 | Low | 6 Ų | 6 | 33 Ų | 33 | 3% | 0.031 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -60.5 | -46.7 | 173.6 | -46.4 | 172.9 | 0 | 0 | 0 | 110 | T1553 I1556 T1557 I1563 Y1564 N1568 W1569 L1570 L1604 | T1553-I1566 HydrophobicContact CG2-CG2 4.3Å; I1556-I1566 HydrophobicContact CB-CG1 4.17Å; I1556-I1566 HydrophobicContact CG2-CD1 3.96Å; I1556-I1566 HydrophobicContact CG2-CG1 3.53Å; T1557-I1566 HydrophobicContact CG2-CD1 4.07Å; T1557-I1566 HydrophobicContact CG2-CG2 3.6Å; I1563-I1566 PolarHBondContact O-N 3.37Å; Y1564-I1566 VanDerWaalsContact C-N 3.29Å; Y1564-I1566 PolarHBondContact O-N 3.46Å; I1566-N1568 PolarHBondContact O-N 3.07Å; I1566-W1569 PolarHBondContact O-N 3.02Å; I1566-L1570 HydrophobicContact CG2-CD1 4.05Å; I1566-L1570 HydrophobicContact CG2-CG 4.47Å; I1566-L1570 WeakPolarHBondContact O-CB 3.34Å; I1566-L1570 WeakPolarHBondContact O-CG 3.37Å; I1566-L1570 PolarHBondContact O-N 3.21Å; I1566-L1604 HydrophobicContact CB-CD1 3.8Å; I1566-L1604 HydrophobicContact CG2-CD1 3.67Å |
| 1567 | K | 71 | Confident | 64.1 | Low | 88 Ų | 88 | 33.6 Ų | 33.6 | 38% | 0.383 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -63.4 | -39.4 | 177.9 | -157.4 | 164.3 | -171.5 | 165.9 | 0 | 111.8 | I1563 Y1564 N1571 L1604 | I1563-K1567 WeakPolarHBondContact O-CB 3.45Å; I1563-K1567 PolarHBondContact O-N 2.92Å; Y1564-K1567 CarbonylContact O-C 3.55Å; Y1564-K1567 WeakPolarHBondContact O-CB 3.43Å; Y1564-K1567 PolarHBondContact O-N 2.92Å; Y1564-K1567 VanDerWaalsContact O-N 3.1Å; K1567-N1571 VanDerWaalsContact O-CB 3.24Å; K1567-N1571 WeakPolarHBondContact O-CB 3.42Å; K1567-N1571 PolarHBondContact O-N 3.35Å; K1567-N1571 PolarHBondContact O-ND2 3.28Å; K1567-L1604 HydrophobicContact CB-CD1 3.94Å; K1567-L1604 HydrophobicContact CG-CD1 4.43Å |
| 1568 | N | 69.5 | Low | 64.6 | Low | 17 Ų | 17 | 39.5 Ų | 39.5 | 9% | 0.091 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -66.7 | -47.8 | 176.6 | -170 | 14.2 | 0 | 0 | 0 | 111.5 | Y1564 Y1565 I1566 N1571 N1572 | Y1564-N1568 HydrophobicContact CE1-CB 4.32Å; Y1564-N1568 HydrophobicContact CE2-CB 4.48Å; Y1564-N1568 PolarHBondContact O-N 2.79Å; Y1565-N1568 PolarHBondContact O-N 3.31Å; I1566-N1568 PolarHBondContact O-N 3.07Å; N1568-N1571 PolarHBondContact O-N 3.09Å; N1568-N1572 PolarHBondContact O-N 3.32Å; N1568-N1572 PolarHBondContact O-ND2 3.26Å; N1568-N1572 PolarHBondContact OD1-ND2 3.27Å |
| 1569 | W | 71.8 | Confident | 65 | Low | 1 Ų | 1 | 40.1 Ų | 40.1 | 0% | 0.004 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -69.6 | -36.3 | 179.1 | -67.6 | -10.3 | 0 | 0 | 0 | 113 | F1509 E1513 L1516 T1517 F1552 T1553 I1556 Y1565 I1566 N1572 A1573 | F1509-W1569 AromaticContact CE2-CH2 3.79Å; F1509-W1569 HydrophobicContact CE2-CH2 3.79Å; F1509-W1569 HydrophobicContact CE2-CZ3 4.49Å; F1509-W1569 AromaticContact CZ-CH2 3.72Å; F1509-W1569 HydrophobicContact CZ-CH2 3.72Å; F1509-W1569 HydrophobicContact CZ-CZ2 4.15Å; F1509-W1569 HydrophobicContact CZ-CZ3 4.38Å; E1513-W1569 HydrophobicContact CG-CZ2 4.2Å; L1516-W1569 HydrophobicContact CB-CH2 4.32Å; L1516-W1569 HydrophobicContact CB-CZ2 4.12Å; L1516-W1569 HydrophobicContact CD1-CH2 4.24Å; T1517-W1569 PolarHBondContact OG1-NE1 3.1Å; F1552-W1569 HydrophobicContact CB-CE3 3.6Å; F1552-W1569 HydrophobicContact CB-CZ3 3.6Å; F1552-W1569 HydrophobicContact CD2-CE3 4.48Å; F1552-W1569 HydrophobicContact CD2-CH2 4.5Å; F1552-W1569 HydrophobicContact CD2-CZ3 4.3Å; F1552-W1569 HydrophobicContact CG-CZ3 4.36Å; T1553-W1569 HydrophobicContact CG2-CB 3.4Å; T1553-W1569 HydrophobicContact CG2-CE3 4.47Å; I1556-W1569 HydrophobicContact CD1-CE3 4.08Å; I1556-W1569 HydrophobicContact CD1-CH2 3.73Å; I1556-W1569 HydrophobicContact CD1-CZ3 3.24Å; I1556-W1569 HydrophobicContact CG1-CZ3 4.08Å; Y1565-W1569 WeakPolarHBondContact O-CB 3.43Å; Y1565-W1569 PolarHBondContact O-N 2.81Å; I1566-W1569 PolarHBondContact O-N 3.02Å; W1569-N1572 PolarHBondContact O-N 3.19Å; W1569-A1573 PolarHBondContact O-N 3.01Å |
| 1570 | L | 71.1 | Confident | 65.7 | Low | 4 Ų | 4 | 39.6 Ų | 39.6 | 2% | 0.021 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -63.4 | -42.7 | 169.5 | -78.2 | 173.5 | 0 | 0 | 0 | 111.3 | T1553 I1566 N1572 A1573 I1574 F1597 L1600 L1604 | T1553-L1570 HydrophobicContact CG2-CD2 4.15Å; T1553-L1570 HydrophobicContact CG2-CG 3.78Å; I1566-L1570 HydrophobicContact CG2-CD1 4.05Å; I1566-L1570 HydrophobicContact CG2-CG 4.47Å; I1566-L1570 WeakPolarHBondContact O-CB 3.34Å; I1566-L1570 WeakPolarHBondContact O-CG 3.37Å; I1566-L1570 PolarHBondContact O-N 3.21Å; L1570-N1572 VanDerWaalsContact C-N 3.3Å; L1570-N1572 PolarHBondContact O-N 2.9Å; L1570-A1573 WeakPolarHBondContact O-CB 3.37Å; L1570-A1573 PolarHBondContact O-N 2.97Å; L1570-A1573 VanDerWaalsContact O-N 3.13Å; L1570-I1574 VanDerWaalsContact O-CG1 3.27Å; L1570-I1574 WeakPolarHBondContact O-CG1 3.2Å; L1570-I1574 PolarHBondContact O-N 3.12Å; L1570-F1597 HydrophobicContact CD2-CD2 3.84Å; L1570-F1597 HydrophobicContact CD2-CE2 3.97Å; L1570-L1600 HydrophobicContact CD2-CB 4.21Å; L1570-L1604 HydrophobicContact CD1-CB 4.38Å; L1570-L1604 HydrophobicContact CD1-CD1 4.05Å |
| 1571 | N | 71.9 | Confident | 65.9 | Low | 88 Ų | 88 | 41.5 Ų | 41.5 | 47% | 0.471 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -61.4 | -38.2 | 174.3 | -74.5 | -19 | 0 | 0 | 0 | 112.3 | K1567 N1568 Y1575 | K1567-N1571 VanDerWaalsContact O-CB 3.24Å; K1567-N1571 WeakPolarHBondContact O-CB 3.42Å; K1567-N1571 PolarHBondContact O-N 3.35Å; K1567-N1571 PolarHBondContact O-ND2 3.28Å; N1568-N1571 PolarHBondContact O-N 3.09Å; N1571-Y1575 VanDerWaalsContact O-CB 3.29Å; N1571-Y1575 WeakPolarHBondContact O-CB 3.35Å; N1571-Y1575 PolarHBondContact O-N 2.85Å |
| 1572 | N | 67.4 | Low | 65.8 | Low | 17 Ų | 17 | 48.2 Ų | 48.2 | 9% | 0.091 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -68.4 | -36 | 173.5 | -73.3 | -60.7 | 0 | 0 | 0 | 112.2 | K1521 L1549 N1568 W1569 L1570 Y1575 C1576 | K1521-N1572 WeakPolarHBondContact CE-OD1 3.38Å; K1521-N1572 PolarHBondContact NZ-OD1 3.19Å; L1549-N1572 HydrophobicContact CD1-CB 4.45Å; N1568-N1572 PolarHBondContact O-N 3.32Å; N1568-N1572 PolarHBondContact O-ND2 3.26Å; N1568-N1572 PolarHBondContact OD1-ND2 3.27Å; W1569-N1572 PolarHBondContact O-N 3.19Å; L1570-N1572 VanDerWaalsContact C-N 3.3Å; L1570-N1572 PolarHBondContact O-N 2.9Å; N1572-Y1575 PolarHBondContact O-N 3.01Å; N1572-C1576 WeakPolarHBondContact O-CB 3.47Å; N1572-C1576 PolarHBondContact O-N 3.41Å; N1572-C1576 PolarHBondContact O-SG 3.32Å |
| 1573 | A | 67.7 | Low | 65.5 | Low | 2 Ų | 2 | 51.7 Ų | 51.7 | 2% | 0.017 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -63.8 | -47.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | L1549 W1569 L1570 Y1575 C1576 Q1577 | L1549-A1573 HydrophobicContact CB-CB 3.93Å; W1569-A1573 PolarHBondContact O-N 3.01Å; L1570-A1573 WeakPolarHBondContact O-CB 3.37Å; L1570-A1573 PolarHBondContact O-N 2.97Å; L1570-A1573 VanDerWaalsContact O-N 3.13Å; A1573-Y1575 VanDerWaalsContact C-N 3.3Å; A1573-Y1575 PolarHBondContact O-N 3.35Å; A1573-C1576 PolarHBondContact O-N 3.37Å; A1573-Q1577 VanDerWaalsContact O-CB 3.31Å; A1573-Q1577 WeakPolarHBondContact O-CB 2.85Å; A1573-Q1577 PolarHBondContact O-N 3.16Å |
| 1574 | I | 69.5 | Low | 64.8 | Low | 37 Ų | 37 | 50.8 Ų | 50.8 | 19% | 0.19 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -57.2 | -44.5 | 174 | -64.4 | 162.7 | 0 | 0 | 0 | 110.5 | L1570 Q1577 K1578 F1597 | L1570-I1574 VanDerWaalsContact O-CG1 3.27Å; L1570-I1574 WeakPolarHBondContact O-CG1 3.2Å; L1570-I1574 PolarHBondContact O-N 3.12Å; I1574-Q1577 PolarHBondContact O-N 3.44Å; I1574-K1578 HydrophobicContact CG2-CD 4Å; I1574-K1578 HydrophobicContact CG2-CG 4.36Å; I1574-K1578 VanDerWaalsContact O-CB 3.3Å; I1574-K1578 WeakPolarHBondContact O-CB 3.41Å; I1574-K1578 VanDerWaalsContact O-CG 3.29Å; I1574-K1578 WeakPolarHBondContact O-CG 3.39Å; I1574-K1578 PolarHBondContact O-N 3.46Å; I1574-F1597 HydrophobicContact CD1-CE2 3.7Å; I1574-F1597 HydrophobicContact CD1-CZ 3.54Å; I1574-F1597 HydrophobicContact CG1-CD2 4.38Å; I1574-F1597 HydrophobicContact CG1-CE1 4.43Å; I1574-F1597 HydrophobicContact CG1-CE2 3.38Å; I1574-F1597 HydrophobicContact CG1-CZ 3.42Å; I1574-F1597 VanDerWaalsContact CG1-CZ 3.42Å |
| 1575 | Y | 68 | Low | 64 | Low | 118 Ų | 118 | 54.5 Ų | 54.5 | 46% | 0.463 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -65.6 | -43.2 | -180 | -179.3 | -109.6 | 0 | 0 | 0 | 112 | Q1524 N1571 N1572 A1573 K1578 L1579 | Q1524-Y1575 VanDerWaalsContact NE2-CD1 3.32Å; Q1524-Y1575 VanDerWaalsContact NE2-CE1 3.32Å; N1571-Y1575 VanDerWaalsContact O-CB 3.29Å; N1571-Y1575 WeakPolarHBondContact O-CB 3.35Å; N1571-Y1575 PolarHBondContact O-N 2.85Å; N1572-Y1575 PolarHBondContact O-N 3.01Å; A1573-Y1575 VanDerWaalsContact C-N 3.3Å; A1573-Y1575 PolarHBondContact O-N 3.35Å; Y1575-K1578 PolarHBondContact O-N 2.86Å; Y1575-L1579 HydrophobicContact CD1-CD1 3.9Å; Y1575-L1579 HydrophobicContact CE1-CD1 3.52Å; Y1575-L1579 HydrophobicContact CE2-CD1 4.26Å; Y1575-L1579 HydrophobicContact CG-CD1 4.41Å; Y1575-L1579 VanDerWaalsContact O-CG 3.29Å; Y1575-L1579 WeakPolarHBondContact O-CG 3.47Å; Y1575-L1579 PolarHBondContact O-N 3.37Å; Y1575-L1579 VanDerWaalsContact O-N 3.07Å |
| 1576 | C | 65.8 | Low | 63.3 | Low | 1 Ų | 1 | 61.7 Ų | 61.7 | 1% | 0.007 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -62.3 | -49.9 | 172.4 | -66.7 | 0 | 0 | 0 | 0 | 111.4 | I1546 N1572 A1573 K1578 L1579 F1580 | I1546-C1576 HydrophobicContact CG1-CB 4.28Å; N1572-C1576 WeakPolarHBondContact O-CB 3.47Å; N1572-C1576 PolarHBondContact O-N 3.41Å; N1572-C1576 PolarHBondContact O-SG 3.32Å; A1573-C1576 PolarHBondContact O-N 3.37Å; C1576-K1578 VanDerWaalsContact C-N 3.3Å; C1576-K1578 PolarHBondContact O-N 3.08Å; C1576-L1579 WeakPolarHBondContact O-CB 3.2Å; C1576-L1579 PolarHBondContact O-N 3.04Å; C1576-F1580 HydrophobicContact CB-CD2 4.23Å; C1576-F1580 HydrophobicContact CB-CE2 3.9Å; C1576-F1580 WeakPolarHBondContact O-CD2 3.15Å; C1576-F1580 WeakPolarHBondContact O-CG 3.44Å; C1576-F1580 PolarHBondContact O-N 3.41Å; C1576-F1580 VanDerWaalsContact O-N 3.1Å |
| 1577 | Q | 67.8 | Low | 63 | Low | 21 Ų | 21 | 64.8 Ų | 64.8 | 10% | 0.098 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -57.1 | -44 | 179 | -167 | -174.7 | 13.1 | 0 | 0 | 111.3 | I1546 A1573 I1574 L1579 F1580 I1581 Y1590 N1594 | I1546-Q1577 HydrophobicContact CD1-CB 4.42Å; A1573-Q1577 VanDerWaalsContact O-CB 3.31Å; A1573-Q1577 WeakPolarHBondContact O-CB 2.85Å; A1573-Q1577 PolarHBondContact O-N 3.16Å; I1574-Q1577 PolarHBondContact O-N 3.44Å; Q1577-L1579 VanDerWaalsContact C-N 3.34Å; Q1577-L1579 PolarHBondContact O-N 2.94Å; Q1577-F1580 PolarHBondContact O-N 3.02Å; Q1577-I1581 WeakPolarHBondContact O-CG1 3.48Å; Q1577-I1581 PolarHBondContact O-N 2.95Å; Q1577-Y1590 HydrophobicContact CG-CE2 4.21Å; Q1577-N1594 VanDerWaalsContact NE2-CG 3.35Å; Q1577-N1594 PolarHBondContact NE2-ND2 3.03Å; Q1577-N1594 PolarHBondContact NE2-OD1 3.18Å |
| 1578 | K | 69.7 | Low | 62.5 | Low | 150 Ų | 150 | 61.9 Ų | 61.9 | 65% | 0.652 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -63.8 | -32.2 | 175.4 | -77.1 | -176.2 | 178.2 | -171.8 | 0 | 113.9 | I1574 Y1575 C1576 I1581 | I1574-K1578 HydrophobicContact CG2-CD 4Å; I1574-K1578 HydrophobicContact CG2-CG 4.36Å; I1574-K1578 VanDerWaalsContact O-CB 3.3Å; I1574-K1578 WeakPolarHBondContact O-CB 3.41Å; I1574-K1578 VanDerWaalsContact O-CG 3.29Å; I1574-K1578 WeakPolarHBondContact O-CG 3.39Å; I1574-K1578 PolarHBondContact O-N 3.46Å; Y1575-K1578 PolarHBondContact O-N 2.86Å; C1576-K1578 VanDerWaalsContact C-N 3.3Å; C1576-K1578 PolarHBondContact O-N 3.08Å; K1578-I1581 HydrophobicContact CG-CD1 4.48Å |
| 1579 | L | 62.3 | Low | 62.2 | Low | 76 Ų | 76 | 63.3 Ų | 63.3 | 40% | 0.398 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -74.1 | -27.3 | 175.2 | -74.3 | 166.8 | 0 | 0 | 0 | 113.1 | L1528 Y1575 C1576 Q1577 | L1528-L1579 HydrophobicContact CD2-CD1 4.39Å; Y1575-L1579 HydrophobicContact CD1-CD1 3.9Å; Y1575-L1579 HydrophobicContact CE1-CD1 3.52Å; Y1575-L1579 HydrophobicContact CE2-CD1 4.26Å; Y1575-L1579 HydrophobicContact CG-CD1 4.41Å; Y1575-L1579 VanDerWaalsContact O-CG 3.29Å; Y1575-L1579 WeakPolarHBondContact O-CG 3.47Å; Y1575-L1579 PolarHBondContact O-N 3.37Å; Y1575-L1579 VanDerWaalsContact O-N 3.07Å; C1576-L1579 WeakPolarHBondContact O-CB 3.2Å; C1576-L1579 PolarHBondContact O-N 3.04Å; Q1577-L1579 VanDerWaalsContact C-N 3.34Å; Q1577-L1579 PolarHBondContact O-N 2.94Å |
| 1580 | F | 63.3 | Low | 62 | Low | 21 Ų | 21 | 65.4 Ų | 65.4 | 9% | 0.092 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -104.9 | 6.2 | -172.8 | -54.4 | -47.8 | 0 | 0 | 0 | 114.7 | E1542 I1546 C1576 Q1577 N1582 | E1542-F1580 HydrophobicContact CB-CD2 4.06Å; E1542-F1580 HydrophobicContact CB-CE2 4.2Å; E1542-F1580 HydrophobicContact CB-CG 4.25Å; E1542-F1580 HydrophobicContact CB-CZ 4.49Å; E1542-F1580 HydrophobicContact CG-CD1 3.93Å; E1542-F1580 HydrophobicContact CG-CD2 4.18Å; E1542-F1580 HydrophobicContact CG-CE1 3.76Å; E1542-F1580 HydrophobicContact CG-CE2 4.03Å; E1542-F1580 HydrophobicContact CG-CG 4.16Å; E1542-F1580 HydrophobicContact CG-CZ 3.82Å; E1542-F1580 VanDerWaalsContact OE1-CD1 3.27Å; E1542-F1580 WeakPolarHBondContact OE1-CD1 3.2Å; E1542-F1580 WeakPolarHBondContact OE1-CE1 3.5Å; I1546-F1580 HydrophobicContact CD1-CD2 4.18Å; C1576-F1580 HydrophobicContact CB-CD2 4.23Å; C1576-F1580 HydrophobicContact CB-CE2 3.9Å; C1576-F1580 WeakPolarHBondContact O-CD2 3.15Å; C1576-F1580 WeakPolarHBondContact O-CG 3.44Å; C1576-F1580 PolarHBondContact O-N 3.41Å; C1576-F1580 VanDerWaalsContact O-N 3.1Å; Q1577-F1580 PolarHBondContact O-N 3.02Å; F1580-N1582 VanDerWaalsContact C-N 3.28Å; F1580-N1582 PolarHBondContact O-N 2.93Å; F1580-N1582 VanDerWaalsContact O-N 3.15Å |
| 1581 | I | 57 | Low | 61.9 | Low | 64 Ų | 64 | 67.6 Ų | 67.6 | 33% | 0.328 | 34% | 0.336 | S | S | . | . | G | 310 helix | trans | -52.8 | -38.8 | -175.3 | -64.5 | -172.5 | 0 | 0 | 0 | 113.8 | Q1577 K1578 N1583 Y1584 | Q1577-I1581 WeakPolarHBondContact O-CG1 3.48Å; Q1577-I1581 PolarHBondContact O-N 2.95Å; K1578-I1581 HydrophobicContact CG-CD1 4.48Å; I1581-N1583 PolarHBondContact O-N 3.44Å; I1581-Y1584 PolarHBondContact O-N 3.15Å |
| 1582 | N | 49.7 | Very low | 61.8 | Low | 157 Ų | 157 | 66 Ų | 66 | 84% | 0.84 | 32% | 0.324 | S | S | * | . | G | 310 helix | trans | -63.1 | -6.1 | -163 | -70.6 | -4.2 | 0 | 0 | 0 | 116.4 | F1580 | F1580-N1582 VanDerWaalsContact C-N 3.28Å; F1580-N1582 PolarHBondContact O-N 2.93Å; F1580-N1582 VanDerWaalsContact O-N 3.15Å |
| 1583 | N | 49.8 | Very low | 61.9 | Low | 105 Ų | 105 | 65.7 Ų | 65.7 | 56% | 0.561 | 32% | 0.322 | S | S | * | . | G | 310 helix | trans | -112.8 | -5.6 | -175.2 | -75.3 | -7 | 0 | 0 | 0 | 115.5 | N1539 I1581 | N1539-N1583 PolarHBondContact OD1-ND2 2.89Å; N1539-N1583 VanDerWaalsContact OD1-ND2 3.12Å; I1581-N1583 PolarHBondContact O-N 3.44Å |
| 1584 | Y | 49.1 | Very low | 62.2 | Low | 28 Ų | 28 | 67.4 Ų | 67.4 | 11% | 0.11 | 33% | 0.33 | C | S | . | . | trans | -131.1 | 9.3 | -153.6 | -79.9 | -70.5 | 0 | 0 | 0 | 119.8 | N1539 N1543 I1581 N1586 N1587 | N1539-Y1584 WeakPolarHBondContact CA-OH 3.42Å; N1539-Y1584 WeakPolarHBondContact CB-OH 3.48Å; N1539-Y1584 VanDerWaalsContact CG-OH 3.27Å; N1539-Y1584 PolarHBondContact O-OH 3.05Å; N1539-Y1584 VanDerWaalsContact O-OH 3.04Å; N1543-Y1584 VanDerWaalsContact ND2-CZ 3.32Å; N1543-Y1584 PolarHBondContact ND2-OH 3.43Å; I1581-Y1584 PolarHBondContact O-N 3.15Å; Y1584-N1586 PolarHBondContact O-N 3.39Å; Y1584-N1587 HydrophobicContact CD1-CB 3.94Å; Y1584-N1587 PolarHBondContact O-N 2.99Å | ||
| 1585 | L | 48.8 | Very low | 62.4 | Low | 126 Ų | 126 | 66 Ų | 66 | 66% | 0.66 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | -22.4 | -173.2 | -77.2 | 167.8 | 0 | 0 | 0 | 116.7 | ||
| 1586 | N | 50.2 | Low | 62.6 | Low | 168 Ų | 168 | 61.4 Ų | 61.4 | 90% | 0.898 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.3 | 17.7 | -176.8 | -67.4 | 13.8 | 0 | 0 | 0 | 113.8 | Y1584 | Y1584-N1586 PolarHBondContact O-N 3.39Š|
| 1587 | N | 61.7 | Low | 63.1 | Low | 72 Ų | 72 | 62.5 Ų | 62.5 | 39% | 0.385 | 31% | 0.31 | S | S | . | . | trans | -115.8 | 123 | -166.6 | -150.7 | -27.9 | 0 | 0 | 0 | 113 | Y1584 N1589 Y1590 | Y1584-N1587 HydrophobicContact CD1-CB 3.94Å; Y1584-N1587 PolarHBondContact O-N 2.99Å; N1587-N1589 PolarHBondContact O-N 3.48Å; N1587-N1589 VanDerWaalsContact O-N 3.12Å; N1587-Y1590 VanDerWaalsContact O-CB 3.31Å; N1587-Y1590 WeakPolarHBondContact O-CB 3.38Å; N1587-Y1590 PolarHBondContact O-N 3.33Å | ||
| 1588 | L | 61.4 | Low | 63.6 | Low | 27 Ų | 27 | 63.1 Ų | 63.1 | 14% | 0.141 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -59.8 | -31.6 | -169.2 | -151.5 | 146.9 | 0 | 0 | 0 | 113.1 | Y1590 H1591 W1592 T1632 L1639 Y1642 | L1588-Y1590 VanDerWaalsContact C-N 3.29Å; L1588-Y1590 PolarHBondContact O-N 3.29Å; L1588-H1591 PolarHBondContact O-N 3.29Å; L1588-W1592 PolarHBondContact O-N 3.24Å; L1588-T1632 HydrophobicContact CD1-CG2 3.8Å; L1588-L1639 HydrophobicContact CD1-CD1 3.52Å; L1588-L1639 HydrophobicContact CD1-CG 4.48Å; L1588-L1639 HydrophobicContact CD2-CD1 4.31Å; L1588-Y1642 HydrophobicContact CD2-CD1 4.09Å; L1588-Y1642 HydrophobicContact CD2-CG 4.35Å |
| 1589 | N | 63.3 | Low | 63.9 | Low | 46 Ų | 46 | 57.1 Ų | 57.1 | 25% | 0.246 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -61.5 | -31.4 | 174 | -74.4 | -26.3 | 0 | 0 | 0 | 113.6 | N1587 W1592 Q1593 | N1587-N1589 PolarHBondContact O-N 3.48Å; N1587-N1589 VanDerWaalsContact O-N 3.12Å; N1589-W1592 PolarHBondContact O-N 3.42Å; N1589-Q1593 VanDerWaalsContact O-CG 3.31Å; N1589-Q1593 WeakPolarHBondContact O-CG 3.46Å; N1589-Q1593 PolarHBondContact O-N 2.89Å |
| 1590 | Y | 67.2 | Low | 64.3 | Low | 45 Ų | 45 | 53.5 Ų | 53.5 | 18% | 0.176 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -69 | -39.2 | 175.7 | 177.3 | -106.4 | 0 | 0 | 0 | 111.3 | Q1577 N1587 L1588 N1594 | Q1577-Y1590 HydrophobicContact CG-CE2 4.21Å; N1587-Y1590 VanDerWaalsContact O-CB 3.31Å; N1587-Y1590 WeakPolarHBondContact O-CB 3.38Å; N1587-Y1590 PolarHBondContact O-N 3.33Å; L1588-Y1590 VanDerWaalsContact C-N 3.29Å; L1588-Y1590 PolarHBondContact O-N 3.29Å; Y1590-N1594 WeakPolarHBondContact CD1-ND2 3.5Å; Y1590-N1594 WeakPolarHBondContact CE1-ND2 3.24Å; Y1590-N1594 VanDerWaalsContact CZ-ND2 3.27Å; Y1590-N1594 WeakPolarHBondContact O-CB 3.41Å; Y1590-N1594 PolarHBondContact O-N 3.43Å; Y1590-N1594 PolarHBondContact O-ND2 2.66Å |
| 1591 | H | 69.2 | Low | 65 | Low | 51 Ų | 51 | 54.5 Ų | 54.5 | 24% | 0.236 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -67.9 | -35.8 | 174.4 | -65.1 | -86.9 | 0 | 0 | 0 | 111.9 | L1588 N1594 L1595 Y1642 | L1588-H1591 PolarHBondContact O-N 3.29Å; H1591-N1594 PolarHBondContact O-N 2.96Å; H1591-L1595 WeakPolarHBondContact O-CB 3.27Å; H1591-L1595 PolarHBondContact O-N 3.05Å; H1591-Y1642 HydrophobicContact CB-CE2 4.18Å; H1591-Y1642 WeakPolarHBondContact O-CE2 3.3Å |
| 1592 | W | 69.5 | Low | 66 | Low | 54 Ų | 54 | 51.4 Ų | 51.4 | 21% | 0.205 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -66.8 | -45.4 | 174 | 179.7 | 45.2 | 0 | 0 | 0 | 113.4 | F1547 L1588 N1589 N1594 L1595 K1596 G1641 Y1642 C1645 | F1547-W1592 HydrophobicContact CD2-CH2 4.32Å; F1547-W1592 HydrophobicContact CD2-CZ3 4.32Å; F1547-W1592 AromaticContact CE2-CH2 3.66Å; F1547-W1592 HydrophobicContact CE2-CH2 3.66Å; F1547-W1592 HydrophobicContact CE2-CZ2 4.36Å; F1547-W1592 HydrophobicContact CE2-CZ3 4.1Å; L1588-W1592 PolarHBondContact O-N 3.24Å; N1589-W1592 PolarHBondContact O-N 3.42Å; W1592-N1594 VanDerWaalsContact C-N 3.33Å; W1592-N1594 PolarHBondContact O-N 2.74Å; W1592-L1595 PolarHBondContact O-N 3.48Å; W1592-K1596 PolarHBondContact O-N 3.34Å; W1592-G1641 PolarHBondContact NE1-O 3.38Å; W1592-Y1642 HydrophobicContact CB-CD2 3.86Å; W1592-Y1642 HydrophobicContact CB-CG 4.4Å; W1592-Y1642 HydrophobicContact CG-CD2 4.35Å; W1592-C1645 PolarHBondContact NE1-SG 3.49Å |
| 1593 | Q | 68.6 | Low | 67.2 | Low | 11 Ų | 11 | 46.2 Ų | 46.2 | 5% | 0.051 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -59.7 | -43.7 | 173.9 | -73.1 | 168.3 | 12.4 | 0 | 0 | 111.3 | N1543 I1546 I1550 N1589 K1596 F1597 | N1543-Q1593 PolarHBondContact OD1-NE2 2.99Å; I1546-Q1593 HydrophobicContact CG2-CB 4.49Å; I1546-Q1593 HydrophobicContact CG2-CG 4.28Å; I1550-Q1593 HydrophobicContact CD1-CB 4.09Å; I1550-Q1593 HydrophobicContact CD1-CG 4.39Å; N1589-Q1593 VanDerWaalsContact O-CG 3.31Å; N1589-Q1593 WeakPolarHBondContact O-CG 3.46Å; N1589-Q1593 PolarHBondContact O-N 2.89Å; Q1593-K1596 PolarHBondContact O-N 3.15Å; Q1593-F1597 VanDerWaalsContact O-CB 3.32Å; Q1593-F1597 WeakPolarHBondContact O-CB 3.43Å; Q1593-F1597 PolarHBondContact O-N 3.13Å |
| 1594 | N | 73.8 | Confident | 68.2 | Low | 37 Ų | 37 | 41.6 Ų | 41.6 | 20% | 0.198 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60.7 | -46.1 | 174.6 | -84.2 | -61.7 | 0 | 0 | 0 | 112.7 | Q1577 Y1590 H1591 W1592 K1596 F1597 I1598 | Q1577-N1594 VanDerWaalsContact NE2-CG 3.35Å; Q1577-N1594 PolarHBondContact NE2-ND2 3.03Å; Q1577-N1594 PolarHBondContact NE2-OD1 3.18Å; Y1590-N1594 WeakPolarHBondContact CD1-ND2 3.5Å; Y1590-N1594 WeakPolarHBondContact CE1-ND2 3.24Å; Y1590-N1594 VanDerWaalsContact CZ-ND2 3.27Å; Y1590-N1594 WeakPolarHBondContact O-CB 3.41Å; Y1590-N1594 PolarHBondContact O-N 3.43Å; Y1590-N1594 PolarHBondContact O-ND2 2.66Å; H1591-N1594 PolarHBondContact O-N 2.96Å; W1592-N1594 VanDerWaalsContact C-N 3.33Å; W1592-N1594 PolarHBondContact O-N 2.74Å; N1594-K1596 PolarHBondContact O-N 2.91Å; N1594-F1597 PolarHBondContact O-N 2.96Å; N1594-I1598 VanDerWaalsContact O-CG1 3.31Å; N1594-I1598 WeakPolarHBondContact O-CG1 3.48Å; N1594-I1598 PolarHBondContact O-N 2.92Å |
| 1595 | L | 74.5 | Confident | 69.5 | Low | 7 Ų | 7 | 41 Ų | 41 | 4% | 0.037 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63.8 | -41.3 | 179.3 | -179.1 | 62.2 | 0 | 0 | 0 | 111.9 | H1591 W1592 K1599 L1622 V1625 Y1642 C1645 | H1591-L1595 WeakPolarHBondContact O-CB 3.27Å; H1591-L1595 PolarHBondContact O-N 3.05Å; W1592-L1595 PolarHBondContact O-N 3.48Å; L1595-K1599 WeakPolarHBondContact O-CB 3.47Å; L1595-K1599 PolarHBondContact O-N 3.47Å; L1595-L1622 HydrophobicContact CD1-CD2 4.01Å; L1595-V1625 HydrophobicContact CD1-CG2 3.86Å; L1595-V1625 HydrophobicContact CD2-CG2 3.85Å; L1595-V1625 HydrophobicContact CG-CG2 4.37Å; L1595-Y1642 HydrophobicContact CB-CD2 4.42Å; L1595-Y1642 HydrophobicContact CB-CE2 3.92Å; L1595-Y1642 HydrophobicContact CD2-CD2 3.82Å; L1595-Y1642 HydrophobicContact CD2-CE2 3.64Å; L1595-Y1642 HydrophobicContact CG-CE2 4.43Å; L1595-C1645 HydrophobicContact CD2-CB 4.18Å |
| 1596 | K | 72.6 | Confident | 70.7 | Confident | 23 Ų | 23 | 36.1 Ų | 36.1 | 10% | 0.1 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -60.7 | -47.2 | 171.1 | -83.6 | -156.5 | 169.7 | -152.4 | 0 | 111.7 | I1550 E1554 W1592 Q1593 N1594 I1598 K1599 L1600 | I1550-K1596 HydrophobicContact CG2-CB 3.86Å; I1550-K1596 HydrophobicContact CG2-CD 3.88Å; E1554-K1596 IonicContact OE2-NZ 3.11Å; E1554-K1596 PolarHBondContact OE2-NZ 2.9Å; W1592-K1596 PolarHBondContact O-N 3.34Å; Q1593-K1596 PolarHBondContact O-N 3.15Å; N1594-K1596 PolarHBondContact O-N 2.91Å; K1596-I1598 PolarHBondContact O-N 3.28Å; K1596-K1599 WeakPolarHBondContact O-CB 3.23Å; K1596-K1599 PolarHBondContact O-N 3.33Å; K1596-L1600 VanDerWaalsContact O-CG 3.29Å; K1596-L1600 WeakPolarHBondContact O-CG 3.42Å; K1596-L1600 PolarHBondContact O-N 2.86Å |
| 1597 | F | 75.5 | Confident | 71.4 | Confident | 24 Ų | 24 | 31.9 Ų | 31.9 | 11% | 0.105 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -59 | -46.8 | 178.7 | 168.4 | -100 | 0 | 0 | 0 | 112.3 | L1570 I1574 Q1593 N1594 K1599 L1600 Q1601 | L1570-F1597 HydrophobicContact CD2-CD2 3.84Å; L1570-F1597 HydrophobicContact CD2-CE2 3.97Å; I1574-F1597 HydrophobicContact CD1-CE2 3.7Å; I1574-F1597 HydrophobicContact CD1-CZ 3.54Å; I1574-F1597 HydrophobicContact CG1-CD2 4.38Å; I1574-F1597 HydrophobicContact CG1-CE1 4.43Å; I1574-F1597 HydrophobicContact CG1-CE2 3.38Å; I1574-F1597 HydrophobicContact CG1-CZ 3.42Å; I1574-F1597 VanDerWaalsContact CG1-CZ 3.42Å; Q1593-F1597 VanDerWaalsContact O-CB 3.32Å; Q1593-F1597 WeakPolarHBondContact O-CB 3.43Å; Q1593-F1597 PolarHBondContact O-N 3.13Å; N1594-F1597 PolarHBondContact O-N 2.96Å; F1597-K1599 PolarHBondContact O-N 2.87Å; F1597-L1600 PolarHBondContact O-N 3.37Å; F1597-Q1601 HydrophobicContact CZ-CB 4.49Å; F1597-Q1601 PolarHBondContact O-N 2.89Å |
| 1598 | I | 77.6 | Confident | 71.7 | Confident | 34 Ų | 34 | 32 Ų | 32 | 17% | 0.174 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -62.6 | -44.2 | 178.1 | -67.2 | 166.3 | 0 | 0 | 0 | 111.1 | N1594 K1596 L1600 Q1601 S1602 R1617 | N1594-I1598 VanDerWaalsContact O-CG1 3.31Å; N1594-I1598 WeakPolarHBondContact O-CG1 3.48Å; N1594-I1598 PolarHBondContact O-N 2.92Å; K1596-I1598 PolarHBondContact O-N 3.28Å; I1598-L1600 PolarHBondContact O-N 3.49Å; I1598-Q1601 PolarHBondContact O-N 3.41Å; I1598-S1602 PolarHBondContact O-N 2.66Å; I1598-S1602 PolarHBondContact O-OG 2.68Å; I1598-R1617 HydrophobicContact CG2-CG 4.05Å; I1598-R1617 WeakPolarHBondContact CG2-O 3.18Å |
| 1599 | K | 76.2 | Confident | 72.2 | Confident | 23 Ų | 23 | 32.2 Ų | 32.2 | 10% | 0.1 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -52.1 | -55.3 | 172 | 172.9 | -166.3 | 170.6 | -165.9 | 0 | 110 | E1554 L1595 K1596 F1597 Q1601 S1602 Y1603 | E1554-K1599 IonicContact OE1-NZ 3.27Å; E1554-K1599 PolarHBondContact OE1-NZ 3.29Å; L1595-K1599 WeakPolarHBondContact O-CB 3.47Å; L1595-K1599 PolarHBondContact O-N 3.47Å; K1596-K1599 WeakPolarHBondContact O-CB 3.23Å; K1596-K1599 PolarHBondContact O-N 3.33Å; F1597-K1599 PolarHBondContact O-N 2.87Å; K1599-Q1601 PolarHBondContact O-N 3.43Å; K1599-S1602 PolarHBondContact O-N 3.02Å; K1599-S1602 PolarHBondContact O-OG 3.21Å; K1599-Y1603 HydrophobicContact CD-CE2 4.47Å; K1599-Y1603 HydrophobicContact CG-CD2 4.04Å; K1599-Y1603 HydrophobicContact CG-CE2 3.82Å; K1599-Y1603 VanDerWaalsContact O-CD2 3.3Å; K1599-Y1603 WeakPolarHBondContact O-CD2 3.49Å; K1599-Y1603 PolarHBondContact O-N 3.43Å; K1599-Y1603 VanDerWaalsContact O-N 3.09Å |
| 1600 | L | 72.3 | Confident | 73 | Confident | 1 Ų | 1 | 34.1 Ų | 34.1 | 1% | 0.005 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -65.1 | -37.9 | -176.2 | -64.6 | 177.7 | 0 | 0 | 0 | 113.7 | I1550 E1554 T1557 L1570 K1596 F1597 I1598 Y1603 L1604 | I1550-L1600 HydrophobicContact CG2-CD1 3.93Å; I1550-L1600 WeakPolarHBondContact O-CD1 3.28Å; E1554-L1600 HydrophobicContact CB-CD1 3.93Å; E1554-L1600 HydrophobicContact CB-CD2 3.77Å; E1554-L1600 HydrophobicContact CB-CG 4.44Å; E1554-L1600 HydrophobicContact CG-CD2 3.93Å; T1557-L1600 HydrophobicContact CG2-CD2 4.44Å; L1570-L1600 HydrophobicContact CD2-CB 4.21Å; K1596-L1600 VanDerWaalsContact O-CG 3.29Å; K1596-L1600 WeakPolarHBondContact O-CG 3.42Å; K1596-L1600 PolarHBondContact O-N 2.86Å; F1597-L1600 PolarHBondContact O-N 3.37Å; I1598-L1600 PolarHBondContact O-N 3.49Å; L1600-Y1603 PolarHBondContact O-N 2.92Å; L1600-L1604 PolarHBondContact O-N 3.41Å |
| 1601 | Q | 77 | Confident | 73.5 | Confident | 41 Ų | 41 | 36.4 Ų | 36.4 | 19% | 0.192 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -67.9 | -37.5 | 174.5 | -176.2 | 159.3 | 9.7 | 0 | 0 | 111.7 | F1597 I1598 K1599 Y1603 L1604 E1605 R1617 | F1597-Q1601 HydrophobicContact CZ-CB 4.49Å; F1597-Q1601 PolarHBondContact O-N 2.89Å; I1598-Q1601 PolarHBondContact O-N 3.41Å; K1599-Q1601 PolarHBondContact O-N 3.43Å; Q1601-Y1603 VanDerWaalsContact C-N 3.34Å; Q1601-Y1603 PolarHBondContact O-N 3.37Å; Q1601-L1604 PolarHBondContact O-N 2.81Å; Q1601-E1605 HydrophobicContact CG-CG 4.3Å; Q1601-E1605 WeakPolarHBondContact CG-OE1 3.31Å; Q1601-E1605 PolarHBondContact NE2-OE1 3.38Å; Q1601-E1605 WeakPolarHBondContact O-CB 3.15Å; Q1601-E1605 WeakPolarHBondContact O-CG 3.38Å; Q1601-E1605 PolarHBondContact O-N 3.21Å; Q1601-R1617 VanDerWaalsContact CD-NH1 3.3Å |
| 1602 | S | 78.2 | Confident | 74 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -63.7 | -38.2 | 175 | 72.9 | 0 | 0 | 0 | 0 | 112.5 | I1598 K1599 E1605 R1606 S1614 | I1598-S1602 PolarHBondContact O-N 2.66Å; I1598-S1602 PolarHBondContact O-OG 2.68Å; K1599-S1602 PolarHBondContact O-N 3.02Å; K1599-S1602 PolarHBondContact O-OG 3.21Å; S1602-E1605 PolarHBondContact O-N 3Å; S1602-R1606 PolarHBondContact O-N 2.88Å; S1602-S1614 WeakPolarHBondContact CB-O 3.46Å; S1602-S1614 WeakPolarHBondContact O-CB 3.26Å |
| 1603 | Y | 73.7 | Confident | 74.6 | Confident | 48 Ų | 48 | 40.9 Ų | 40.9 | 19% | 0.188 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -60 | -46.9 | 169.6 | -84.3 | -77.4 | 0 | 0 | 0 | 112.2 | K1599 L1600 Q1601 E1605 R1606 E1607 V1652 W1656 | K1599-Y1603 HydrophobicContact CD-CE2 4.47Å; K1599-Y1603 HydrophobicContact CG-CD2 4.04Å; K1599-Y1603 HydrophobicContact CG-CE2 3.82Å; K1599-Y1603 VanDerWaalsContact O-CD2 3.3Å; K1599-Y1603 WeakPolarHBondContact O-CD2 3.49Å; K1599-Y1603 PolarHBondContact O-N 3.43Å; K1599-Y1603 VanDerWaalsContact O-N 3.09Å; L1600-Y1603 PolarHBondContact O-N 2.92Å; Q1601-Y1603 VanDerWaalsContact C-N 3.34Å; Q1601-Y1603 PolarHBondContact O-N 3.37Å; Y1603-E1605 VanDerWaalsContact C-N 3.28Å; Y1603-E1605 PolarHBondContact O-N 3.11Å; Y1603-R1606 PolarHBondContact O-N 3.31Å; Y1603-E1607 PolarHBondContact O-N 3.23Å; Y1603-V1652 HydrophobicContact CE2-CG1 4.39Å; Y1603-V1652 VanDerWaalsContact OH-CG2 3.24Å; Y1603-V1652 WeakPolarHBondContact OH-CG2 3.33Å; Y1603-W1656 HydrophobicContact CD1-CH2 4.13Å; Y1603-W1656 AromaticContact CD1-CZ2 3.79Å; Y1603-W1656 HydrophobicContact CD1-CZ2 3.79Å; Y1603-W1656 HydrophobicContact CD2-CH2 4.41Å; Y1603-W1656 HydrophobicContact CE1-CH2 4.31Å; Y1603-W1656 AromaticContact CE1-CZ2 3.69Å; Y1603-W1656 HydrophobicContact CE1-CZ2 3.69Å; Y1603-W1656 HydrophobicContact CG-CH2 4.19Å; Y1603-W1656 HydrophobicContact CG-CZ2 4.31Å |
| 1604 | L | 70.9 | Confident | 75.2 | Confident | 8 Ų | 8 | 40.4 Ų | 40.4 | 4% | 0.042 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -65.3 | -29.4 | 179.8 | 174.1 | 135.7 | 0 | 0 | 0 | 113.1 | I1563 I1566 K1567 L1570 L1600 Q1601 Q1608 | I1563-L1604 HydrophobicContact CG2-CD1 4.24Å; I1563-L1604 HydrophobicContact CG2-CG 4.36Å; I1566-L1604 HydrophobicContact CB-CD1 3.8Å; I1566-L1604 HydrophobicContact CG2-CD1 3.67Å; K1567-L1604 HydrophobicContact CB-CD1 3.94Å; K1567-L1604 HydrophobicContact CG-CD1 4.43Å; L1570-L1604 HydrophobicContact CD1-CB 4.38Å; L1570-L1604 HydrophobicContact CD1-CD1 4.05Å; L1600-L1604 PolarHBondContact O-N 3.41Å; Q1601-L1604 PolarHBondContact O-N 2.81Å; L1604-Q1608 VanDerWaalsContact CG-NE2 3.33Å; L1604-Q1608 PolarHBondContact O-N 3.35Å; L1604-Q1608 PolarHBondContact O-NE2 2.82Å |
| 1605 | E | 77.3 | Confident | 75.7 | Confident | 14 Ų | 14 | 39.2 Ų | 39.2 | 7% | 0.065 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -75.5 | -38.7 | 174 | -74 | 166.7 | 177.6 | 0 | 0 | 111.2 | Q1601 S1602 Y1603 Q1608 G1609 D1610 L1613 R1617 | Q1601-E1605 HydrophobicContact CG-CG 4.3Å; Q1601-E1605 WeakPolarHBondContact CG-OE1 3.31Å; Q1601-E1605 PolarHBondContact NE2-OE1 3.38Å; Q1601-E1605 WeakPolarHBondContact O-CB 3.15Å; Q1601-E1605 WeakPolarHBondContact O-CG 3.38Å; Q1601-E1605 PolarHBondContact O-N 3.21Å; S1602-E1605 PolarHBondContact O-N 3Å; Y1603-E1605 VanDerWaalsContact C-N 3.28Å; Y1603-E1605 PolarHBondContact O-N 3.11Å; E1605-Q1608 PolarHBondContact O-N 3.38Å; E1605-Q1608 VanDerWaalsContact O-N 3.17Å; E1605-G1609 PolarHBondContact O-N 3.14Å; E1605-D1610 PolarHBondContact O-N 3.06Å; E1605-L1613 HydrophobicContact CG-CD2 4.28Å; E1605-R1617 IonicContact OE1-CZ 2.77Å; E1605-R1617 VanDerWaalsContact OE1-CZ 3.3Å; E1605-R1617 IonicContact OE1-NH1 2.77Å; E1605-R1617 PolarHBondContact OE1-NH1 3.38Å; E1605-R1617 IonicContact OE1-NH2 3.7Å; E1605-R1617 IonicContact OE2-CZ 3.15Å; E1605-R1617 IonicContact OE2-NE 3.49Å; E1605-R1617 IonicContact OE2-NH1 2.66Å; E1605-R1617 PolarHBondContact OE2-NH1 2.81Å; E1605-R1617 IonicContact OE2-NH2 2.69Å |
| 1606 | R | 74.3 | Confident | 76.2 | Confident | 24 Ų | 24 | 42.3 Ų | 42.3 | 9% | 0.091 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61.9 | -43.2 | 170.5 | -166.2 | 178.8 | -165.8 | 80.8 | -4.7 | 112.3 | S1602 Y1603 Q1608 G1609 Y1611 W1656 E1659 | S1602-R1606 PolarHBondContact O-N 2.88Å; Y1603-R1606 PolarHBondContact O-N 3.31Å; R1606-Q1608 PolarHBondContact O-N 2.84Å; R1606-G1609 PolarHBondContact O-N 3.45Å; R1606-Y1611 HydrophobicContact CG-CD1 3.97Å; R1606-Y1611 HydrophobicContact CG-CE1 4.2Å; R1606-W1656 VanDerWaalsContact CD-CE2 3.48Å; R1606-E1659 IonicContact CZ-OE2 3.56Å; R1606-E1659 IonicContact NH2-OE2 2.74Å; R1606-E1659 PolarHBondContact NH2-OE2 3.09Å |
| 1607 | E | 65.2 | Low | 76.7 | Confident | 80 Ų | 80 | 44.9 Ų | 44.9 | 37% | 0.374 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -65.6 | -21.8 | 175.1 | -74.9 | -64.9 | 99.5 | 0 | 0 | 113.5 | I1563 Y1603 H2087 | I1563-E1607 HydrophobicContact CD1-CB 4.35Å; I1563-E1607 WeakPolarHBondContact CD1-O 3.4Å; I1563-E1607 HydrophobicContact CG1-CB 4.38Å; Y1603-E1607 PolarHBondContact O-N 3.23Å; E1607-H2087 IonicContact OE1-CE1 3.71Å; E1607-H2087 PolarHBondContact OE1-CE1 2.97Å; E1607-H2087 IonicContact OE1-ND1 2.69Å |
| 1608 | Q | 67.4 | Low | 77 | Confident | 74 Ų | 74 | 43.8 Ų | 43.8 | 35% | 0.346 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -82.5 | -11.4 | 170.3 | -86.8 | 158.4 | 88.2 | 0 | 0 | 113.3 | I1563 L1604 E1605 R1606 | I1563-Q1608 HydrophobicContact CD1-CG 4.2Å; I1563-Q1608 HydrophobicContact CG2-CG 4.01Å; L1604-Q1608 VanDerWaalsContact CG-NE2 3.33Å; L1604-Q1608 PolarHBondContact O-N 3.35Å; L1604-Q1608 PolarHBondContact O-NE2 2.82Å; E1605-Q1608 PolarHBondContact O-N 3.38Å; E1605-Q1608 VanDerWaalsContact O-N 3.17Å; R1606-Q1608 PolarHBondContact O-N 2.84Å |
| 1609 | G | 72.8 | Confident | 77.4 | Confident | 32 Ų | 32 | 45 Ų | 45 | 33% | 0.33 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 96.4 | 2.2 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | E1605 R1606 Y1611 | E1605-G1609 PolarHBondContact O-N 3.14Å; R1606-G1609 PolarHBondContact O-N 3.45Å; G1609-Y1611 VanDerWaalsContact C-N 3.27Å; G1609-Y1611 WeakPolarHBondContact O-CD2 3.18Å; G1609-Y1611 VanDerWaalsContact O-CE2 3.29Å; G1609-Y1611 WeakPolarHBondContact O-CE2 3.4Å; G1609-Y1611 PolarHBondContact O-N 3.36Å |
| 1610 | D | 79 | Confident | 77.6 | Confident | 85 Ų | 85 | 46.6 Ų | 46.6 | 46% | 0.455 | 24% | 0.24 | S | C | . | . | trans | -86.2 | 61.3 | -178.1 | -69.4 | -40.5 | 0 | 0 | 0 | 111.5 | E1605 D1612 L1613 S1614 | E1605-D1610 PolarHBondContact O-N 3.06Å; D1610-D1612 PolarHBondContact O-N 3.45Å; D1610-L1613 HydrophobicContact CB-CB 4.02Å; D1610-L1613 HydrophobicContact CB-CD2 4.44Å; D1610-L1613 PolarHBondContact O-N 3.01Å; D1610-S1614 PolarHBondContact O-N 3.25Å | ||
| 1611 | Y | 78.7 | Confident | 77.9 | Confident | 93 Ų | 93 | 46.7 Ų | 46.7 | 37% | 0.365 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -53.6 | -48.6 | -172.3 | -56.6 | -80.8 | 0 | 0 | 0 | 113.5 | R1606 G1609 L1613 S1614 I1615 H2087 | R1606-Y1611 HydrophobicContact CG-CD1 3.97Å; R1606-Y1611 HydrophobicContact CG-CE1 4.2Å; G1609-Y1611 VanDerWaalsContact C-N 3.27Å; G1609-Y1611 WeakPolarHBondContact O-CD2 3.18Å; G1609-Y1611 VanDerWaalsContact O-CE2 3.29Å; G1609-Y1611 WeakPolarHBondContact O-CE2 3.4Å; G1609-Y1611 PolarHBondContact O-N 3.36Å; Y1611-L1613 VanDerWaalsContact C-N 3.34Å; Y1611-L1613 PolarHBondContact O-N 3.42Å; Y1611-S1614 PolarHBondContact O-N 3.16Å; Y1611-S1614 PolarHBondContact O-OG 3.31Å; Y1611-I1615 WeakPolarHBondContact O-CG1 3.48Å; Y1611-I1615 PolarHBondContact O-N 2.92Å; Y1611-I1615 VanDerWaalsContact O-N 3.15Å; Y1611-H2087 AromaticContact CE1-CD2 3.69Å; Y1611-H2087 AromaticContact CE1-NE2 3.72Å; Y1611-H2087 AromaticContact CZ-CD2 3.85Å; Y1611-H2087 PolarHBondContact OH-CD2 3.21Å |
| 1612 | D | 79.5 | Confident | 78 | Confident | 123 Ų | 123 | 45.2 Ų | 45.2 | 66% | 0.658 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -67.4 | -35 | -177.5 | -64.1 | -38.6 | 0 | 0 | 0 | 112.4 | D1610 I1615 S1616 | D1610-D1612 PolarHBondContact O-N 3.45Å; D1612-I1615 PolarHBondContact O-N 2.92Å; D1612-S1616 WeakPolarHBondContact O-CB 3.31Å; D1612-S1616 PolarHBondContact O-N 2.83Å |
| 1613 | L | 80.7 | Confident | 78.1 | Confident | 77 Ų | 77 | 51.5 Ų | 51.5 | 40% | 0.403 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -66.1 | -43.5 | 176.4 | -164.2 | 74.9 | 0 | 0 | 0 | 110.5 | E1605 D1610 Y1611 I1615 S1616 R1617 | E1605-L1613 HydrophobicContact CG-CD2 4.28Å; D1610-L1613 HydrophobicContact CB-CB 4.02Å; D1610-L1613 HydrophobicContact CB-CD2 4.44Å; D1610-L1613 PolarHBondContact O-N 3.01Å; Y1611-L1613 VanDerWaalsContact C-N 3.34Å; Y1611-L1613 PolarHBondContact O-N 3.42Å; L1613-I1615 PolarHBondContact O-N 3.37Å; L1613-S1616 PolarHBondContact O-N 3.26Å; L1613-R1617 VanDerWaalsContact O-CB 3.31Å; L1613-R1617 WeakPolarHBondContact O-CB 3.36Å; L1613-R1617 PolarHBondContact O-N 2.97Å |
| 1614 | S | 82.4 | Confident | 78 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -59.4 | -43.8 | 176.6 | 73.9 | 0 | 0 | 0 | 0 | 112.4 | S1602 D1610 Y1611 L1618 | S1602-S1614 WeakPolarHBondContact CB-O 3.46Å; S1602-S1614 WeakPolarHBondContact O-CB 3.26Å; D1610-S1614 PolarHBondContact O-N 3.25Å; Y1611-S1614 PolarHBondContact O-N 3.16Å; Y1611-S1614 PolarHBondContact O-OG 3.31Å; S1614-L1618 VanDerWaalsContact O-CB 3.3Å; S1614-L1618 WeakPolarHBondContact O-CB 3.3Å; S1614-L1618 PolarHBondContact O-N 2.99Å |
| 1615 | I | 84.2 | Confident | 78 | Confident | 12 Ų | 12 | 53 Ų | 53 | 6% | 0.062 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -66.8 | -47.6 | 179.3 | -69.6 | 171.2 | 0 | 0 | 0 | 110.6 | Y1611 D1612 L1613 R1617 L1618 Q1619 L1653 W1656 L1657 | Y1611-I1615 WeakPolarHBondContact O-CG1 3.48Å; Y1611-I1615 PolarHBondContact O-N 2.92Å; Y1611-I1615 VanDerWaalsContact O-N 3.15Å; D1612-I1615 PolarHBondContact O-N 2.92Å; L1613-I1615 PolarHBondContact O-N 3.37Å; I1615-R1617 PolarHBondContact O-N 2.99Å; I1615-L1618 PolarHBondContact O-N 3.15Å; I1615-Q1619 WeakPolarHBondContact O-CB 3.45Å; I1615-Q1619 WeakPolarHBondContact O-CG 3.34Å; I1615-Q1619 PolarHBondContact O-N 3.44Å; I1615-L1653 HydrophobicContact CG2-CD1 4.05Å; I1615-W1656 HydrophobicContact CD1-CB 4.22Å; I1615-W1656 HydrophobicContact CG1-CB 4.05Å; I1615-W1656 HydrophobicContact CG1-CE3 4.37Å; I1615-L1657 HydrophobicContact CG2-CD2 3.58Å; I1615-L1657 HydrophobicContact CG2-CG 4.4Å |
| 1616 | S | 83.8 | Confident | 77.5 | Confident | 72 Ų | 72 | 55.6 Ų | 55.6 | 50% | 0.503 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -60.8 | -43.9 | 179.3 | -178.5 | 0 | 0 | 0 | 0 | 112.2 | D1612 L1613 Q1619 S1620 | D1612-S1616 WeakPolarHBondContact O-CB 3.31Å; D1612-S1616 PolarHBondContact O-N 2.83Å; L1613-S1616 PolarHBondContact O-N 3.26Å; S1616-Q1619 PolarHBondContact O-N 3.37Å; S1616-S1620 PolarHBondContact O-N 2.87Å; S1616-S1620 PolarHBondContact O-OG 3.21Å |
| 1617 | R | 83.1 | Confident | 77.2 | Confident | 77 Ų | 77 | 60.4 Ų | 60.4 | 29% | 0.291 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -69.9 | -37.6 | 179.4 | -173 | 159.5 | -58.9 | 165.3 | 26.4 | 113.3 | I1598 Q1601 E1605 L1613 I1615 Q1619 S1620 G1621 | I1598-R1617 HydrophobicContact CG2-CG 4.05Å; I1598-R1617 WeakPolarHBondContact CG2-O 3.18Å; Q1601-R1617 VanDerWaalsContact CD-NH1 3.3Å; E1605-R1617 IonicContact OE1-CZ 2.77Å; E1605-R1617 VanDerWaalsContact OE1-CZ 3.3Å; E1605-R1617 IonicContact OE1-NH1 2.77Å; E1605-R1617 PolarHBondContact OE1-NH1 3.38Å; E1605-R1617 IonicContact OE1-NH2 3.7Å; E1605-R1617 IonicContact OE2-CZ 3.15Å; E1605-R1617 IonicContact OE2-NE 3.49Å; E1605-R1617 IonicContact OE2-NH1 2.66Å; E1605-R1617 PolarHBondContact OE2-NH1 2.81Å; E1605-R1617 IonicContact OE2-NH2 2.69Å; L1613-R1617 VanDerWaalsContact O-CB 3.31Å; L1613-R1617 WeakPolarHBondContact O-CB 3.36Å; L1613-R1617 PolarHBondContact O-N 2.97Å; I1615-R1617 PolarHBondContact O-N 2.99Å; R1617-Q1619 VanDerWaalsContact C-N 3.34Å; R1617-S1620 PolarHBondContact O-OG 3.44Å; R1617-G1621 PolarHBondContact O-N 2.96Å; R1617-G1621 VanDerWaalsContact O-N 3.15Å |
| 1618 | L | 83.3 | Confident | 77.3 | Confident | 2 Ų | 2 | 57.4 Ų | 57.4 | 1% | 0.01 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -67.6 | -36.5 | 173.9 | -172.4 | 60.5 | 0 | 0 | 0 | 111.1 | S1614 I1615 L1622 V1652 L1653 W1656 | S1614-L1618 VanDerWaalsContact O-CB 3.3Å; S1614-L1618 WeakPolarHBondContact O-CB 3.3Å; S1614-L1618 PolarHBondContact O-N 2.99Å; I1615-L1618 PolarHBondContact O-N 3.15Å; L1618-L1622 HydrophobicContact CD1-CD1 4.16Å; L1618-L1622 HydrophobicContact CD1-CG 4.46Å; L1618-L1622 HydrophobicContact CG-CD1 3.97Å; L1618-L1622 WeakPolarHBondContact O-CB 2.79Å; L1618-L1622 WeakPolarHBondContact O-CD1 3.38Å; L1618-L1622 WeakPolarHBondContact O-CG 3.3Å; L1618-L1622 PolarHBondContact O-N 3.02Å; L1618-L1622 VanDerWaalsContact O-N 3.13Å; L1618-V1652 HydrophobicContact CD2-CG1 4.17Å; L1618-L1653 HydrophobicContact CD2-CB 3.76Å; L1618-L1653 HydrophobicContact CD2-CD1 4.33Å; L1618-L1653 HydrophobicContact CG-CB 4.27Å; L1618-W1656 HydrophobicContact CD2-CE3 3.86Å; L1618-W1656 HydrophobicContact CD2-CH2 4.41Å; L1618-W1656 HydrophobicContact CD2-CZ3 3.65Å |
| 1619 | Q | 85.9 | Confident | 77.3 | Confident | 58 Ų | 58 | 55.5 Ų | 55.5 | 27% | 0.271 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -63 | -52.2 | 174.6 | -78.9 | 178.3 | -0.3 | 0 | 0 | 113 | I1615 S1616 R1617 G1621 L1622 Q1623 L1653 | I1615-Q1619 WeakPolarHBondContact O-CB 3.45Å; I1615-Q1619 WeakPolarHBondContact O-CG 3.34Å; I1615-Q1619 PolarHBondContact O-N 3.44Å; S1616-Q1619 PolarHBondContact O-N 3.37Å; R1617-Q1619 VanDerWaalsContact C-N 3.34Å; Q1619-G1621 VanDerWaalsContact C-N 3.35Å; Q1619-G1621 PolarHBondContact O-N 3.34Å; Q1619-L1622 PolarHBondContact O-N 3.5Å; Q1619-Q1623 WeakPolarHBondContact O-CG 3.25Å; Q1619-Q1623 PolarHBondContact O-N 3.04Å; Q1619-L1653 HydrophobicContact CG-CD1 3.77Å; Q1619-L1653 HydrophobicContact CG-CD2 3.67Å; Q1619-L1653 HydrophobicContact CG-CG 4.36Å |
| 1620 | S | 80.8 | Confident | 76.9 | Confident | 57 Ų | 57 | 62.4 Ų | 62.4 | 40% | 0.399 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -64.7 | -39.2 | -178.4 | 59.3 | 0 | 0 | 0 | 0 | 112.2 | S1616 R1617 L1622 Q1623 I1624 | S1616-S1620 PolarHBondContact O-N 2.87Å; S1616-S1620 PolarHBondContact O-OG 3.21Å; R1617-S1620 PolarHBondContact O-OG 3.44Å; S1620-L1622 VanDerWaalsContact C-N 3.32Å; S1620-L1622 PolarHBondContact O-N 2.98Å; S1620-Q1623 PolarHBondContact O-N 3.02Å; S1620-I1624 PolarHBondContact O-N 3.3Å |
| 1621 | G | 76.8 | Confident | 76.1 | Confident | 4 Ų | 4 | 66.2 Ų | 66.2 | 4% | 0.041 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -62.2 | -35 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | R1617 Q1619 | R1617-G1621 PolarHBondContact O-N 2.96Å; R1617-G1621 VanDerWaalsContact O-N 3.15Å; Q1619-G1621 VanDerWaalsContact C-N 3.35Å; Q1619-G1621 PolarHBondContact O-N 3.34Å |
| 1622 | L | 81 | Confident | 75 | Confident | 10 Ų | 10 | 64 Ų | 64 | 5% | 0.052 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -78.6 | -27.2 | 177.4 | -72.5 | 167.5 | 0 | 0 | 0 | 113.1 | L1595 L1618 Q1619 S1620 V1625 Y1646 I1650 L1653 | L1595-L1622 HydrophobicContact CD1-CD2 4.01Å; L1618-L1622 HydrophobicContact CD1-CD1 4.16Å; L1618-L1622 HydrophobicContact CD1-CG 4.46Å; L1618-L1622 HydrophobicContact CG-CD1 3.97Å; L1618-L1622 WeakPolarHBondContact O-CB 2.79Å; L1618-L1622 WeakPolarHBondContact O-CD1 3.38Å; L1618-L1622 WeakPolarHBondContact O-CG 3.3Å; L1618-L1622 PolarHBondContact O-N 3.02Å; L1618-L1622 VanDerWaalsContact O-N 3.13Å; Q1619-L1622 PolarHBondContact O-N 3.5Å; S1620-L1622 VanDerWaalsContact C-N 3.32Å; S1620-L1622 PolarHBondContact O-N 2.98Å; L1622-V1625 WeakPolarHBondContact O-CB 3.41Å; L1622-V1625 PolarHBondContact O-N 2.88Å; L1622-Y1646 HydrophobicContact CD2-CD2 3.56Å; L1622-Y1646 HydrophobicContact CD2-CE2 4.14Å; L1622-Y1646 HydrophobicContact CD2-CG 4.36Å; L1622-I1650 HydrophobicContact CD1-CG1 3.99Å; L1622-I1650 HydrophobicContact CD2-CG1 4.28Å; L1622-L1653 HydrophobicContact CD1-CB 4.33Å; L1622-L1653 HydrophobicContact CD1-CD2 3.9Å |
| 1623 | Q | 78.8 | Confident | 73.7 | Confident | 132 Ų | 132 | 65.1 Ų | 65.1 | 62% | 0.617 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -64.8 | -44.7 | 176.3 | -77 | 176.3 | -46.8 | 0 | 0 | 112.1 | Q1619 S1620 V1625 N1626 | Q1619-Q1623 WeakPolarHBondContact O-CG 3.25Å; Q1619-Q1623 PolarHBondContact O-N 3.04Å; S1620-Q1623 PolarHBondContact O-N 3.02Å; Q1623-V1625 PolarHBondContact O-N 3.4Å; Q1623-V1625 VanDerWaalsContact O-N 3.12Å; Q1623-N1626 PolarHBondContact O-N 3.22Å; Q1623-N1626 VanDerWaalsContact O-N 3.15Å |
| 1624 | I | 72.7 | Confident | 72.3 | Confident | 85 Ų | 85 | 70 Ų | 70 | 44% | 0.436 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -57.7 | -28.1 | 179.3 | -62.6 | 163.3 | 0 | 0 | 0 | 112 | S1620 N1626 E1627 V1628 | S1620-I1624 PolarHBondContact O-N 3.3Å; I1624-N1626 VanDerWaalsContact C-N 3.32Å; I1624-N1626 PolarHBondContact O-N 2.89Å; I1624-E1627 PolarHBondContact O-N 3.43Å; I1624-V1628 WeakPolarHBondContact O-CG2 3.46Å; I1624-V1628 PolarHBondContact O-N 3.23Å |
| 1625 | V | 70.4 | Confident | 70.5 | Confident | 1 Ų | 1 | 75.4 Ų | 75.4 | 1% | 0.006 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -64.2 | -35.2 | -179.5 | -179.4 | 0 | 0 | 0 | 0 | 112.4 | L1595 L1622 Q1623 V1628 I1629 Y1642 Y1646 | L1595-V1625 HydrophobicContact CD1-CG2 3.86Å; L1595-V1625 HydrophobicContact CD2-CG2 3.85Å; L1595-V1625 HydrophobicContact CG-CG2 4.37Å; L1622-V1625 WeakPolarHBondContact O-CB 3.41Å; L1622-V1625 PolarHBondContact O-N 2.88Å; Q1623-V1625 PolarHBondContact O-N 3.4Å; Q1623-V1625 VanDerWaalsContact O-N 3.12Å; V1625-V1628 PolarHBondContact O-N 2.87Å; V1625-I1629 HydrophobicContact CG1-CD1 3.66Å; V1625-I1629 HydrophobicContact CG1-CG1 4.27Å; V1625-I1629 WeakPolarHBondContact O-CG1 3.25Å; V1625-I1629 PolarHBondContact O-N 3.07Å; V1625-Y1642 HydrophobicContact CG1-CE1 3.87Å; V1625-Y1642 HydrophobicContact CG1-CE2 4.45Å; V1625-Y1642 HydrophobicContact CG2-CE2 4.36Å; V1625-Y1646 HydrophobicContact CB-CD2 3.63Å; V1625-Y1646 HydrophobicContact CB-CE2 3.82Å; V1625-Y1646 HydrophobicContact CG1-CD2 3.43Å; V1625-Y1646 VanDerWaalsContact CG1-CD2 3.43Å; V1625-Y1646 HydrophobicContact CG1-CE2 3.85Å; V1625-Y1646 HydrophobicContact CG1-CG 3.93Å; V1625-Y1646 HydrophobicContact CG2-CD2 3.91Å; V1625-Y1646 HydrophobicContact CG2-CE2 4.45Å |
| 1626 | N | 67.3 | Low | 68.7 | Low | 70 Ų | 70 | 77.4 Ų | 77.4 | 37% | 0.374 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -66.6 | -41.9 | -179.9 | -67.6 | -19.4 | 0 | 0 | 0 | 111.2 | Q1623 I1624 V1628 I1629 E1630 Y1646 | Q1623-N1626 PolarHBondContact O-N 3.22Å; Q1623-N1626 VanDerWaalsContact O-N 3.15Å; I1624-N1626 VanDerWaalsContact C-N 3.32Å; I1624-N1626 PolarHBondContact O-N 2.89Å; N1626-V1628 VanDerWaalsContact C-N 3.29Å; N1626-V1628 PolarHBondContact O-N 3.44Å; N1626-I1629 PolarHBondContact O-N 2.98Å; N1626-E1630 PolarHBondContact O-N 3.34Å; N1626-E1630 VanDerWaalsContact O-N 3.14Å; N1626-Y1646 PolarHBondContact OD1-OH 3.27Å |
| 1627 | E | 68 | Low | 67.2 | Low | 125 Ų | 125 | 82.4 Ų | 82.4 | 58% | 0.584 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -63 | -35.3 | 179 | -58.6 | 178.5 | 162.5 | 0 | 0 | 112 | I1624 Q1631 | I1624-E1627 PolarHBondContact O-N 3.43Å; E1627-Q1631 WeakPolarHBondContact O-CG 3Å; E1627-Q1631 PolarHBondContact O-NE2 3.23Å; E1627-Q1631 VanDerWaalsContact O-NE2 3.16Å |
| 1628 | V | 67.6 | Low | 65.8 | Low | 17 Ų | 17 | 83.9 Ų | 83.9 | 10% | 0.103 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -72.8 | -43.4 | 176.1 | 176.9 | 0 | 0 | 0 | 0 | 111.3 | I1624 V1625 N1626 E1630 Q1631 T1632 Y1642 | I1624-V1628 WeakPolarHBondContact O-CG2 3.46Å; I1624-V1628 PolarHBondContact O-N 3.23Å; V1625-V1628 PolarHBondContact O-N 2.87Å; N1626-V1628 VanDerWaalsContact C-N 3.29Å; N1626-V1628 PolarHBondContact O-N 3.44Å; V1628-E1630 VanDerWaalsContact C-N 3.29Å; V1628-E1630 PolarHBondContact O-N 3.38Å; V1628-Q1631 PolarHBondContact O-N 3.42Å; V1628-T1632 HydrophobicContact CG1-CG2 4.32Å; V1628-T1632 WeakPolarHBondContact O-CG2 3.49Å; V1628-T1632 PolarHBondContact O-N 3.15Å; V1628-T1632 PolarHBondContact O-OG1 3.39Å; V1628-Y1642 HydrophobicContact CG1-CE1 4.28Å |
| 1629 | I | 66.8 | Low | 64.7 | Low | 33 Ų | 33 | 84.6 Ų | 84.6 | 17% | 0.169 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -65.1 | -32.2 | -178.6 | -71.1 | 173.5 | 0 | 0 | 0 | 112 | V1625 N1626 Q1631 T1632 Y1642 I1643 L1679 | V1625-I1629 HydrophobicContact CG1-CD1 3.66Å; V1625-I1629 HydrophobicContact CG1-CG1 4.27Å; V1625-I1629 WeakPolarHBondContact O-CG1 3.25Å; V1625-I1629 PolarHBondContact O-N 3.07Å; N1626-I1629 PolarHBondContact O-N 2.98Å; I1629-Q1631 PolarHBondContact O-N 3.38Å; I1629-T1632 PolarHBondContact O-OG1 3.02Å; I1629-Y1642 HydrophobicContact CG1-CE1 4.37Å; I1629-I1643 HydrophobicContact CD1-CG1 4.36Å; I1629-L1679 HydrophobicContact CD1-CD1 4.29Å; I1629-L1679 HydrophobicContact CD1-CD2 4.23Å |
| 1630 | E | 65 | Low | 63.6 | Low | 178 Ų | 178 | 85.2 Ų | 85.2 | 83% | 0.832 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.5 | -15.2 | 174.3 | -69.8 | -170.4 | 165 | 0 | 0 | 113.8 | N1626 V1628 | N1626-E1630 PolarHBondContact O-N 3.34Å; N1626-E1630 VanDerWaalsContact O-N 3.14Å; V1628-E1630 VanDerWaalsContact C-N 3.29Å; V1628-E1630 PolarHBondContact O-N 3.38Å |
| 1631 | Q | 60.8 | Low | 62.8 | Low | 165 Ų | 165 | 83.8 Ų | 83.8 | 77% | 0.771 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.3 | -9.3 | -178.7 | -67.2 | 175 | 34.4 | 0 | 0 | 114.3 | E1627 V1628 I1629 | E1627-Q1631 WeakPolarHBondContact O-CG 3Å; E1627-Q1631 PolarHBondContact O-NE2 3.23Å; E1627-Q1631 VanDerWaalsContact O-NE2 3.16Å; V1628-Q1631 PolarHBondContact O-N 3.42Å; I1629-Q1631 PolarHBondContact O-N 3.38Å |
| 1632 | T | 56.1 | Low | 62.4 | Low | 46 Ų | 46 | 83.8 Ų | 83.8 | 28% | 0.282 | 43% | 0.431 | S | S | . | . | S | Bend | trans | -106.9 | 123.3 | -171.1 | 53.6 | 0 | 0 | 0 | 0 | 113.6 | L1588 V1628 I1629 | L1588-T1632 HydrophobicContact CD1-CG2 3.8Å; V1628-T1632 HydrophobicContact CG1-CG2 4.32Å; V1628-T1632 WeakPolarHBondContact O-CG2 3.49Å; V1628-T1632 PolarHBondContact O-N 3.15Å; V1628-T1632 PolarHBondContact O-OG1 3.39Å; I1629-T1632 PolarHBondContact O-OG1 3.02Å |
| 1633 | D | 51.7 | Low | 61.9 | Low | 146 Ų | 146 | 83.4 Ų | 83.4 | 78% | 0.781 | 43% | 0.429 | S | S | * | . | trans | -71.4 | 152.5 | 177.5 | -115.6 | -39 | 0 | 0 | 0 | 113.4 | S1635 | D1633-S1635 VanDerWaalsContact C-N 3.26Å; D1633-S1635 PolarHBondContact O-N 3.2Å | ||
| 1634 | K | 51.6 | Low | 61.4 | Low | 181 Ų | 181 | 79 Ų | 79 | 79% | 0.787 | 41% | 0.41 | S | S | * | . | S | Bend | trans | -77.5 | 30.1 | -153.9 | -61.6 | 177.6 | 179.7 | 170.6 | 0 | 117.1 | ||
| 1635 | S | 44.7 | Very low | 61.3 | Low | 112 Ų | 112 | 75.9 Ų | 75.9 | 78% | 0.783 | 40% | 0.395 | S | S | * | . | trans | -142.4 | 69.5 | -170.7 | 63.1 | 0 | 0 | 0 | 0 | 114.8 | D1633 | D1633-S1635 VanDerWaalsContact C-N 3.26Å; D1633-S1635 PolarHBondContact O-N 3.2Å | ||
| 1636 | S | 47.6 | Very low | 61.6 | Low | 55 Ų | 55 | 76.5 Ų | 76.5 | 39% | 0.385 | 40% | 0.397 | S | S | . | . | trans | -150.3 | 138.6 | 157.7 | 70.1 | 0 | 0 | 0 | 0 | 112.2 | H1638 L1639 | S1636-H1638 PolarHBondContact O-N 3.13Å; S1636-H1638 VanDerWaalsContact O-N 3.07Å; S1636-L1639 PolarHBondContact O-N 3.17Å; S1636-L1639 WeakPolarHBondContact OG-CD1 3.27Å | ||
| 1637 | E | 51.1 | Low | 61.8 | Low | 177 Ų | 177 | 73.6 Ų | 73.6 | 83% | 0.827 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.3 | -1.7 | -177.7 | -59.1 | 174.1 | 143.4 | 0 | 0 | 113.5 | ||
| 1638 | H | 53.5 | Low | 62 | Low | 108 Ų | 108 | 69.4 Ų | 69.4 | 50% | 0.5 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | -9.7 | 178.9 | -59.1 | -26.1 | 0 | 0 | 0 | 113.3 | S1636 D1640 | S1636-H1638 PolarHBondContact O-N 3.13Å; S1636-H1638 VanDerWaalsContact O-N 3.07Å; H1638-D1640 VanDerWaalsContact C-N 3.28Å; H1638-D1640 PolarHBondContact O-N 2.83Å |
| 1639 | L | 61.4 | Low | 62.3 | Low | 17 Ų | 17 | 68.7 Ų | 68.7 | 9% | 0.089 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -61.1 | -36.8 | 173.5 | -100.8 | 77 | 0 | 0 | 0 | 112 | L1588 S1636 G1641 Y1642 I1643 | L1588-L1639 HydrophobicContact CD1-CD1 3.52Å; L1588-L1639 HydrophobicContact CD1-CG 4.48Å; L1588-L1639 HydrophobicContact CD2-CD1 4.31Å; S1636-L1639 PolarHBondContact O-N 3.17Å; S1636-L1639 WeakPolarHBondContact OG-CD1 3.27Å; L1639-G1641 PolarHBondContact O-N 3.13Å; L1639-Y1642 WeakPolarHBondContact O-CB 3.3Å; L1639-Y1642 PolarHBondContact O-N 3.49Å; L1639-Y1642 VanDerWaalsContact O-N 3.1Å; L1639-I1643 HydrophobicContact CB-CD1 4.04Å; L1639-I1643 HydrophobicContact CD2-CD1 4.06Å; L1639-I1643 HydrophobicContact CG-CD1 4.23Å; L1639-I1643 WeakPolarHBondContact O-CB 3.21Å; L1639-I1643 WeakPolarHBondContact O-CG1 3.31Å; L1639-I1643 PolarHBondContact O-N 3.32Å |
| 1640 | D | 62.1 | Low | 62.9 | Low | 70 Ų | 70 | 67.5 Ų | 67.5 | 37% | 0.374 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -57.4 | -45.4 | -175.6 | -69.2 | 44.6 | 0 | 0 | 0 | 113.3 | H1638 Y1642 N1644 L1685 | H1638-D1640 VanDerWaalsContact C-N 3.28Å; H1638-D1640 PolarHBondContact O-N 2.83Å; D1640-Y1642 VanDerWaalsContact C-N 3.34Å; D1640-N1644 WeakPolarHBondContact O-CB 3.42Å; D1640-N1644 PolarHBondContact O-N 3.31Å; D1640-N1644 PolarHBondContact O-ND2 2.96Å; D1640-L1685 WeakPolarHBondContact OD1-CD2 3.42Å |
| 1641 | G | 64.4 | Low | 63.3 | Low | 27 Ų | 27 | 59.7 Ų | 59.7 | 28% | 0.278 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -67.2 | -35.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | W1592 L1639 C1645 | W1592-G1641 PolarHBondContact NE1-O 3.38Å; L1639-G1641 PolarHBondContact O-N 3.13Å; G1641-C1645 WeakPolarHBondContact O-CB 3.24Å; G1641-C1645 PolarHBondContact O-N 3.3Å; G1641-C1645 PolarHBondContact O-SG 3.49Å |
| 1642 | Y | 68.1 | Low | 63.9 | Low | 5 Ų | 5 | 52.3 Ų | 52.3 | 2% | 0.02 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -71.1 | -49 | 178.7 | -173.7 | -135.7 | 0 | 0 | 0 | 111.8 | L1588 H1591 W1592 L1595 V1625 V1628 I1629 L1639 D1640 C1645 Y1646 | L1588-Y1642 HydrophobicContact CD2-CD1 4.09Å; L1588-Y1642 HydrophobicContact CD2-CG 4.35Å; H1591-Y1642 HydrophobicContact CB-CE2 4.18Å; H1591-Y1642 WeakPolarHBondContact O-CE2 3.3Å; W1592-Y1642 HydrophobicContact CB-CD2 3.86Å; W1592-Y1642 HydrophobicContact CB-CG 4.4Å; W1592-Y1642 HydrophobicContact CG-CD2 4.35Å; L1595-Y1642 HydrophobicContact CB-CD2 4.42Å; L1595-Y1642 HydrophobicContact CB-CE2 3.92Å; L1595-Y1642 HydrophobicContact CD2-CD2 3.82Å; L1595-Y1642 HydrophobicContact CD2-CE2 3.64Å; L1595-Y1642 HydrophobicContact CG-CE2 4.43Å; V1625-Y1642 HydrophobicContact CG1-CE1 3.87Å; V1625-Y1642 HydrophobicContact CG1-CE2 4.45Å; V1625-Y1642 HydrophobicContact CG2-CE2 4.36Å; V1628-Y1642 HydrophobicContact CG1-CE1 4.28Å; I1629-Y1642 HydrophobicContact CG1-CE1 4.37Å; L1639-Y1642 WeakPolarHBondContact O-CB 3.3Å; L1639-Y1642 PolarHBondContact O-N 3.49Å; L1639-Y1642 VanDerWaalsContact O-N 3.1Å; D1640-Y1642 VanDerWaalsContact C-N 3.34Å; Y1642-C1645 WeakPolarHBondContact O-CB 3.42Å; Y1642-C1645 PolarHBondContact O-N 2.95Å; Y1642-Y1646 PolarHBondContact O-N 3.34Å |
| 1643 | I | 69.2 | Low | 65.1 | Low | 1 Ų | 1 | 50.2 Ų | 50.2 | 1% | 0.005 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -69.2 | -39.4 | -177.9 | -70.8 | 161.6 | 0 | 0 | 0 | 111.4 | I1629 L1639 C1645 Y1646 I1647 L1679 L1683 L1685 | I1629-I1643 HydrophobicContact CD1-CG1 4.36Å; L1639-I1643 HydrophobicContact CB-CD1 4.04Å; L1639-I1643 HydrophobicContact CD2-CD1 4.06Å; L1639-I1643 HydrophobicContact CG-CD1 4.23Å; L1639-I1643 WeakPolarHBondContact O-CB 3.21Å; L1639-I1643 WeakPolarHBondContact O-CG1 3.31Å; L1639-I1643 PolarHBondContact O-N 3.32Å; I1643-C1645 VanDerWaalsContact C-N 3.3Å; I1643-C1645 PolarHBondContact O-N 2.99Å; I1643-Y1646 WeakPolarHBondContact O-CB 3.34Å; I1643-Y1646 PolarHBondContact O-N 3.34Å; I1643-I1647 HydrophobicContact CG2-CD1 3.69Å; I1643-I1647 HydrophobicContact CG2-CG1 4.23Å; I1643-I1647 VanDerWaalsContact O-CG1 3.27Å; I1643-I1647 WeakPolarHBondContact O-CG1 3.29Å; I1643-I1647 PolarHBondContact O-N 3.49Å; I1643-L1679 HydrophobicContact CG2-CD2 4.39Å; I1643-L1683 HydrophobicContact CD1-CD1 3.42Å; I1643-L1683 VanDerWaalsContact CD1-CD1 3.42Å; I1643-L1685 HydrophobicContact CB-CD1 4.15Å; I1643-L1685 HydrophobicContact CD1-CD1 3.61Å; I1643-L1685 HydrophobicContact CG2-CD1 4.17Å |
| 1644 | N | 68.8 | Low | 66.3 | Low | 41 Ų | 41 | 43.3 Ų | 43.3 | 22% | 0.219 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -63.7 | -35.5 | 172.8 | -80.6 | -60.8 | 0 | 0 | 0 | 112.3 | D1640 H1648 D1688 | D1640-N1644 WeakPolarHBondContact O-CB 3.42Å; D1640-N1644 PolarHBondContact O-N 3.31Å; D1640-N1644 PolarHBondContact O-ND2 2.96Å; N1644-H1648 VanDerWaalsContact O-CB 3.23Å; N1644-H1648 WeakPolarHBondContact O-CB 3.07Å; N1644-H1648 PolarHBondContact O-N 3Å; N1644-D1688 PolarHBondContact OD1-N 3.48Å |
| 1645 | C | 70.7 | Confident | 67.3 | Low | 19 Ų | 19 | 36.7 Ų | 36.7 | 13% | 0.128 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -66.8 | -37.8 | 172.4 | -69.8 | 0 | 0 | 0 | 0 | 112.6 | W1592 L1595 G1641 Y1642 I1643 G1649 | W1592-C1645 PolarHBondContact NE1-SG 3.49Å; L1595-C1645 HydrophobicContact CD2-CB 4.18Å; G1641-C1645 WeakPolarHBondContact O-CB 3.24Å; G1641-C1645 PolarHBondContact O-N 3.3Å; G1641-C1645 PolarHBondContact O-SG 3.49Å; Y1642-C1645 WeakPolarHBondContact O-CB 3.42Å; Y1642-C1645 PolarHBondContact O-N 2.95Å; I1643-C1645 VanDerWaalsContact C-N 3.3Å; I1643-C1645 PolarHBondContact O-N 2.99Å; C1645-G1649 PolarHBondContact O-N 3.36Å |
| 1646 | Y | 76.2 | Confident | 69 | Low | 13 Ų | 13 | 32.1 Ų | 32.1 | 5% | 0.051 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -65.5 | -49.9 | 175.2 | 171.2 | -100.1 | 0 | 0 | 0 | 112.5 | L1622 V1625 N1626 Y1642 I1643 H1648 G1649 I1650 A1676 L1679 | L1622-Y1646 HydrophobicContact CD2-CD2 3.56Å; L1622-Y1646 HydrophobicContact CD2-CE2 4.14Å; L1622-Y1646 HydrophobicContact CD2-CG 4.36Å; V1625-Y1646 HydrophobicContact CB-CD2 3.63Å; V1625-Y1646 HydrophobicContact CB-CE2 3.82Å; V1625-Y1646 HydrophobicContact CG1-CD2 3.43Å; V1625-Y1646 VanDerWaalsContact CG1-CD2 3.43Å; V1625-Y1646 HydrophobicContact CG1-CE2 3.85Å; V1625-Y1646 HydrophobicContact CG1-CG 3.93Å; V1625-Y1646 HydrophobicContact CG2-CD2 3.91Å; V1625-Y1646 HydrophobicContact CG2-CE2 4.45Å; N1626-Y1646 PolarHBondContact OD1-OH 3.27Å; Y1642-Y1646 PolarHBondContact O-N 3.34Å; I1643-Y1646 WeakPolarHBondContact O-CB 3.34Å; I1643-Y1646 PolarHBondContact O-N 3.34Å; Y1646-H1648 PolarHBondContact O-N 2.93Å; Y1646-G1649 PolarHBondContact O-N 3.28Å; Y1646-I1650 HydrophobicContact CD1-CD1 4.19Å; Y1646-I1650 HydrophobicContact CD2-CD1 4.38Å; Y1646-I1650 HydrophobicContact CE1-CD1 3.57Å; Y1646-I1650 HydrophobicContact CE2-CD1 3.83Å; Y1646-I1650 PolarHBondContact O-N 3.42Å; Y1646-A1676 HydrophobicContact CE1-CB 4.38Å; Y1646-L1679 HydrophobicContact CE1-CD1 4.39Å |
| 1647 | I | 72.3 | Confident | 70.6 | Confident | 9 Ų | 9 | 29.7 Ų | 29.7 | 5% | 0.046 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -59.8 | -47.6 | 177.7 | -62.9 | 162.3 | 0 | 0 | 0 | 110 | I1643 G1649 I1650 T1651 A1680 P1687 A1691 | I1643-I1647 HydrophobicContact CG2-CD1 3.69Å; I1643-I1647 HydrophobicContact CG2-CG1 4.23Å; I1643-I1647 VanDerWaalsContact O-CG1 3.27Å; I1643-I1647 WeakPolarHBondContact O-CG1 3.29Å; I1643-I1647 PolarHBondContact O-N 3.49Å; I1647-G1649 PolarHBondContact O-N 3.05Å; I1647-I1650 PolarHBondContact O-N 3.23Å; I1647-T1651 PolarHBondContact O-N 3.48Å; I1647-A1680 HydrophobicContact CD1-CB 3.76Å; I1647-P1687 HydrophobicContact CD1-CB 4.33Å; I1647-A1691 HydrophobicContact CG2-CB 3.71Å |
| 1648 | H | 72.2 | Confident | 71.6 | Confident | 38 Ų | 38 | 25.1 Ų | 25.1 | 18% | 0.176 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -59.2 | -47 | 175.9 | -178.9 | 106.1 | 0 | 0 | 0 | 111.2 | N1644 Y1646 I1650 T1651 V1652 | N1644-H1648 VanDerWaalsContact O-CB 3.23Å; N1644-H1648 WeakPolarHBondContact O-CB 3.07Å; N1644-H1648 PolarHBondContact O-N 3Å; Y1646-H1648 PolarHBondContact O-N 2.93Å; H1648-I1650 VanDerWaalsContact C-N 3.32Å; H1648-I1650 PolarHBondContact O-N 2.98Å; H1648-T1651 PolarHBondContact O-N 3.32Å; H1648-T1651 VanDerWaalsContact O-N 3.12Å; H1648-T1651 PolarHBondContact O-OG1 2.83Å; H1648-V1652 WeakPolarHBondContact O-CG2 3.35Å; H1648-V1652 PolarHBondContact O-N 2.78Å |
| 1649 | G | 74.5 | Confident | 72.5 | Confident | 2 Ų | 2 | 25.8 Ų | 25.8 | 2% | 0.021 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -56.6 | -41.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | C1645 Y1646 I1647 V1652 L1653 | C1645-G1649 PolarHBondContact O-N 3.36Å; Y1646-G1649 PolarHBondContact O-N 3.28Å; I1647-G1649 PolarHBondContact O-N 3.05Å; G1649-V1652 PolarHBondContact O-N 3.36Å; G1649-L1653 WeakPolarHBondContact O-CB 3.38Å; G1649-L1653 PolarHBondContact O-N 3.07Å |
| 1650 | I | 78.6 | Confident | 73.1 | Confident | 8 Ų | 8 | 27.1 Ų | 27.1 | 4% | 0.041 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -64.3 | -43.9 | 173.5 | -78.4 | 178.5 | 0 | 0 | 0 | 111.8 | L1622 Y1646 I1647 H1648 V1652 L1653 C1654 A1676 | L1622-I1650 HydrophobicContact CD1-CG1 3.99Å; L1622-I1650 HydrophobicContact CD2-CG1 4.28Å; Y1646-I1650 HydrophobicContact CD1-CD1 4.19Å; Y1646-I1650 HydrophobicContact CD2-CD1 4.38Å; Y1646-I1650 HydrophobicContact CE1-CD1 3.57Å; Y1646-I1650 HydrophobicContact CE2-CD1 3.83Å; Y1646-I1650 PolarHBondContact O-N 3.42Å; I1647-I1650 PolarHBondContact O-N 3.23Å; H1648-I1650 VanDerWaalsContact C-N 3.32Å; H1648-I1650 PolarHBondContact O-N 2.98Å; I1650-V1652 VanDerWaalsContact C-N 3.34Å; I1650-V1652 PolarHBondContact O-N 3.27Å; I1650-L1653 PolarHBondContact O-N 2.9Å; I1650-C1654 WeakPolarHBondContact O-CB 3.17Å; I1650-C1654 PolarHBondContact O-N 3.13Å; I1650-C1654 PolarHBondContact O-SG 3.29Å; I1650-A1676 HydrophobicContact CD1-CB 3.9Å; I1650-A1676 HydrophobicContact CG2-CB 4.23Å |
| 1651 | T | 72.6 | Confident | 73.7 | Confident | 13 Ų | 13 | 34.5 Ų | 34.5 | 8% | 0.08 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -64.1 | -38.8 | 178.4 | 60.1 | 0 | 0 | 0 | 0 | 112.5 | I1647 H1648 C1654 N1655 A1691 C1694 | I1647-T1651 PolarHBondContact O-N 3.48Å; H1648-T1651 PolarHBondContact O-N 3.32Å; H1648-T1651 VanDerWaalsContact O-N 3.12Å; H1648-T1651 PolarHBondContact O-OG1 2.83Å; T1651-C1654 PolarHBondContact O-N 3.43Å; T1651-N1655 PolarHBondContact O-N 3.24Å; T1651-N1655 VanDerWaalsContact O-N 3.12Å; T1651-A1691 HydrophobicContact CG2-CB 4.27Å; T1651-C1694 HydrophobicContact CG2-CB 4.3Å |
| 1652 | V | 74.6 | Confident | 74.2 | Confident | 10 Ų | 10 | 37 Ų | 37 | 6% | 0.061 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -64.4 | -47.3 | 174.4 | 172.8 | 0 | 0 | 0 | 0 | 110.7 | Y1603 L1618 H1648 G1649 I1650 C1654 N1655 W1656 | Y1603-V1652 HydrophobicContact CE2-CG1 4.39Å; Y1603-V1652 VanDerWaalsContact OH-CG2 3.24Å; Y1603-V1652 WeakPolarHBondContact OH-CG2 3.33Å; L1618-V1652 HydrophobicContact CD2-CG1 4.17Å; H1648-V1652 WeakPolarHBondContact O-CG2 3.35Å; H1648-V1652 PolarHBondContact O-N 2.78Å; G1649-V1652 PolarHBondContact O-N 3.36Å; I1650-V1652 VanDerWaalsContact C-N 3.34Å; I1650-V1652 PolarHBondContact O-N 3.27Å; V1652-C1654 VanDerWaalsContact C-N 3.32Å; V1652-C1654 PolarHBondContact O-N 3.18Å; V1652-N1655 PolarHBondContact O-N 3.45Å; V1652-W1656 HydrophobicContact CG1-CD2 3.9Å; V1652-W1656 VanDerWaalsContact CG1-CE2 3.45Å; V1652-W1656 HydrophobicContact CG1-CE3 4.26Å; V1652-W1656 HydrophobicContact CG1-CH2 3.84Å; V1652-W1656 HydrophobicContact CG1-CZ2 3.44Å; V1652-W1656 VanDerWaalsContact CG1-CZ2 3.44Å; V1652-W1656 HydrophobicContact CG1-CZ3 4.24Å; V1652-W1656 PolarHBondContact O-N 3.33Å |
| 1653 | L | 81.1 | Confident | 74.6 | Confident | 2 Ų | 2 | 40.8 Ų | 40.8 | 1% | 0.01 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -58.4 | -42.7 | 175.7 | 177.1 | 62.4 | 0 | 0 | 0 | 111.9 | I1615 L1618 Q1619 L1622 G1649 I1650 W1656 L1657 Y1672 | I1615-L1653 HydrophobicContact CG2-CD1 4.05Å; L1618-L1653 HydrophobicContact CD2-CB 3.76Å; L1618-L1653 HydrophobicContact CD2-CD1 4.33Å; L1618-L1653 HydrophobicContact CG-CB 4.27Å; Q1619-L1653 HydrophobicContact CG-CD1 3.77Å; Q1619-L1653 HydrophobicContact CG-CD2 3.67Å; Q1619-L1653 HydrophobicContact CG-CG 4.36Å; L1622-L1653 HydrophobicContact CD1-CB 4.33Å; L1622-L1653 HydrophobicContact CD1-CD2 3.9Å; G1649-L1653 WeakPolarHBondContact O-CB 3.38Å; G1649-L1653 PolarHBondContact O-N 3.07Å; I1650-L1653 PolarHBondContact O-N 2.9Å; L1653-W1656 PolarHBondContact O-N 2.67Å; L1653-L1657 HydrophobicContact CD1-CD1 3.89Å; L1653-L1657 HydrophobicContact CD1-CD2 4.45Å; L1653-L1657 HydrophobicContact CD1-CG 3.89Å; L1653-L1657 HydrophobicContact CD2-CD1 4.36Å; L1653-L1657 HydrophobicContact CG-CD1 3.77Å; L1653-L1657 HydrophobicContact CG-CG 4.21Å; L1653-L1657 WeakPolarHBondContact O-CB 3.19Å; L1653-L1657 VanDerWaalsContact O-CG 3.24Å; L1653-L1657 WeakPolarHBondContact O-CG 3.16Å; L1653-L1657 PolarHBondContact O-N 3.31Å; L1653-Y1672 HydrophobicContact CD2-CD1 4.3Å; L1653-Y1672 HydrophobicContact CD2-CE1 4.02Å |
| 1654 | C | 76.1 | Confident | 74.8 | Confident | 1 Ų | 1 | 43.4 Ų | 43.4 | 1% | 0.007 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -63.6 | -42.2 | 178.9 | -67.4 | 0 | 0 | 0 | 0 | 111.9 | I1650 T1651 V1652 L1657 Y1658 L1668 I1673 | I1650-C1654 WeakPolarHBondContact O-CB 3.17Å; I1650-C1654 PolarHBondContact O-N 3.13Å; I1650-C1654 PolarHBondContact O-SG 3.29Å; T1651-C1654 PolarHBondContact O-N 3.43Å; V1652-C1654 VanDerWaalsContact C-N 3.32Å; V1652-C1654 PolarHBondContact O-N 3.18Å; C1654-L1657 PolarHBondContact O-N 3.07Å; C1654-Y1658 WeakPolarHBondContact O-CB 3.35Å; C1654-Y1658 PolarHBondContact O-N 3.17Å; C1654-L1668 HydrophobicContact CB-CD2 4.43Å; C1654-I1673 HydrophobicContact CB-CD1 4.32Å; C1654-I1673 HydrophobicContact CB-CG1 4.46Å |
| 1655 | N | 73.4 | Confident | 74.8 | Confident | 43 Ų | 43 | 42.2 Ų | 42.2 | 23% | 0.23 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -60.9 | -46.6 | 174 | -71.1 | -8.5 | 0 | 0 | 0 | 111.2 | T1651 V1652 L1657 Y1658 E1659 | T1651-N1655 PolarHBondContact O-N 3.24Å; T1651-N1655 VanDerWaalsContact O-N 3.12Å; V1652-N1655 PolarHBondContact O-N 3.45Å; N1655-L1657 PolarHBondContact O-N 3.03Å; N1655-Y1658 PolarHBondContact O-N 3.15Å; N1655-E1659 WeakPolarHBondContact O-CB 3.37Å; N1655-E1659 WeakPolarHBondContact O-CG 3.18Å; N1655-E1659 PolarHBondContact O-N 2.61Å |
| 1656 | W | 80.8 | Confident | 74.8 | Confident | 16 Ų | 16 | 43.6 Ų | 43.6 | 6% | 0.061 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -67.4 | -35.5 | 179.9 | -64.2 | -8.7 | 0 | 0 | 0 | 113.5 | Y1603 R1606 I1615 L1618 V1652 L1653 Y1658 S1660 | Y1603-W1656 HydrophobicContact CD1-CH2 4.13Å; Y1603-W1656 AromaticContact CD1-CZ2 3.79Å; Y1603-W1656 HydrophobicContact CD1-CZ2 3.79Å; Y1603-W1656 HydrophobicContact CD2-CH2 4.41Å; Y1603-W1656 HydrophobicContact CE1-CH2 4.31Å; Y1603-W1656 AromaticContact CE1-CZ2 3.69Å; Y1603-W1656 HydrophobicContact CE1-CZ2 3.69Å; Y1603-W1656 HydrophobicContact CG-CH2 4.19Å; Y1603-W1656 HydrophobicContact CG-CZ2 4.31Å; R1606-W1656 VanDerWaalsContact CD-CE2 3.48Å; I1615-W1656 HydrophobicContact CD1-CB 4.22Å; I1615-W1656 HydrophobicContact CG1-CB 4.05Å; I1615-W1656 HydrophobicContact CG1-CE3 4.37Å; L1618-W1656 HydrophobicContact CD2-CE3 3.86Å; L1618-W1656 HydrophobicContact CD2-CH2 4.41Å; L1618-W1656 HydrophobicContact CD2-CZ3 3.65Å; V1652-W1656 HydrophobicContact CG1-CD2 3.9Å; V1652-W1656 VanDerWaalsContact CG1-CE2 3.45Å; V1652-W1656 HydrophobicContact CG1-CE3 4.26Å; V1652-W1656 HydrophobicContact CG1-CH2 3.84Å; V1652-W1656 HydrophobicContact CG1-CZ2 3.44Å; V1652-W1656 VanDerWaalsContact CG1-CZ2 3.44Å; V1652-W1656 HydrophobicContact CG1-CZ3 4.24Å; V1652-W1656 PolarHBondContact O-N 3.33Å; L1653-W1656 PolarHBondContact O-N 2.67Å; W1656-Y1658 VanDerWaalsContact C-N 3.33Å; W1656-S1660 WeakPolarHBondContact O-CB 3.25Å; W1656-S1660 PolarHBondContact O-N 3.25Å; W1656-S1660 PolarHBondContact O-OG 3.48Å |
| 1657 | L | 80.6 | Confident | 74.8 | Confident | 4 Ų | 4 | 46.4 Ų | 46.4 | 2% | 0.021 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -68 | -32.5 | 173.3 | -72.1 | 173.6 | 0 | 0 | 0 | 112.3 | I1615 L1653 C1654 N1655 S1660 R1661 T1662 K1663 L1668 | I1615-L1657 HydrophobicContact CG2-CD2 3.58Å; I1615-L1657 HydrophobicContact CG2-CG 4.4Å; L1653-L1657 HydrophobicContact CD1-CD1 3.89Å; L1653-L1657 HydrophobicContact CD1-CD2 4.45Å; L1653-L1657 HydrophobicContact CD1-CG 3.89Å; L1653-L1657 HydrophobicContact CD2-CD1 4.36Å; L1653-L1657 HydrophobicContact CG-CD1 3.77Å; L1653-L1657 HydrophobicContact CG-CG 4.21Å; L1653-L1657 WeakPolarHBondContact O-CB 3.19Å; L1653-L1657 VanDerWaalsContact O-CG 3.24Å; L1653-L1657 WeakPolarHBondContact O-CG 3.16Å; L1653-L1657 PolarHBondContact O-N 3.31Å; C1654-L1657 PolarHBondContact O-N 3.07Å; N1655-L1657 PolarHBondContact O-N 3.03Å; L1657-S1660 WeakPolarHBondContact CA-OG 3.33Å; L1657-S1660 PolarHBondContact O-OG 3.18Å; L1657-R1661 PolarHBondContact O-N 3.31Å; L1657-T1662 WeakPolarHBondContact CA-OG1 3.15Å; L1657-T1662 WeakPolarHBondContact CD2-OG1 3.49Å; L1657-T1662 PolarHBondContact O-N 3.01Å; L1657-T1662 PolarHBondContact O-OG1 3.32Å; L1657-T1662 VanDerWaalsContact O-OG1 3.07Å; L1657-K1663 HydrophobicContact CD1-CD 4.46Å; L1657-L1668 HydrophobicContact CB-CD1 4.35Å; L1657-L1668 HydrophobicContact CB-CD2 3.87Å; L1657-L1668 HydrophobicContact CD1-CD2 3.67Å; L1657-L1668 HydrophobicContact CG-CD2 4.44Å |
| 1658 | Y | 72.2 | Confident | 74.9 | Confident | 80 Ų | 80 | 46 Ų | 46 | 31% | 0.314 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -74.3 | -46.4 | 174.7 | -176.9 | -99.8 | 0 | 0 | 0 | 112.4 | C1654 N1655 W1656 S1660 R1661 A1665 F1698 Q1702 | C1654-Y1658 WeakPolarHBondContact O-CB 3.35Å; C1654-Y1658 PolarHBondContact O-N 3.17Å; N1655-Y1658 PolarHBondContact O-N 3.15Å; W1656-Y1658 VanDerWaalsContact C-N 3.33Å; Y1658-S1660 VanDerWaalsContact C-N 3.34Å; Y1658-S1660 PolarHBondContact O-N 3.15Å; Y1658-R1661 WeakPolarHBondContact O-CA 3.14Å; Y1658-R1661 PolarHBondContact O-N 3.3Å; Y1658-A1665 HydrophobicContact CE2-CB 4.35Å; Y1658-F1698 AromaticContact CD2-CE2 3.93Å; Y1658-F1698 HydrophobicContact CD2-CE2 3.93Å; Y1658-F1698 HydrophobicContact CG-CE2 4.01Å; Y1658-Q1702 VanDerWaalsContact CE2-OE1 3.23Å; Y1658-Q1702 PolarHBondContact OH-NE2 2.91Å; Y1658-Q1702 PolarHBondContact OH-OE1 2.81Å |
| 1659 | E | 72.8 | Confident | 74.9 | Confident | 122 Ų | 122 | 45.6 Ų | 45.6 | 57% | 0.57 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -58.1 | -44 | 175.6 | -75.8 | 170.7 | -173.3 | 0 | 0 | 111.9 | R1606 N1655 R1661 | R1606-E1659 IonicContact CZ-OE2 3.56Å; R1606-E1659 IonicContact NH2-OE2 2.74Å; R1606-E1659 PolarHBondContact NH2-OE2 3.09Å; N1655-E1659 WeakPolarHBondContact O-CB 3.37Å; N1655-E1659 WeakPolarHBondContact O-CG 3.18Å; N1655-E1659 PolarHBondContact O-N 2.61Å; E1659-R1661 PolarHBondContact O-N 3.01Å |
| 1660 | S | 74.6 | Confident | 75 | Confident | 46 Ų | 46 | 50.8 Ų | 50.8 | 32% | 0.322 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | -6.7 | 174 | 58.5 | 0 | 0 | 0 | 0 | 114.1 | W1656 L1657 Y1658 T1662 | W1656-S1660 WeakPolarHBondContact O-CB 3.25Å; W1656-S1660 PolarHBondContact O-N 3.25Å; W1656-S1660 PolarHBondContact O-OG 3.48Å; L1657-S1660 WeakPolarHBondContact CA-OG 3.33Å; L1657-S1660 PolarHBondContact O-OG 3.18Å; Y1658-S1660 VanDerWaalsContact C-N 3.34Å; Y1658-S1660 PolarHBondContact O-N 3.15Å; S1660-T1662 PolarHBondContact O-N 3.25Å; S1660-T1662 WeakPolarHBondContact OG-CG2 3.32Å; S1660-T1662 PolarHBondContact OG-OG1 3.23Å |
| 1661 | R | 73.6 | Confident | 74.9 | Confident | 225 Ų | 225 | 55 Ų | 55 | 85% | 0.849 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.5 | 29.5 | -175.5 | -56.5 | -176.1 | 177.5 | -166.3 | -1.6 | 114.1 | L1657 Y1658 E1659 | L1657-R1661 PolarHBondContact O-N 3.31Å; Y1658-R1661 WeakPolarHBondContact O-CA 3.14Å; Y1658-R1661 PolarHBondContact O-N 3.3Å; E1659-R1661 PolarHBondContact O-N 3.01Å |
| 1662 | T | 74.3 | Confident | 75.1 | Confident | 78 Ų | 78 | 56.6 Ų | 56.6 | 48% | 0.479 | 29% | 0.288 | S | S | . | . | trans | -82.2 | -19.9 | -175.8 | 46.6 | 0 | 0 | 0 | 0 | 113.5 | L1657 S1660 | L1657-T1662 WeakPolarHBondContact CA-OG1 3.15Å; L1657-T1662 WeakPolarHBondContact CD2-OG1 3.49Å; L1657-T1662 PolarHBondContact O-N 3.01Å; L1657-T1662 PolarHBondContact O-OG1 3.32Å; L1657-T1662 VanDerWaalsContact O-OG1 3.07Å; S1660-T1662 PolarHBondContact O-N 3.25Å; S1660-T1662 WeakPolarHBondContact OG-CG2 3.32Å; S1660-T1662 PolarHBondContact OG-OG1 3.23Å | ||
| 1663 | K | 77 | Confident | 75.1 | Confident | 85 Ų | 85 | 56.6 Ų | 56.6 | 37% | 0.37 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -137.9 | 156.8 | 173.5 | -66.9 | -160.5 | 173.7 | -167.4 | 0 | 112.2 | L1657 L1668 Y1672 | L1657-K1663 HydrophobicContact CD1-CD 4.46Å; K1663-L1668 HydrophobicContact CB-CD2 4.06Å; K1663-L1668 HydrophobicContact CB-CG 4.14Å; K1663-L1668 HydrophobicContact CD-CD2 4.39Å; K1663-Y1672 HydrophobicContact CD-CE2 4.01Å; K1663-Y1672 PolarHBondContact NZ-OH 3.25Å |
| 1664 | S | 73.2 | Confident | 74.7 | Confident | 56 Ų | 56 | 59.5 Ų | 59.5 | 39% | 0.392 | 30% | 0.302 | S | S | . | . | trans | -72.4 | 154.2 | 174.4 | 83.1 | 0 | 0 | 0 | 0 | 111.3 | A1666 D1667 L1668 | S1664-A1666 VanDerWaalsContact C-N 3.25Å; S1664-A1666 PolarHBondContact O-N 3.47Å; S1664-D1667 WeakPolarHBondContact CB-OD2 3.16Å; S1664-D1667 PolarHBondContact O-N 2.93Å; S1664-D1667 WeakPolarHBondContact OG-CB 3.36Å; S1664-D1667 VanDerWaalsContact OG-CG 3.22Å; S1664-D1667 PolarHBondContact OG-N 3.21Å; S1664-D1667 PolarHBondContact OG-OD2 2.81Å; S1664-L1668 WeakPolarHBondContact O-CG 3.45Å; S1664-L1668 PolarHBondContact O-N 3.01Å; S1664-L1668 VanDerWaalsContact O-N 3.1Å | ||
| 1665 | A | 68.6 | Low | 74.7 | Confident | 17 Ų | 17 | 62.1 Ų | 62.1 | 14% | 0.14 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -63.6 | -32.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y1658 L1668 L1669 F1698 Q1702 F1766 | Y1658-A1665 HydrophobicContact CE2-CB 4.35Å; A1665-L1668 PolarHBondContact O-N 2.54Å; A1665-L1669 WeakPolarHBondContact O-CB 3.19Å; A1665-L1669 PolarHBondContact O-N 2.86Å; A1665-L1669 VanDerWaalsContact O-N 3.07Å; A1665-F1698 HydrophobicContact CB-CZ 3.9Å; A1665-Q1702 HydrophobicContact CB-CG 3.84Å; A1665-F1766 HydrophobicContact CB-CZ 4.22Å |
| 1666 | A | 70.6 | Confident | 74.6 | Confident | 47 Ų | 47 | 60.2 Ų | 60.2 | 39% | 0.388 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -67.2 | -42.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | S1664 L1668 L1669 L1670 | S1664-A1666 VanDerWaalsContact C-N 3.25Å; S1664-A1666 PolarHBondContact O-N 3.47Å; A1666-L1668 VanDerWaalsContact C-N 3.31Å; A1666-L1668 PolarHBondContact O-N 2.84Å; A1666-L1669 PolarHBondContact O-N 2.76Å; A1666-L1670 WeakPolarHBondContact O-CB 3.27Å; A1666-L1670 WeakPolarHBondContact O-CG 3.5Å; A1666-L1670 PolarHBondContact O-N 3.25Å |
| 1667 | D | 77.1 | Confident | 74.1 | Confident | 72 Ų | 72 | 61.3 Ų | 61.3 | 39% | 0.385 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -61.2 | -39.3 | 175.3 | -74.1 | -61 | 0 | 0 | 0 | 112.3 | S1664 N1671 | S1664-D1667 WeakPolarHBondContact CB-OD2 3.16Å; S1664-D1667 PolarHBondContact O-N 2.93Å; S1664-D1667 WeakPolarHBondContact OG-CB 3.36Å; S1664-D1667 VanDerWaalsContact OG-CG 3.22Å; S1664-D1667 PolarHBondContact OG-N 3.21Å; S1664-D1667 PolarHBondContact OG-OD2 2.81Å; D1667-N1671 WeakPolarHBondContact CA-ND2 3.48Å; D1667-N1671 WeakPolarHBondContact O-CB 3.5Å; D1667-N1671 PolarHBondContact O-N 2.94Å; D1667-N1671 PolarHBondContact O-ND2 2.99Å; D1667-N1671 PolarHBondContact OD1-ND2 3.13Å |
| 1668 | L | 75 | Confident | 73.7 | Confident | 0 Ų | 0 | 65.1 Ų | 65.1 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -67.3 | -43.2 | 177.8 | -67.1 | 173.7 | 0 | 0 | 0 | 111.2 | C1654 L1657 K1663 S1664 A1665 A1666 Y1672 I1673 F1698 | C1654-L1668 HydrophobicContact CB-CD2 4.43Å; L1657-L1668 HydrophobicContact CB-CD1 4.35Å; L1657-L1668 HydrophobicContact CB-CD2 3.87Å; L1657-L1668 HydrophobicContact CD1-CD2 3.67Å; L1657-L1668 HydrophobicContact CG-CD2 4.44Å; K1663-L1668 HydrophobicContact CB-CD2 4.06Å; K1663-L1668 HydrophobicContact CB-CG 4.14Å; K1663-L1668 HydrophobicContact CD-CD2 4.39Å; S1664-L1668 WeakPolarHBondContact O-CG 3.45Å; S1664-L1668 PolarHBondContact O-N 3.01Å; S1664-L1668 VanDerWaalsContact O-N 3.1Å; A1665-L1668 PolarHBondContact O-N 2.54Å; A1666-L1668 VanDerWaalsContact C-N 3.31Å; A1666-L1668 PolarHBondContact O-N 2.84Å; L1668-Y1672 HydrophobicContact CD2-CD2 4.09Å; L1668-Y1672 HydrophobicContact CD2-CE2 4.3Å; L1668-Y1672 WeakPolarHBondContact O-CB 3.49Å; L1668-Y1672 PolarHBondContact O-N 3.44Å; L1668-I1673 PolarHBondContact O-N 2.92Å; L1668-F1698 HydrophobicContact CB-CZ 4.27Å; L1668-F1698 HydrophobicContact CD1-CE2 4.26Å; L1668-F1698 HydrophobicContact CD1-CZ 4.31Å |
| 1669 | L | 72 | Confident | 73.6 | Confident | 30 Ų | 30 | 62.9 Ų | 62.9 | 16% | 0.157 | 33% | 0.33 | C | S | . | . | I | π-helix | trans | -68.3 | -45.4 | -179.5 | -157.7 | 152.9 | 0 | 0 | 0 | 111.6 | A1665 A1666 N1674 F1766 | A1665-L1669 WeakPolarHBondContact O-CB 3.19Å; A1665-L1669 PolarHBondContact O-N 2.86Å; A1665-L1669 VanDerWaalsContact O-N 3.07Å; A1666-L1669 PolarHBondContact O-N 2.76Å; L1669-N1674 WeakPolarHBondContact CD2-ND2 3.36Å; L1669-N1674 WeakPolarHBondContact O-CB 3.49Å; L1669-N1674 PolarHBondContact O-N 3.4Å; L1669-F1766 HydrophobicContact CD1-CD1 3.94Å; L1669-F1766 HydrophobicContact CD1-CE1 3.59Å |
| 1670 | L | 75.6 | Confident | 73.4 | Confident | 112 Ų | 112 | 57.1 Ų | 57.1 | 59% | 0.586 | 30% | 0.303 | S | S | * | . | I | π-helix | trans | -73.9 | -44 | -179 | -72.2 | 169.9 | 0 | 0 | 0 | 114 | A1666 P1675 | A1666-L1670 WeakPolarHBondContact O-CB 3.27Å; A1666-L1670 WeakPolarHBondContact O-CG 3.5Å; A1666-L1670 PolarHBondContact O-N 3.25Å; L1670-P1675 VanDerWaalsContact O-CD 3.24Å; L1670-P1675 WeakPolarHBondContact O-CD 3.45Å |
| 1671 | N | 78.3 | Confident | 73.2 | Confident | 97 Ų | 97 | 61 Ų | 61 | 52% | 0.519 | 32% | 0.316 | S | S | . | . | I | π-helix | trans | -98.7 | -11.7 | -168.5 | -54.6 | -66.9 | 0 | 0 | 0 | 114.6 | D1667 | D1667-N1671 WeakPolarHBondContact CA-ND2 3.48Å; D1667-N1671 WeakPolarHBondContact O-CB 3.5Å; D1667-N1671 PolarHBondContact O-N 2.94Å; D1667-N1671 PolarHBondContact O-ND2 2.99Å; D1667-N1671 PolarHBondContact OD1-ND2 3.13Å |
| 1672 | Y | 76.7 | Confident | 73.1 | Confident | 46 Ų | 46 | 60.9 Ų | 60.9 | 18% | 0.18 | 32% | 0.316 | C | S | . | . | I | π-helix | trans | -126.2 | -56.8 | -178.8 | -66.3 | -96.3 | 0 | 0 | 0 | 112.4 | L1653 K1663 L1668 A1676 | L1653-Y1672 HydrophobicContact CD2-CD1 4.3Å; L1653-Y1672 HydrophobicContact CD2-CE1 4.02Å; K1663-Y1672 HydrophobicContact CD-CE2 4.01Å; K1663-Y1672 PolarHBondContact NZ-OH 3.25Å; L1668-Y1672 HydrophobicContact CD2-CD2 4.09Å; L1668-Y1672 HydrophobicContact CD2-CE2 4.3Å; L1668-Y1672 WeakPolarHBondContact O-CB 3.49Å; L1668-Y1672 PolarHBondContact O-N 3.44Å; Y1672-A1676 WeakPolarHBondContact O-CB 3.44Å; Y1672-A1676 PolarHBondContact O-N 3.48Å |
| 1673 | I | 72.6 | Confident | 72.7 | Confident | 10 Ų | 10 | 59.7 Ų | 59.7 | 5% | 0.051 | 31% | 0.306 | C | S | . | . | I | π-helix | trans | -69.9 | -55.4 | -171.8 | -65.2 | 174.9 | 0 | 0 | 0 | 111.6 | C1654 L1668 A1676 I1677 L1695 F1698 | C1654-I1673 HydrophobicContact CB-CD1 4.32Å; C1654-I1673 HydrophobicContact CB-CG1 4.46Å; L1668-I1673 PolarHBondContact O-N 2.92Å; I1673-A1676 PolarHBondContact O-N 2.65Å; I1673-I1677 HydrophobicContact CG2-CD1 3.73Å; I1673-I1677 WeakPolarHBondContact O-CG1 3.27Å; I1673-I1677 PolarHBondContact O-N 2.98Å; I1673-L1695 HydrophobicContact CD1-CD1 4.33Å; I1673-L1695 HydrophobicContact CG2-CD1 3.59Å; I1673-F1698 HydrophobicContact CD1-CD1 3.99Å; I1673-F1698 HydrophobicContact CD1-CE1 3.99Å |
| 1674 | N | 73.9 | Confident | 72.1 | Confident | 62 Ų | 62 | 64.9 Ų | 64.9 | 33% | 0.332 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -60.2 | -43.2 | -179.4 | -77.1 | -4.1 | 0 | 0 | 0 | 112.8 | L1669 A1676 I1677 N1678 | L1669-N1674 WeakPolarHBondContact CD2-ND2 3.36Å; L1669-N1674 WeakPolarHBondContact O-CB 3.49Å; L1669-N1674 PolarHBondContact O-N 3.4Å; N1674-A1676 PolarHBondContact O-N 2.79Å; N1674-I1677 PolarHBondContact O-N 3.29Å; N1674-N1678 VanDerWaalsContact O-CB 3.3Å; N1674-N1678 WeakPolarHBondContact O-CB 3.49Å; N1674-N1678 PolarHBondContact O-N 3.11Å; N1674-N1678 PolarHBondContact O-ND2 2.92Å; N1674-N1678 VanDerWaalsContact O-ND2 3.15Å |
| 1675 | P | 76.7 | Confident | 71.6 | Confident | 57 Ų | 57 | 63.5 Ų | 63.5 | 37% | 0.37 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -55.4 | -44.6 | 171.8 | -30.3 | 37.6 | 0 | 0 | 0 | 113.9 | L1670 N1678 L1679 | L1670-P1675 VanDerWaalsContact O-CD 3.24Å; L1670-P1675 WeakPolarHBondContact O-CD 3.45Å; P1675-N1678 PolarHBondContact O-N 3.18Å; P1675-L1679 WeakPolarHBondContact O-CB 3.36Å; P1675-L1679 PolarHBondContact O-N 3.06Å |
| 1676 | A | 70.3 | Confident | 71.3 | Confident | 2 Ų | 2 | 68.8 Ų | 68.8 | 2% | 0.017 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -64.5 | -42.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y1646 I1650 Y1672 I1673 N1674 L1679 A1680 | Y1646-A1676 HydrophobicContact CE1-CB 4.38Å; I1650-A1676 HydrophobicContact CD1-CB 3.9Å; I1650-A1676 HydrophobicContact CG2-CB 4.23Å; Y1672-A1676 WeakPolarHBondContact O-CB 3.44Å; Y1672-A1676 PolarHBondContact O-N 3.48Å; I1673-A1676 PolarHBondContact O-N 2.65Å; N1674-A1676 PolarHBondContact O-N 2.79Å; A1676-L1679 PolarHBondContact O-N 2.75Å; A1676-A1680 PolarHBondContact O-N 2.89Å; A1676-A1680 VanDerWaalsContact O-N 3.08Å |
| 1677 | I | 70.3 | Confident | 71 | Confident | 39 Ų | 39 | 67.5 Ų | 67.5 | 20% | 0.2 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -66.2 | -43.9 | 176.5 | -63 | 167.3 | 0 | 0 | 0 | 110.7 | I1673 N1674 L1679 A1680 Q1681 L1695 | I1673-I1677 HydrophobicContact CG2-CD1 3.73Å; I1673-I1677 WeakPolarHBondContact O-CG1 3.27Å; I1673-I1677 PolarHBondContact O-N 2.98Å; N1674-I1677 PolarHBondContact O-N 3.29Å; I1677-L1679 VanDerWaalsContact C-N 3.28Å; I1677-L1679 PolarHBondContact O-N 2.55Å; I1677-A1680 PolarHBondContact O-N 3.11Å; I1677-Q1681 HydrophobicContact CG2-CG 4.47Å; I1677-Q1681 WeakPolarHBondContact O-CG 3.43Å; I1677-Q1681 PolarHBondContact O-N 3.29Å; I1677-L1695 HydrophobicContact CD1-CD2 3.77Å |
| 1678 | N | 73.3 | Confident | 70.6 | Confident | 85 Ų | 85 | 66.9 Ų | 66.9 | 46% | 0.455 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -62.4 | -34.9 | 176.9 | -72.7 | -26.8 | 0 | 0 | 0 | 112.2 | N1674 P1675 R1682 | N1674-N1678 VanDerWaalsContact O-CB 3.3Å; N1674-N1678 WeakPolarHBondContact O-CB 3.49Å; N1674-N1678 PolarHBondContact O-N 3.11Å; N1674-N1678 PolarHBondContact O-ND2 2.92Å; N1674-N1678 VanDerWaalsContact O-ND2 3.15Å; P1675-N1678 PolarHBondContact O-N 3.18Å; N1678-R1682 WeakPolarHBondContact O-CB 3.43Å; N1678-R1682 VanDerWaalsContact O-CG 3.28Å; N1678-R1682 WeakPolarHBondContact O-CG 3.21Å; N1678-R1682 PolarHBondContact O-N 2.72Å |
| 1679 | L | 69.9 | Low | 70.5 | Confident | 33 Ų | 33 | 67.1 Ų | 67.1 | 17% | 0.173 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -67.4 | -46 | 175.2 | -166.8 | 155.7 | 0 | 0 | 0 | 111 | I1629 I1643 Y1646 P1675 A1676 I1677 Q1681 R1682 L1683 | I1629-L1679 HydrophobicContact CD1-CD1 4.29Å; I1629-L1679 HydrophobicContact CD1-CD2 4.23Å; I1643-L1679 HydrophobicContact CG2-CD2 4.39Å; Y1646-L1679 HydrophobicContact CE1-CD1 4.39Å; P1675-L1679 WeakPolarHBondContact O-CB 3.36Å; P1675-L1679 PolarHBondContact O-N 3.06Å; A1676-L1679 PolarHBondContact O-N 2.75Å; I1677-L1679 VanDerWaalsContact C-N 3.28Å; I1677-L1679 PolarHBondContact O-N 2.55Å; L1679-Q1681 PolarHBondContact O-N 2.93Å; L1679-R1682 PolarHBondContact O-N 2.99Å; L1679-L1683 HydrophobicContact CD2-CD1 3.81Å; L1679-L1683 PolarHBondContact O-N 3Å |
| 1680 | A | 67.6 | Low | 70.4 | Confident | 0 Ų | 0 | 68.6 Ų | 68.6 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -58.2 | -47.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | I1647 A1676 I1677 L1683 K1684 L1685 P1687 | I1647-A1680 HydrophobicContact CD1-CB 3.76Å; A1676-A1680 PolarHBondContact O-N 2.89Å; A1676-A1680 VanDerWaalsContact O-N 3.08Å; I1677-A1680 PolarHBondContact O-N 3.11Å; A1680-L1683 CarbonylContact O-C 3.58Å; A1680-L1683 PolarHBondContact O-N 3.26Å; A1680-K1684 PolarHBondContact O-N 2.63Å; A1680-K1684 VanDerWaalsContact O-N 3.12Å; A1680-L1685 PolarHBondContact O-N 3.33Å; A1680-L1685 VanDerWaalsContact O-N 3.09Å; A1680-P1687 HydrophobicContact CB-CG 4.09Å |
| 1681 | Q | 71.1 | Confident | 70.1 | Confident | 129 Ų | 129 | 63.6 Ų | 63.6 | 60% | 0.603 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -63.7 | -41 | 178.3 | -71 | -179.6 | 9.8 | 0 | 0 | 112.7 | I1677 L1679 L1683 K1684 | I1677-Q1681 HydrophobicContact CG2-CG 4.47Å; I1677-Q1681 WeakPolarHBondContact O-CG 3.43Å; I1677-Q1681 PolarHBondContact O-N 3.29Å; L1679-Q1681 PolarHBondContact O-N 2.93Å; Q1681-L1683 PolarHBondContact O-N 3.16Å; Q1681-K1684 PolarHBondContact O-N 3.22Å; Q1681-K1684 VanDerWaalsContact O-N 3.08Å |
| 1682 | R | 71.3 | Confident | 70.1 | Confident | 221 Ų | 221 | 59.5 Ų | 59.5 | 83% | 0.834 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -58.5 | -29.8 | 175 | -84.1 | 176.4 | 173.8 | -172.2 | -0.3 | 113.1 | N1678 L1679 | N1678-R1682 WeakPolarHBondContact O-CB 3.43Å; N1678-R1682 VanDerWaalsContact O-CG 3.28Å; N1678-R1682 WeakPolarHBondContact O-CG 3.21Å; N1678-R1682 PolarHBondContact O-N 2.72Å; L1679-R1682 PolarHBondContact O-N 2.99Å |
| 1683 | L | 65.8 | Low | 70.1 | Confident | 53 Ų | 53 | 57.8 Ų | 57.8 | 28% | 0.277 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.5 | 3.3 | -180 | -62 | 174.3 | 0 | 0 | 0 | 113.2 | I1643 L1679 A1680 Q1681 L1685 | I1643-L1683 HydrophobicContact CD1-CD1 3.42Å; I1643-L1683 VanDerWaalsContact CD1-CD1 3.42Å; L1679-L1683 HydrophobicContact CD2-CD1 3.81Å; L1679-L1683 PolarHBondContact O-N 3Å; A1680-L1683 CarbonylContact O-C 3.58Å; A1680-L1683 PolarHBondContact O-N 3.26Å; Q1681-L1683 PolarHBondContact O-N 3.16Å; L1683-L1685 HydrophobicContact CB-CD1 4.3Å; L1683-L1685 HydrophobicContact CB-CG 4.04Å; L1683-L1685 PolarHBondContact O-N 3.15Å |
| 1684 | K | 64.7 | Low | 70 | Confident | 194 Ų | 194 | 58.6 Ų | 58.6 | 84% | 0.843 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59 | 24.8 | -177.9 | -57.9 | -178.2 | 176.4 | 179.4 | 0 | 114.8 | A1680 Q1681 | A1680-K1684 PolarHBondContact O-N 2.63Å; A1680-K1684 VanDerWaalsContact O-N 3.12Å; Q1681-K1684 PolarHBondContact O-N 3.22Å; Q1681-K1684 VanDerWaalsContact O-N 3.08Å |
| 1685 | L | 62.1 | Low | 70.2 | Confident | 27 Ų | 27 | 56.5 Ų | 56.5 | 14% | 0.141 | 28% | 0.278 | C | S | . | . | P | Polyproline II helix | trans | -90.8 | 133 | -179.4 | -55.1 | -174.6 | 0 | 0 | 0 | 110.4 | D1640 I1643 A1680 L1683 P1687 | D1640-L1685 WeakPolarHBondContact OD1-CD2 3.42Å; I1643-L1685 HydrophobicContact CB-CD1 4.15Å; I1643-L1685 HydrophobicContact CD1-CD1 3.61Å; I1643-L1685 HydrophobicContact CG2-CD1 4.17Å; A1680-L1685 PolarHBondContact O-N 3.33Å; A1680-L1685 VanDerWaalsContact O-N 3.09Å; L1683-L1685 HydrophobicContact CB-CD1 4.3Å; L1683-L1685 HydrophobicContact CB-CG 4.04Å; L1683-L1685 PolarHBondContact O-N 3.15Å; L1685-P1687 WeakPolarHBondContact O-CD 3.36Å |
| 1686 | N | 63.1 | Low | 70.5 | Confident | 129 Ų | 129 | 53.8 Ų | 53.8 | 69% | 0.69 | 26% | 0.261 | S | S | * | . | P | Polyproline II helix | trans | -75.6 | 119.3 | 171.9 | -73.5 | -28.4 | 0 | 0 | 0 | 109.1 | ||
| 1687 | P | 63.2 | Low | 70.9 | Confident | 20 Ų | 20 | 58.8 Ų | 58.8 | 13% | 0.13 | 28% | 0.282 | C | S | . | . | P | Polyproline II helix | trans | -66.1 | 145.9 | 176.7 | -18.2 | 30.9 | 0 | 0 | 0 | 111.9 | I1647 A1680 L1685 F1692 | I1647-P1687 HydrophobicContact CD1-CB 4.33Å; A1680-P1687 HydrophobicContact CB-CG 4.09Å; L1685-P1687 WeakPolarHBondContact O-CD 3.36Å; P1687-F1692 HydrophobicContact CB-CD2 4.25Å; P1687-F1692 HydrophobicContact CB-CE2 3.64Å; P1687-F1692 HydrophobicContact CB-CZ 4.02Å; P1687-F1692 HydrophobicContact CG-CE2 3.82Å; P1687-F1692 HydrophobicContact CG-CZ 3.73Å; P1687-F1692 WeakPolarHBondContact O-CE2 3.2Å |
| 1688 | D | 69.1 | Low | 71.2 | Confident | 59 Ų | 59 | 57.3 Ų | 57.3 | 32% | 0.316 | 27% | 0.274 | S | S | . | . | P | Polyproline II helix | trans | -52.7 | 138.9 | 173.4 | 176.5 | 27.6 | 0 | 0 | 0 | 112.4 | N1644 N1690 A1691 F1692 | N1644-D1688 PolarHBondContact OD1-N 3.48Å; D1688-N1690 PolarHBondContact O-N 2.66Å; D1688-N1690 VanDerWaalsContact O-N 3.1Å; D1688-N1690 PolarHBondContact OD1-N 3.25Å; D1688-N1690 PolarHBondContact OD1-ND2 2.73Å; D1688-N1690 VanDerWaalsContact OD2-CB 3.3Å; D1688-N1690 WeakPolarHBondContact OD2-CB 3.32Å; D1688-N1690 PolarHBondContact OD2-ND2 3.16Å; D1688-A1691 WeakPolarHBondContact O-CB 3.31Å; D1688-A1691 PolarHBondContact O-N 2.69Å; D1688-F1692 PolarHBondContact O-N 3.15Å |
| 1689 | A | 74.1 | Confident | 71.5 | Confident | 5 Ų | 5 | 53.3 Ų | 53.3 | 4% | 0.041 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -57.2 | -27.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | F1692 M1693 C1777 L1780 | A1689-F1692 PolarHBondContact O-N 3.06Å; A1689-M1693 PolarHBondContact O-N 2.84Å; A1689-C1777 PolarHBondContact O-SG 3.02Å; A1689-L1780 HydrophobicContact CB-CB 3.96Å |
| 1690 | N | 68.5 | Low | 72.2 | Confident | 61 Ų | 61 | 52.2 Ų | 52.2 | 33% | 0.326 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -70.3 | -33.1 | 175.2 | -55.8 | -64.3 | 0 | 0 | 0 | 112.8 | D1688 M1693 C1694 H1784 | D1688-N1690 PolarHBondContact O-N 2.66Å; D1688-N1690 VanDerWaalsContact O-N 3.1Å; D1688-N1690 PolarHBondContact OD1-N 3.25Å; D1688-N1690 PolarHBondContact OD1-ND2 2.73Å; D1688-N1690 VanDerWaalsContact OD2-CB 3.3Å; D1688-N1690 WeakPolarHBondContact OD2-CB 3.32Å; D1688-N1690 PolarHBondContact OD2-ND2 3.16Å; N1690-M1693 PolarHBondContact O-N 3.15Å; N1690-C1694 PolarHBondContact O-N 2.72Å; N1690-C1694 PolarHBondContact O-SG 3.37Å; N1690-C1694 VanDerWaalsContact O-SG 3.41Å; N1690-H1784 PolarHBondContact OD1-NE2 3.36Å |
| 1691 | A | 68.7 | Low | 72.8 | Confident | 6 Ų | 6 | 54.2 Ų | 54.2 | 5% | 0.05 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -66.2 | -43 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | I1647 T1651 D1688 M1693 C1694 L1695 | I1647-A1691 HydrophobicContact CG2-CB 3.71Å; T1651-A1691 HydrophobicContact CG2-CB 4.27Å; D1688-A1691 WeakPolarHBondContact O-CB 3.31Å; D1688-A1691 PolarHBondContact O-N 2.69Å; A1691-M1693 VanDerWaalsContact C-N 3.33Å; A1691-M1693 PolarHBondContact O-N 3.42Å; A1691-C1694 PolarHBondContact O-N 3.16Å; A1691-L1695 WeakPolarHBondContact O-CB 3.46Å; A1691-L1695 PolarHBondContact O-N 3.49Å |
| 1692 | F | 78.2 | Confident | 73.3 | Confident | 12 Ų | 12 | 48.9 Ų | 48.9 | 5% | 0.053 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62.5 | -37.5 | 171.8 | -73 | -68 | 0 | 0 | 0 | 112.7 | P1687 D1688 A1689 L1695 A1696 A1773 Q1776 C1777 L1780 | P1687-F1692 HydrophobicContact CB-CD2 4.25Å; P1687-F1692 HydrophobicContact CB-CE2 3.64Å; P1687-F1692 HydrophobicContact CB-CZ 4.02Å; P1687-F1692 HydrophobicContact CG-CE2 3.82Å; P1687-F1692 HydrophobicContact CG-CZ 3.73Å; P1687-F1692 WeakPolarHBondContact O-CE2 3.2Å; D1688-F1692 PolarHBondContact O-N 3.15Å; A1689-F1692 PolarHBondContact O-N 3.06Å; F1692-L1695 PolarHBondContact O-N 2.84Å; F1692-A1696 VanDerWaalsContact O-CB 3.25Å; F1692-A1696 WeakPolarHBondContact O-CB 3.49Å; F1692-A1696 PolarHBondContact O-N 3.29Å; F1692-A1773 HydrophobicContact CD1-CB 4.45Å; F1692-Q1776 HydrophobicContact CD1-CB 3.92Å; F1692-Q1776 HydrophobicContact CD2-CB 4.36Å; F1692-Q1776 HydrophobicContact CE1-CB 3.87Å; F1692-Q1776 HydrophobicContact CE1-CG 4.33Å; F1692-Q1776 HydrophobicContact CE2-CB 4.29Å; F1692-Q1776 HydrophobicContact CG-CB 4.17Å; F1692-Q1776 HydrophobicContact CZ-CB 4.05Å; F1692-C1777 HydrophobicContact CB-CB 3.79Å; F1692-L1780 HydrophobicContact CD2-CD1 3.71Å; F1692-L1780 HydrophobicContact CE2-CD1 3.53Å |
| 1693 | M | 78.5 | Confident | 74 | Confident | 9 Ų | 9 | 38.6 Ų | 38.6 | 4% | 0.044 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -62.7 | -45.8 | 174.3 | 178.9 | 47.4 | 59.4 | 0 | 0 | 112.2 | A1689 N1690 A1691 A1696 K1697 Y1774 H1784 S1787 | A1689-M1693 PolarHBondContact O-N 2.84Å; N1690-M1693 PolarHBondContact O-N 3.15Å; A1691-M1693 VanDerWaalsContact C-N 3.33Å; A1691-M1693 PolarHBondContact O-N 3.42Å; M1693-A1696 PolarHBondContact O-N 2.77Å; M1693-K1697 WeakPolarHBondContact O-CB 3.17Å; M1693-K1697 WeakPolarHBondContact O-CG 3.28Å; M1693-K1697 PolarHBondContact O-N 3.41Å; M1693-K1697 HydrophobicContact SD-CD 4.23Å; M1693-K1697 HydrophobicContact SD-CG 3.93Å; M1693-Y1774 HydrophobicContact CE-CD1 4.18Å; M1693-Y1774 HydrophobicContact CE-CE1 3.99Å; M1693-Y1774 HydrophobicContact SD-CE1 4.02Å; M1693-H1784 HydrophobicContact CE-CB 3.66Å; M1693-S1787 WeakPolarHBondContact CE-OG 3.45Å |
| 1694 | C | 70.6 | Confident | 74.9 | Confident | 27 Ų | 27 | 39 Ų | 39 | 18% | 0.182 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -62.4 | -45.1 | 175.9 | -70.7 | 0 | 0 | 0 | 0 | 111.8 | T1651 N1690 A1691 A1696 K1697 F1698 | T1651-C1694 HydrophobicContact CG2-CB 4.3Å; N1690-C1694 PolarHBondContact O-N 2.72Å; N1690-C1694 PolarHBondContact O-SG 3.37Å; N1690-C1694 VanDerWaalsContact O-SG 3.41Å; A1691-C1694 PolarHBondContact O-N 3.16Å; C1694-A1696 PolarHBondContact O-N 2.88Å; C1694-K1697 PolarHBondContact O-N 3.35Å; C1694-F1698 WeakPolarHBondContact O-CB 3.44Å; C1694-F1698 PolarHBondContact O-N 3.5Å |
| 1695 | L | 76.2 | Confident | 75.7 | Confident | 19 Ų | 19 | 33.4 Ų | 33.4 | 10% | 0.099 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -58.2 | -46.6 | 175.2 | 176.7 | 59 | 0 | 0 | 0 | 112.1 | I1673 I1677 A1691 F1692 F1698 S1699 A1773 | I1673-L1695 HydrophobicContact CD1-CD1 4.33Å; I1673-L1695 HydrophobicContact CG2-CD1 3.59Å; I1677-L1695 HydrophobicContact CD1-CD2 3.77Å; A1691-L1695 WeakPolarHBondContact O-CB 3.46Å; A1691-L1695 PolarHBondContact O-N 3.49Å; F1692-L1695 PolarHBondContact O-N 2.84Å; L1695-F1698 PolarHBondContact O-N 3.49Å; L1695-S1699 WeakPolarHBondContact O-CB 3.35Å; L1695-S1699 PolarHBondContact O-N 2.75Å; L1695-S1699 PolarHBondContact O-OG 3.42Å; L1695-A1773 HydrophobicContact CB-CB 4.22Å; L1695-A1773 HydrophobicContact CD2-CB 3.85Å; L1695-A1773 HydrophobicContact CG-CB 3.84Å |
| 1696 | A | 83.5 | Confident | 76.7 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -62.9 | -49.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | F1692 M1693 C1694 F1698 S1699 D1700 A1773 Y1774 | F1692-A1696 VanDerWaalsContact O-CB 3.25Å; F1692-A1696 WeakPolarHBondContact O-CB 3.49Å; F1692-A1696 PolarHBondContact O-N 3.29Å; M1693-A1696 PolarHBondContact O-N 2.77Å; C1694-A1696 PolarHBondContact O-N 2.88Å; A1696-F1698 PolarHBondContact O-N 2.79Å; A1696-S1699 PolarHBondContact O-N 3.15Å; A1696-S1699 PolarHBondContact O-OG 2.76Å; A1696-D1700 WeakPolarHBondContact O-CB 3.25Å; A1696-D1700 PolarHBondContact O-N 2.95Å; A1696-A1773 HydrophobicContact CB-CB 3.78Å; A1696-Y1774 HydrophobicContact CB-CD1 3.46Å; A1696-Y1774 VanDerWaalsContact CB-CD1 3.46Å; A1696-Y1774 HydrophobicContact CB-CD2 3.87Å; A1696-Y1774 HydrophobicContact CB-CE1 3.48Å; A1696-Y1774 VanDerWaalsContact CB-CE1 3.48Å; A1696-Y1774 HydrophobicContact CB-CE2 3.9Å; A1696-Y1774 HydrophobicContact CB-CG 3.64Å |
| 1697 | K | 78.9 | Confident | 77.7 | Confident | 107 Ų | 107 | 29.8 Ų | 29.8 | 47% | 0.465 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -56.7 | -45.2 | 174.7 | -77.4 | -178.3 | 172.8 | -171.9 | 0 | 112.6 | M1693 C1694 A1701 | M1693-K1697 WeakPolarHBondContact O-CB 3.17Å; M1693-K1697 WeakPolarHBondContact O-CG 3.28Å; M1693-K1697 PolarHBondContact O-N 3.41Å; M1693-K1697 HydrophobicContact SD-CD 4.23Å; M1693-K1697 HydrophobicContact SD-CG 3.93Å; C1694-K1697 PolarHBondContact O-N 3.35Å; K1697-A1701 VanDerWaalsContact O-CB 3.31Å; K1697-A1701 WeakPolarHBondContact O-CB 3.27Å; K1697-A1701 PolarHBondContact O-N 2.78Å |
| 1698 | F | 76.4 | Confident | 78.6 | Confident | 8 Ų | 8 | 32.3 Ų | 32.3 | 4% | 0.035 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -64.2 | -48.1 | -178.3 | 170.2 | -100.3 | 0 | 0 | 0 | 112.3 | Y1658 A1665 L1668 I1673 C1694 L1695 A1696 A1701 Q1702 | Y1658-F1698 AromaticContact CD2-CE2 3.93Å; Y1658-F1698 HydrophobicContact CD2-CE2 3.93Å; Y1658-F1698 HydrophobicContact CG-CE2 4.01Å; A1665-F1698 HydrophobicContact CB-CZ 3.9Å; L1668-F1698 HydrophobicContact CB-CZ 4.27Å; L1668-F1698 HydrophobicContact CD1-CE2 4.26Å; L1668-F1698 HydrophobicContact CD1-CZ 4.31Å; I1673-F1698 HydrophobicContact CD1-CD1 3.99Å; I1673-F1698 HydrophobicContact CD1-CE1 3.99Å; C1694-F1698 WeakPolarHBondContact O-CB 3.44Å; C1694-F1698 PolarHBondContact O-N 3.5Å; L1695-F1698 PolarHBondContact O-N 3.49Å; A1696-F1698 PolarHBondContact O-N 2.79Å; F1698-A1701 PolarHBondContact O-N 3.36Å; F1698-Q1702 HydrophobicContact CE1-CG 4.42Å; F1698-Q1702 HydrophobicContact CZ-CG 4.28Å; F1698-Q1702 WeakPolarHBondContact O-CG 3.44Å; F1698-Q1702 PolarHBondContact O-N 3.5Å; F1698-Q1702 VanDerWaalsContact O-N 3.13Å; F1698-Q1702 PolarHBondContact O-NE2 3.22Å |
| 1699 | S | 81 | Confident | 79.3 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -71 | -37.1 | 180 | 49.8 | 0 | 0 | 0 | 0 | 112.1 | L1695 A1696 Q1702 F1703 S1770 | L1695-S1699 WeakPolarHBondContact O-CB 3.35Å; L1695-S1699 PolarHBondContact O-N 2.75Å; L1695-S1699 PolarHBondContact O-OG 3.42Å; A1696-S1699 PolarHBondContact O-N 3.15Å; A1696-S1699 PolarHBondContact O-OG 2.76Å; S1699-Q1702 PolarHBondContact O-N 3.24Å; S1699-F1703 WeakPolarHBondContact O-CB 3.45Å; S1699-F1703 PolarHBondContact O-N 2.75Å; S1699-S1770 WeakPolarHBondContact OG-CA 3.42Å; S1699-S1770 VanDerWaalsContact OG-CB 3.28Å; S1699-S1770 WeakPolarHBondContact OG-CB 3.29Å; S1699-S1770 PolarHBondContact OG-N 3.48Å |
| 1700 | D | 84.5 | Confident | 79.7 | Confident | 10 Ų | 10 | 33.2 Ų | 33.2 | 5% | 0.053 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -64.4 | -37.9 | 172.5 | -170.8 | 7.3 | 0 | 0 | 0 | 112.1 | A1696 F1703 T1704 Y1774 R1790 | A1696-D1700 WeakPolarHBondContact O-CB 3.25Å; A1696-D1700 PolarHBondContact O-N 2.95Å; D1700-F1703 PolarHBondContact O-N 3.33Å; D1700-T1704 VanDerWaalsContact O-CB 3.22Å; D1700-T1704 WeakPolarHBondContact O-CB 3.45Å; D1700-T1704 PolarHBondContact O-N 3.26Å; D1700-T1704 PolarHBondContact O-OG1 3.24Å; D1700-T1704 PolarHBondContact OD1-OG1 3.49Å; D1700-Y1774 HydrophobicContact CB-CE2 4.16Å; D1700-Y1774 PolarHBondContact OD2-OH 3.04Å; D1700-R1790 IonicContact OD1-CZ 3.92Å; D1700-R1790 IonicContact OD1-NE 2.65Å; D1700-R1790 PolarHBondContact OD1-NE 3.03Å; D1700-R1790 IonicContact OD1-NH2 2.74Å; D1700-R1790 PolarHBondContact OD1-NH2 3.5Å; D1700-R1790 VanDerWaalsContact OD2-CG 3.27Å; D1700-R1790 WeakPolarHBondContact OD2-CG 3.38Å; D1700-R1790 IonicContact OD2-CZ 2.82Å; D1700-R1790 IonicContact OD2-NE 2.91Å; D1700-R1790 PolarHBondContact OD2-NE 3.48Å; D1700-R1790 IonicContact OD2-NH2 2.81Å; D1700-R1790 PolarHBondContact OD2-NH2 3.01Å |
| 1701 | A | 80 | Confident | 80.1 | Confident | 42 Ų | 42 | 35 Ų | 35 | 35% | 0.347 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -63.6 | -41.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | K1697 F1698 T1705 | K1697-A1701 VanDerWaalsContact O-CB 3.31Å; K1697-A1701 WeakPolarHBondContact O-CB 3.27Å; K1697-A1701 PolarHBondContact O-N 2.78Å; F1698-A1701 PolarHBondContact O-N 3.36Å; A1701-T1705 WeakPolarHBondContact O-CB 2.96Å; A1701-T1705 PolarHBondContact O-N 2.79Å; A1701-T1705 PolarHBondContact O-OG1 2.93Å |
| 1702 | Q | 81.1 | Confident | 80.7 | Confident | 17 Ų | 17 | 36.3 Ų | 36.3 | 8% | 0.079 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -66 | -47.7 | 174.8 | -59.7 | -29 | -70.5 | 0 | 0 | 111.2 | Y1658 A1665 F1698 S1699 T1704 T1705 L1706 F1766 | Y1658-Q1702 VanDerWaalsContact CE2-OE1 3.23Å; Y1658-Q1702 PolarHBondContact OH-NE2 2.91Å; Y1658-Q1702 PolarHBondContact OH-OE1 2.81Å; A1665-Q1702 HydrophobicContact CB-CG 3.84Å; F1698-Q1702 HydrophobicContact CE1-CG 4.42Å; F1698-Q1702 HydrophobicContact CZ-CG 4.28Å; F1698-Q1702 WeakPolarHBondContact O-CG 3.44Å; F1698-Q1702 PolarHBondContact O-N 3.5Å; F1698-Q1702 VanDerWaalsContact O-N 3.13Å; F1698-Q1702 PolarHBondContact O-NE2 3.22Å; S1699-Q1702 PolarHBondContact O-N 3.24Å; Q1702-T1704 PolarHBondContact O-N 2.83Å; Q1702-T1705 PolarHBondContact O-N 3.31Å; Q1702-L1706 WeakPolarHBondContact O-CB 3.4Å; Q1702-L1706 WeakPolarHBondContact O-CG 3.41Å; Q1702-L1706 PolarHBondContact O-N 3.49Å; Q1702-F1766 HydrophobicContact CB-CB 4.27Å; Q1702-F1766 HydrophobicContact CB-CD1 3.7Å; Q1702-F1766 HydrophobicContact CB-CD2 3.82Å; Q1702-F1766 HydrophobicContact CB-CE1 3.89Å; Q1702-F1766 HydrophobicContact CB-CE2 4.03Å; Q1702-F1766 HydrophobicContact CB-CG 3.67Å; Q1702-F1766 HydrophobicContact CB-CZ 4.07Å; Q1702-F1766 HydrophobicContact CG-CD1 3.97Å; Q1702-F1766 HydrophobicContact CG-CE1 3.73Å; Q1702-F1766 HydrophobicContact CG-CE2 4.45Å; Q1702-F1766 HydrophobicContact CG-CG 4.43Å; Q1702-F1766 HydrophobicContact CG-CZ 4.01Å |
| 1703 | F | 86.8 | Confident | 80.8 | Confident | 6 Ų | 6 | 40.6 Ų | 40.6 | 3% | 0.026 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -57.2 | -48.4 | 176.1 | 169.1 | -108.2 | 0 | 0 | 0 | 111.4 | S1699 D1700 T1705 L1706 N1707 A1763 F1766 L1767 L1794 | S1699-F1703 WeakPolarHBondContact O-CB 3.45Å; S1699-F1703 PolarHBondContact O-N 2.75Å; D1700-F1703 PolarHBondContact O-N 3.33Å; F1703-T1705 VanDerWaalsContact C-N 3.31Å; F1703-T1705 PolarHBondContact O-N 3.12Å; F1703-L1706 PolarHBondContact O-N 2.88Å; F1703-N1707 HydrophobicContact CD2-CB 4.22Å; F1703-N1707 HydrophobicContact CE1-CB 4.39Å; F1703-N1707 HydrophobicContact CE2-CB 3.8Å; F1703-N1707 HydrophobicContact CZ-CB 3.9Å; F1703-N1707 WeakPolarHBondContact O-CB 3.42Å; F1703-N1707 PolarHBondContact O-N 3.07Å; F1703-A1763 WeakPolarHBondContact CD2-O 3.38Å; F1703-F1766 HydrophobicContact CB-CB 4.08Å; F1703-L1767 HydrophobicContact CD1-CD1 3.93Å; F1703-L1767 HydrophobicContact CD2-CB 3.74Å; F1703-L1767 HydrophobicContact CD2-CD1 4.35Å; F1703-L1767 HydrophobicContact CD2-CG 4.42Å; F1703-L1767 HydrophobicContact CE1-CD1 3.83Å; F1703-L1767 HydrophobicContact CE2-CB 3.99Å; F1703-L1767 HydrophobicContact CE2-CD1 4.24Å; F1703-L1767 HydrophobicContact CE2-CD2 3.93Å; F1703-L1767 HydrophobicContact CE2-CG 4.27Å; F1703-L1767 HydrophobicContact CG-CB 4.11Å; F1703-L1767 HydrophobicContact CG-CD1 4.19Å; F1703-L1767 HydrophobicContact CZ-CD1 3.98Å; F1703-L1767 HydrophobicContact CZ-CD2 4.02Å; F1703-L1767 HydrophobicContact CZ-CG 4.42Å; F1703-L1794 HydrophobicContact CD1-CD2 3.76Å; F1703-L1794 HydrophobicContact CE1-CD2 3.67Å |
| 1704 | T | 83.5 | Confident | 80.8 | Confident | 60 Ų | 60 | 46.1 Ų | 46.1 | 37% | 0.368 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -61.8 | -41 | -179.9 | -62.1 | 0 | 0 | 0 | 0 | 111.2 | D1700 Q1702 S1708 R1790 | D1700-T1704 VanDerWaalsContact O-CB 3.22Å; D1700-T1704 WeakPolarHBondContact O-CB 3.45Å; D1700-T1704 PolarHBondContact O-N 3.26Å; D1700-T1704 PolarHBondContact O-OG1 3.24Å; D1700-T1704 PolarHBondContact OD1-OG1 3.49Å; Q1702-T1704 PolarHBondContact O-N 2.83Å; T1704-S1708 VanDerWaalsContact O-CB 3.3Å; T1704-S1708 WeakPolarHBondContact O-CB 3.37Å; T1704-S1708 PolarHBondContact O-N 3.19Å; T1704-R1790 PolarHBondContact OG1-NH2 3.35Å |
| 1705 | T | 82.5 | Confident | 81.4 | Confident | 78 Ų | 78 | 45 Ų | 45 | 48% | 0.479 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -65.3 | -52.8 | 177.6 | -54.7 | 0 | 0 | 0 | 0 | 110.9 | A1701 Q1702 F1703 N1707 S1708 Y1709 | A1701-T1705 WeakPolarHBondContact O-CB 2.96Å; A1701-T1705 PolarHBondContact O-N 2.79Å; A1701-T1705 PolarHBondContact O-OG1 2.93Å; Q1702-T1705 PolarHBondContact O-N 3.31Å; F1703-T1705 VanDerWaalsContact C-N 3.31Å; F1703-T1705 PolarHBondContact O-N 3.12Å; T1705-N1707 PolarHBondContact O-N 3.19Å; T1705-S1708 PolarHBondContact O-N 2.84Å; T1705-S1708 PolarHBondContact O-OG 3.35Å; T1705-Y1709 PolarHBondContact O-N 3.21Å |
| 1706 | L | 83 | Confident | 81.7 | Confident | 42 Ų | 42 | 46 Ų | 46 | 22% | 0.22 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -61.3 | -45.6 | 178.5 | -72 | 170.1 | 0 | 0 | 0 | 111.7 | Q1702 F1703 S1708 Y1709 L1710 L1759 D1762 A1763 F1766 | Q1702-L1706 WeakPolarHBondContact O-CB 3.4Å; Q1702-L1706 WeakPolarHBondContact O-CG 3.41Å; Q1702-L1706 PolarHBondContact O-N 3.49Å; F1703-L1706 PolarHBondContact O-N 2.88Å; L1706-S1708 VanDerWaalsContact C-N 3.3Å; L1706-S1708 PolarHBondContact O-N 3.36Å; L1706-Y1709 CarbonylContact O-C 3.59Å; L1706-Y1709 WeakPolarHBondContact O-CA 3.15Å; L1706-Y1709 WeakPolarHBondContact O-CB 3.47Å; L1706-Y1709 PolarHBondContact O-N 2.79Å; L1706-L1710 WeakPolarHBondContact O-CG 3.33Å; L1706-L1710 PolarHBondContact O-N 2.94Å; L1706-L1759 HydrophobicContact CD2-CD2 4.34Å; L1706-D1762 HydrophobicContact CD1-CB 4.49Å; L1706-A1763 HydrophobicContact CB-CB 4.01Å; L1706-A1763 HydrophobicContact CD1-CB 4.14Å; L1706-F1766 HydrophobicContact CD1-CD2 3.71Å; L1706-F1766 HydrophobicContact CD1-CE2 3.96Å |
| 1707 | N | 83.7 | Confident | 81.6 | Confident | 38 Ų | 38 | 49.2 Ų | 49.2 | 20% | 0.203 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -67.9 | -29.1 | 179.9 | -164.4 | 74.3 | 0 | 0 | 0 | 112.1 | F1703 T1705 Y1709 L1710 T1711 R1806 | F1703-N1707 HydrophobicContact CD2-CB 4.22Å; F1703-N1707 HydrophobicContact CE1-CB 4.39Å; F1703-N1707 HydrophobicContact CE2-CB 3.8Å; F1703-N1707 HydrophobicContact CZ-CB 3.9Å; F1703-N1707 WeakPolarHBondContact O-CB 3.42Å; F1703-N1707 PolarHBondContact O-N 3.07Å; T1705-N1707 PolarHBondContact O-N 3.19Å; N1707-Y1709 VanDerWaalsContact C-N 3.33Å; N1707-L1710 PolarHBondContact O-N 3.35Å; N1707-T1711 WeakPolarHBondContact O-CB 3.44Å; N1707-T1711 WeakPolarHBondContact O-CG2 3.31Å; N1707-T1711 PolarHBondContact O-N 3.4Å; N1707-T1711 PolarHBondContact O-OG1 3.49Å; N1707-R1806 PolarHBondContact OD1-NH1 3.24Å |
| 1708 | S | 81.7 | Confident | 81.8 | Confident | 73 Ų | 73 | 46.7 Ų | 46.7 | 51% | 0.51 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -65.1 | -36.7 | 169.4 | 80.3 | 0 | 0 | 0 | 0 | 112.1 | T1704 T1705 L1706 T1711 S1712 | T1704-S1708 VanDerWaalsContact O-CB 3.3Å; T1704-S1708 WeakPolarHBondContact O-CB 3.37Å; T1704-S1708 PolarHBondContact O-N 3.19Å; T1705-S1708 PolarHBondContact O-N 2.84Å; T1705-S1708 PolarHBondContact O-OG 3.35Å; L1706-S1708 VanDerWaalsContact C-N 3.3Å; L1706-S1708 PolarHBondContact O-N 3.36Å; S1708-T1711 PolarHBondContact O-OG1 2.83Å; S1708-S1712 PolarHBondContact O-N 2.84Å |
| 1709 | Y | 83.1 | Confident | 82.1 | Confident | 70 Ų | 70 | 50.4 Ų | 50.4 | 28% | 0.275 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -69.5 | -49 | 171.3 | -178.6 | -109 | 0 | 0 | 0 | 112.1 | T1705 L1706 N1707 T1711 S1712 F1715 | T1705-Y1709 PolarHBondContact O-N 3.21Å; L1706-Y1709 CarbonylContact O-C 3.59Å; L1706-Y1709 WeakPolarHBondContact O-CA 3.15Å; L1706-Y1709 WeakPolarHBondContact O-CB 3.47Å; L1706-Y1709 PolarHBondContact O-N 2.79Å; N1707-Y1709 VanDerWaalsContact C-N 3.33Å; Y1709-T1711 PolarHBondContact O-N 2.81Å; Y1709-T1711 VanDerWaalsContact O-N 3.12Å; Y1709-S1712 VanDerWaalsContact O-CB 3.23Å; Y1709-S1712 WeakPolarHBondContact O-CB 3.37Å; Y1709-S1712 PolarHBondContact O-N 3.12Å; Y1709-S1712 PolarHBondContact O-OG 3Å; Y1709-F1715 HydrophobicContact CD1-CD2 4.17Å; Y1709-F1715 AromaticContact CE1-CD2 3.85Å; Y1709-F1715 HydrophobicContact CE1-CD2 3.85Å; Y1709-F1715 WeakPolarHBondContact O-CB 3.43Å |
| 1710 | L | 83.4 | Confident | 82.2 | Confident | 12 Ų | 12 | 55.1 Ų | 55.1 | 6% | 0.063 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -58.9 | -24.3 | 177.5 | -64.5 | 176.5 | 0 | 0 | 0 | 113.8 | L1706 N1707 F1715 T1760 A1763 | L1706-L1710 WeakPolarHBondContact O-CG 3.33Å; L1706-L1710 PolarHBondContact O-N 2.94Å; N1707-L1710 PolarHBondContact O-N 3.35Å; L1710-F1715 HydrophobicContact CD2-CD2 3.84Å; L1710-F1715 HydrophobicContact CD2-CE1 4.28Å; L1710-F1715 HydrophobicContact CD2-CE2 3.31Å; L1710-F1715 HydrophobicContact CD2-CZ 3.57Å; L1710-F1715 VanDerWaalsContact O-CD1 3.24Å; L1710-F1715 WeakPolarHBondContact O-CD1 3.41Å; L1710-T1760 HydrophobicContact CD1-CG2 4.34Å; L1710-T1760 HydrophobicContact CD2-CG2 4.03Å; L1710-A1763 HydrophobicContact CD1-CB 3.85Å |
| 1711 | T | 77.3 | Confident | 82.1 | Confident | 100 Ų | 100 | 61.6 Ų | 61.6 | 61% | 0.613 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.8 | -4.1 | 176 | 54.2 | 0 | 0 | 0 | 0 | 113.9 | N1707 S1708 Y1709 | N1707-T1711 WeakPolarHBondContact O-CB 3.44Å; N1707-T1711 WeakPolarHBondContact O-CG2 3.31Å; N1707-T1711 PolarHBondContact O-N 3.4Å; N1707-T1711 PolarHBondContact O-OG1 3.49Å; S1708-T1711 PolarHBondContact O-OG1 2.83Å; Y1709-T1711 PolarHBondContact O-N 2.81Å; Y1709-T1711 VanDerWaalsContact O-N 3.12Å |
| 1712 | S | 81.1 | Confident | 82.3 | Confident | 33 Ų | 33 | 60.2 Ų | 60.2 | 23% | 0.231 | 33% | 0.332 | C | S | . | . | S | Bend | trans | -70.4 | 157.7 | -179.3 | 74 | 0 | 0 | 0 | 0 | 113.2 | S1708 Y1709 E1714 F1715 A1716 | S1708-S1712 PolarHBondContact O-N 2.84Å; Y1709-S1712 VanDerWaalsContact O-CB 3.23Å; Y1709-S1712 WeakPolarHBondContact O-CB 3.37Å; Y1709-S1712 PolarHBondContact O-N 3.12Å; Y1709-S1712 PolarHBondContact O-OG 3Å; S1712-E1714 PolarHBondContact O-N 3.32Å; S1712-E1714 PolarHBondContact OG-N 2.9Å; S1712-F1715 PolarHBondContact O-N 2.84Å; S1712-F1715 PolarHBondContact OG-N 3.05Å; S1712-A1716 PolarHBondContact O-N 3.08Å; S1712-A1716 VanDerWaalsContact O-N 3.08Å |
| 1713 | S | 79.3 | Confident | 82.4 | Confident | 101 Ų | 101 | 62 Ų | 62 | 71% | 0.706 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -61.9 | -29.3 | 168.7 | 51.7 | 0 | 0 | 0 | 0 | 112.6 | A1716 T1717 | S1713-A1716 PolarHBondContact O-N 3.28Å; S1713-T1717 PolarHBondContact O-N 3.15Å; S1713-T1717 PolarHBondContact O-OG1 2.87Å |
| 1714 | E | 78.6 | Confident | 82.2 | Confident | 125 Ų | 125 | 67.1 Ų | 67.1 | 58% | 0.584 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -69.9 | -45.4 | -179.8 | -168.7 | 173.4 | -119.9 | 0 | 0 | 111.3 | S1712 T1717 R1718 | S1712-E1714 PolarHBondContact O-N 3.32Å; S1712-E1714 PolarHBondContact OG-N 2.9Å; E1714-T1717 WeakPolarHBondContact CA-OG1 3.23Å; E1714-T1717 PolarHBondContact O-N 3.45Å; E1714-T1717 PolarHBondContact O-OG1 3.31Å; E1714-R1718 PolarHBondContact O-N 2.9Å |
| 1715 | F | 84 | Confident | 82.1 | Confident | 4 Ų | 4 | 65 Ų | 65 | 2% | 0.018 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -62.5 | -41.5 | 170.5 | -176.3 | -88.5 | 0 | 0 | 0 | 111.7 | Y1709 L1710 S1712 T1717 R1718 Q1719 L1756 | Y1709-F1715 HydrophobicContact CD1-CD2 4.17Å; Y1709-F1715 AromaticContact CE1-CD2 3.85Å; Y1709-F1715 HydrophobicContact CE1-CD2 3.85Å; Y1709-F1715 WeakPolarHBondContact O-CB 3.43Å; L1710-F1715 HydrophobicContact CD2-CD2 3.84Å; L1710-F1715 HydrophobicContact CD2-CE1 4.28Å; L1710-F1715 HydrophobicContact CD2-CE2 3.31Å; L1710-F1715 HydrophobicContact CD2-CZ 3.57Å; L1710-F1715 VanDerWaalsContact O-CD1 3.24Å; L1710-F1715 WeakPolarHBondContact O-CD1 3.41Å; S1712-F1715 PolarHBondContact O-N 2.84Å; S1712-F1715 PolarHBondContact OG-N 3.05Å; F1715-T1717 VanDerWaalsContact C-N 3.33Å; F1715-T1717 PolarHBondContact O-N 3.49Å; F1715-R1718 PolarHBondContact O-N 3.42Å; F1715-Q1719 HydrophobicContact CE1-CB 4.48Å; F1715-Q1719 WeakPolarHBondContact O-CB 3.37Å; F1715-Q1719 PolarHBondContact O-N 2.94Å; F1715-L1756 HydrophobicContact CD2-CD2 4.15Å; F1715-L1756 HydrophobicContact CE2-CD2 3.4Å; F1715-L1756 VanDerWaalsContact CE2-CD2 3.4Å; F1715-L1756 HydrophobicContact CZ-CD2 3.94Å |
| 1716 | A | 81.6 | Confident | 82.2 | Confident | 40 Ų | 40 | 65 Ų | 65 | 33% | 0.331 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -61 | -39.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | S1712 S1713 N1720 | S1712-A1716 PolarHBondContact O-N 3.08Å; S1712-A1716 VanDerWaalsContact O-N 3.08Å; S1713-A1716 PolarHBondContact O-N 3.28Å; A1716-N1720 WeakPolarHBondContact O-CB 3.38Å; A1716-N1720 PolarHBondContact O-N 2.82Å; A1716-N1720 PolarHBondContact O-ND2 2.87Å |
| 1717 | T | 82.1 | Confident | 82.2 | Confident | 67 Ų | 67 | 69 Ų | 69 | 41% | 0.411 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -67.3 | -40.4 | 172.3 | 50 | 0 | 0 | 0 | 0 | 112.6 | S1713 E1714 F1715 Q1719 N1720 F1721 | S1713-T1717 PolarHBondContact O-N 3.15Å; S1713-T1717 PolarHBondContact O-OG1 2.87Å; E1714-T1717 WeakPolarHBondContact CA-OG1 3.23Å; E1714-T1717 PolarHBondContact O-N 3.45Å; E1714-T1717 PolarHBondContact O-OG1 3.31Å; F1715-T1717 VanDerWaalsContact C-N 3.33Å; F1715-T1717 PolarHBondContact O-N 3.49Å; T1717-Q1719 PolarHBondContact O-N 2.88Å; T1717-N1720 PolarHBondContact O-N 3.32Å; T1717-F1721 WeakPolarHBondContact O-CD2 3.39Å; T1717-F1721 WeakPolarHBondContact O-CG 3.32Å; T1717-F1721 PolarHBondContact O-N 3.39Å |
| 1718 | R | 83.8 | Confident | 82.1 | Confident | 55 Ų | 55 | 70.8 Ų | 70.8 | 21% | 0.208 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -61.1 | -43.5 | 175.7 | -166.4 | 173.2 | -172.8 | -167.4 | -3.2 | 111.7 | E1714 F1715 F1721 L1722 E1755 | E1714-R1718 PolarHBondContact O-N 2.9Å; F1715-R1718 PolarHBondContact O-N 3.42Å; R1718-F1721 PolarHBondContact O-N 3.15Å; R1718-L1722 PolarHBondContact O-N 2.91Å; R1718-E1755 IonicContact CZ-OE1 2.74Å; R1718-E1755 VanDerWaalsContact CZ-OE1 3.25Å; R1718-E1755 IonicContact CZ-OE2 3.78Å; R1718-E1755 IonicContact NH1-OE1 3.58Å; R1718-E1755 PolarHBondContact NH1-OE1 3.34Å; R1718-E1755 IonicContact NH1-OE2 3.09Å; R1718-E1755 IonicContact NH2-OE1 3.46Å; R1718-E1755 PolarHBondContact NH2-OE1 2.97Å; R1718-E1755 IonicContact NH2-OE2 3.54Å; R1718-E1755 PolarHBondContact NH2-OE2 3.14Å |
| 1719 | Q | 81.6 | Confident | 82 | Confident | 85 Ų | 85 | 68.2 Ų | 68.2 | 40% | 0.397 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -66.7 | -40.2 | 176.4 | -163.1 | 170.9 | 39.5 | 0 | 0 | 111.8 | F1715 T1717 L1722 T1723 | F1715-Q1719 HydrophobicContact CE1-CB 4.48Å; F1715-Q1719 WeakPolarHBondContact O-CB 3.37Å; F1715-Q1719 PolarHBondContact O-N 2.94Å; T1717-Q1719 PolarHBondContact O-N 2.88Å; Q1719-L1722 PolarHBondContact O-N 3.38Å; Q1719-T1723 WeakPolarHBondContact O-CG2 3.47Å; Q1719-T1723 PolarHBondContact O-N 3.2Å |
| 1720 | N | 83 | Confident | 81.9 | Confident | 100 Ų | 100 | 69.4 Ų | 69.4 | 54% | 0.535 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -60.7 | -49.5 | 172.4 | -75.7 | -17.6 | 0 | 0 | 0 | 111.6 | A1716 T1717 L1722 T1723 Q1724 | A1716-N1720 WeakPolarHBondContact O-CB 3.38Å; A1716-N1720 PolarHBondContact O-N 2.82Å; A1716-N1720 PolarHBondContact O-ND2 2.87Å; T1717-N1720 PolarHBondContact O-N 3.32Å; N1720-L1722 VanDerWaalsContact C-N 3.25Å; N1720-L1722 PolarHBondContact O-N 3.13Å; N1720-T1723 PolarHBondContact O-N 3.4Å; N1720-T1723 VanDerWaalsContact O-N 3.13Å; N1720-T1723 PolarHBondContact O-OG1 2.73Å; N1720-Q1724 PolarHBondContact O-N 3.47Å |
| 1721 | F | 82.4 | Confident | 81.7 | Confident | 146 Ų | 146 | 72.7 Ų | 72.7 | 64% | 0.64 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -57.3 | -37.9 | 176.1 | -72.6 | -53.4 | 0 | 0 | 0 | 112.2 | T1717 R1718 Q1724 A1725 | T1717-F1721 WeakPolarHBondContact O-CD2 3.39Å; T1717-F1721 WeakPolarHBondContact O-CG 3.32Å; T1717-F1721 PolarHBondContact O-N 3.39Å; R1718-F1721 PolarHBondContact O-N 3.15Å; F1721-Q1724 VanDerWaalsContact O-CB 3.31Å; F1721-Q1724 WeakPolarHBondContact O-CB 3.5Å; F1721-Q1724 PolarHBondContact O-N 2.66Å; F1721-A1725 WeakPolarHBondContact O-CB 3.45Å; F1721-A1725 PolarHBondContact O-N 3.12Å |
| 1722 | L | 84.9 | Confident | 81.5 | Confident | 13 Ų | 13 | 69.7 Ų | 69.7 | 7% | 0.068 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -66.4 | -42.7 | 175.7 | -168.6 | 120.7 | 0 | 0 | 0 | 112.5 | R1718 Q1719 N1720 Q1724 A1725 Q1726 E1752 I1753 L1756 | R1718-L1722 PolarHBondContact O-N 2.91Å; Q1719-L1722 PolarHBondContact O-N 3.38Å; N1720-L1722 VanDerWaalsContact C-N 3.25Å; N1720-L1722 PolarHBondContact O-N 3.13Å; L1722-Q1724 VanDerWaalsContact C-N 3.25Å; L1722-Q1724 PolarHBondContact O-N 2.74Å; L1722-A1725 PolarHBondContact O-N 3.36Å; L1722-Q1726 HydrophobicContact CD2-CG 4.46Å; L1722-Q1726 WeakPolarHBondContact O-CB 3.28Å; L1722-Q1726 WeakPolarHBondContact O-CG 3.3Å; L1722-Q1726 PolarHBondContact O-N 3.07Å; L1722-E1752 HydrophobicContact CD1-CB 3.34Å; L1722-I1753 HydrophobicContact CD1-CG1 4.15Å; L1722-I1753 HydrophobicContact CD2-CG1 3.87Å; L1722-L1756 HydrophobicContact CD1-CD1 3.99Å |
| 1723 | T | 83.7 | Confident | 81.1 | Confident | 55 Ų | 55 | 70.6 Ų | 70.6 | 34% | 0.337 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -67.4 | -26.6 | 173.9 | 65.8 | 0 | 0 | 0 | 0 | 113 | Q1719 N1720 K1727 | Q1719-T1723 WeakPolarHBondContact O-CG2 3.47Å; Q1719-T1723 PolarHBondContact O-N 3.2Å; N1720-T1723 PolarHBondContact O-N 3.4Å; N1720-T1723 VanDerWaalsContact O-N 3.13Å; N1720-T1723 PolarHBondContact O-OG1 2.73Å; T1723-K1727 VanDerWaalsContact O-CG 3.32Å; T1723-K1727 WeakPolarHBondContact O-CG 3.12Å; T1723-K1727 PolarHBondContact O-N 3.25Å |
| 1724 | Q | 81.7 | Confident | 80.8 | Confident | 112 Ų | 112 | 72 Ų | 72 | 52% | 0.523 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -67.1 | -53.5 | 170.7 | -157.2 | 87.7 | 13.1 | 0 | 0 | 109.7 | N1720 F1721 L1722 Q1726 K1727 D1728 | N1720-Q1724 PolarHBondContact O-N 3.47Å; F1721-Q1724 VanDerWaalsContact O-CB 3.31Å; F1721-Q1724 WeakPolarHBondContact O-CB 3.5Å; F1721-Q1724 PolarHBondContact O-N 2.66Å; L1722-Q1724 VanDerWaalsContact C-N 3.25Å; L1722-Q1724 PolarHBondContact O-N 2.74Å; Q1724-Q1726 VanDerWaalsContact C-N 3.31Å; Q1724-Q1726 PolarHBondContact O-N 3.27Å; Q1724-K1727 WeakPolarHBondContact O-CB 3.47Å; Q1724-K1727 PolarHBondContact O-N 2.89Å; Q1724-D1728 VanDerWaalsContact O-CG 3.29Å; Q1724-D1728 PolarHBondContact O-N 2.8Å |
| 1725 | A | 81.7 | Confident | 80.2 | Confident | 17 Ų | 17 | 71.8 Ų | 71.8 | 14% | 0.14 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -61.2 | -35.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | F1721 L1722 D1728 V1729 | F1721-A1725 WeakPolarHBondContact O-CB 3.45Å; F1721-A1725 PolarHBondContact O-N 3.12Å; L1722-A1725 PolarHBondContact O-N 3.36Å; A1725-D1728 PolarHBondContact O-N 3.42Å; A1725-V1729 WeakPolarHBondContact O-CB 2.96Å; A1725-V1729 VanDerWaalsContact O-CG2 3.29Å; A1725-V1729 WeakPolarHBondContact O-CG2 3.45Å; A1725-V1729 PolarHBondContact O-N 3.12Å |
| 1726 | Q | 84.5 | Confident | 79 | Confident | 76 Ų | 76 | 74.3 Ų | 74.3 | 36% | 0.355 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -64 | -42.1 | 171.9 | -77.9 | -178.6 | -26.5 | 0 | 0 | 112.4 | L1722 Q1724 V1729 I1730 | L1722-Q1726 HydrophobicContact CD2-CG 4.46Å; L1722-Q1726 WeakPolarHBondContact O-CB 3.28Å; L1722-Q1726 WeakPolarHBondContact O-CG 3.3Å; L1722-Q1726 PolarHBondContact O-N 3.07Å; Q1724-Q1726 VanDerWaalsContact C-N 3.31Å; Q1724-Q1726 PolarHBondContact O-N 3.27Å; Q1726-V1729 PolarHBondContact O-N 2.97Å; Q1726-I1730 VanDerWaalsContact O-CG1 3.31Å; Q1726-I1730 WeakPolarHBondContact O-CG1 3.42Å; Q1726-I1730 PolarHBondContact O-N 3.47Å |
| 1727 | K | 83.2 | Confident | 77.5 | Confident | 127 Ų | 127 | 77.8 Ų | 77.8 | 55% | 0.552 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -64.2 | -43.3 | 174.1 | -73.4 | 168.6 | -178.4 | 173.1 | 0 | 111.3 | T1723 Q1724 V1729 I1730 V1731 | T1723-K1727 VanDerWaalsContact O-CG 3.32Å; T1723-K1727 WeakPolarHBondContact O-CG 3.12Å; T1723-K1727 PolarHBondContact O-N 3.25Å; Q1724-K1727 WeakPolarHBondContact O-CB 3.47Å; Q1724-K1727 PolarHBondContact O-N 2.89Å; K1727-V1729 VanDerWaalsContact C-N 3.31Å; K1727-V1729 PolarHBondContact O-N 2.75Å; K1727-I1730 PolarHBondContact O-N 3.16Å; K1727-V1731 WeakPolarHBondContact O-CG2 3.4Å; K1727-V1731 PolarHBondContact O-N 2.87Å |
| 1728 | D | 81.1 | Confident | 76.3 | Confident | 76 Ų | 76 | 83.9 Ų | 83.9 | 41% | 0.406 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -62.5 | -39.3 | 177.1 | -62 | -24.7 | 0 | 0 | 0 | 111.1 | Q1724 A1725 L1732 | Q1724-D1728 VanDerWaalsContact O-CG 3.29Å; Q1724-D1728 PolarHBondContact O-N 2.8Å; A1725-D1728 PolarHBondContact O-N 3.42Å; D1728-L1732 VanDerWaalsContact O-CB 3.24Å; D1728-L1732 WeakPolarHBondContact O-CB 3.22Å; D1728-L1732 WeakPolarHBondContact O-CD1 3.44Å; D1728-L1732 WeakPolarHBondContact O-CG 3.37Å; D1728-L1732 PolarHBondContact O-N 3.45Å |
| 1729 | V | 80.8 | Confident | 75.3 | Confident | 18 Ų | 18 | 82.5 Ų | 82.5 | 11% | 0.109 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -62.1 | -43.9 | 172.3 | 161.1 | 0 | 0 | 0 | 0 | 112.2 | A1725 Q1726 K1727 S1733 L1742 L1745 Q1746 | A1725-V1729 WeakPolarHBondContact O-CB 2.96Å; A1725-V1729 VanDerWaalsContact O-CG2 3.29Å; A1725-V1729 WeakPolarHBondContact O-CG2 3.45Å; A1725-V1729 PolarHBondContact O-N 3.12Å; Q1726-V1729 PolarHBondContact O-N 2.97Å; K1727-V1729 VanDerWaalsContact C-N 3.31Å; K1727-V1729 PolarHBondContact O-N 2.75Å; V1729-S1733 VanDerWaalsContact O-CB 3.3Å; V1729-S1733 WeakPolarHBondContact O-CB 3.22Å; V1729-S1733 PolarHBondContact O-N 3.01Å; V1729-S1733 PolarHBondContact O-OG 3.13Å; V1729-L1742 HydrophobicContact CG1-CD1 4.48Å; V1729-L1745 HydrophobicContact CG2-CB 3.76Å; V1729-Q1746 HydrophobicContact CB-CG 4.44Å; V1729-Q1746 HydrophobicContact CG1-CG 3.54Å; V1729-Q1746 HydrophobicContact CG2-CG 3.97Å |
| 1730 | I | 80.3 | Confident | 74.9 | Confident | 95 Ų | 95 | 88.5 Ų | 88.5 | 49% | 0.487 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -62 | -54.2 | 177.3 | -68.8 | 162.2 | 0 | 0 | 0 | 109.6 | Q1726 K1727 L1732 S1733 D1734 | Q1726-I1730 VanDerWaalsContact O-CG1 3.31Å; Q1726-I1730 WeakPolarHBondContact O-CG1 3.42Å; Q1726-I1730 PolarHBondContact O-N 3.47Å; K1727-I1730 PolarHBondContact O-N 3.16Å; I1730-L1732 PolarHBondContact O-N 3.02Å; I1730-S1733 WeakPolarHBondContact O-CA 3.41Å; I1730-S1733 PolarHBondContact O-N 2.84Å; I1730-S1733 PolarHBondContact O-OG 3.42Å; I1730-D1734 PolarHBondContact O-N 3.45Å |
| 1731 | V | 79.5 | Confident | 74.4 | Confident | 82 Ų | 82 | 88.9 Ų | 88.9 | 50% | 0.497 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -58 | -44.5 | -179.8 | 171.9 | 0 | 0 | 0 | 0 | 112 | K1727 S1733 D1734 L1735 | K1727-V1731 WeakPolarHBondContact O-CG2 3.4Å; K1727-V1731 PolarHBondContact O-N 2.87Å; V1731-S1733 VanDerWaalsContact C-N 3.28Å; V1731-S1733 PolarHBondContact O-N 3.46Å; V1731-D1734 PolarHBondContact O-N 2.97Å; V1731-L1735 HydrophobicContact CG1-CD1 4.09Å; V1731-L1735 WeakPolarHBondContact O-CD1 3.47Å; V1731-L1735 VanDerWaalsContact O-CG 3.26Å; V1731-L1735 WeakPolarHBondContact O-CG 3.32Å; V1731-L1735 PolarHBondContact O-N 2.84Å; V1731-L1735 VanDerWaalsContact O-N 3.11Å |
| 1732 | L | 72.2 | Confident | 74.2 | Confident | 36 Ų | 36 | 82.9 Ų | 82.9 | 19% | 0.188 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -68.6 | -25.5 | 176.6 | -70.9 | 170 | 0 | 0 | 0 | 113 | D1728 I1730 L1742 L1745 | D1728-L1732 VanDerWaalsContact O-CB 3.24Å; D1728-L1732 WeakPolarHBondContact O-CB 3.22Å; D1728-L1732 WeakPolarHBondContact O-CD1 3.44Å; D1728-L1732 WeakPolarHBondContact O-CG 3.37Å; D1728-L1732 PolarHBondContact O-N 3.45Å; I1730-L1732 PolarHBondContact O-N 3.02Å; L1732-L1742 HydrophobicContact CB-CD1 3.7Å; L1732-L1745 HydrophobicContact CD1-CD1 3.76Å |
| 1733 | S | 73.9 | Confident | 73.9 | Confident | 53 Ų | 53 | 90.2 Ų | 90.2 | 37% | 0.371 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -78.7 | -38.7 | 174.3 | 73.5 | 0 | 0 | 0 | 0 | 112.7 | V1729 I1730 V1731 L1735 G1736 | V1729-S1733 VanDerWaalsContact O-CB 3.3Å; V1729-S1733 WeakPolarHBondContact O-CB 3.22Å; V1729-S1733 PolarHBondContact O-N 3.01Å; V1729-S1733 PolarHBondContact O-OG 3.13Å; I1730-S1733 WeakPolarHBondContact O-CA 3.41Å; I1730-S1733 PolarHBondContact O-N 2.84Å; I1730-S1733 PolarHBondContact O-OG 3.42Å; V1731-S1733 VanDerWaalsContact C-N 3.28Å; V1731-S1733 PolarHBondContact O-N 3.46Å; S1733-L1735 VanDerWaalsContact C-N 3.29Å; S1733-L1735 PolarHBondContact O-N 2.88Å; S1733-G1736 PolarHBondContact O-N 3.4Å |
| 1734 | D | 72.1 | Confident | 73.9 | Confident | 130 Ų | 130 | 91.6 Ų | 91.6 | 70% | 0.695 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -66.5 | -31.3 | 175.6 | -67.9 | -29.8 | 0 | 0 | 0 | 111.9 | I1730 V1731 G1736 | I1730-D1734 PolarHBondContact O-N 3.45Å; V1731-D1734 PolarHBondContact O-N 2.97Å; D1734-G1736 PolarHBondContact O-N 3.27Å |
| 1735 | L | 66.8 | Low | 73.8 | Confident | 121 Ų | 121 | 88.3 Ų | 88.3 | 63% | 0.634 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.5 | -6.3 | 172.2 | -72.8 | 167.8 | 0 | 0 | 0 | 114 | V1731 S1733 E1737 | V1731-L1735 HydrophobicContact CG1-CD1 4.09Å; V1731-L1735 WeakPolarHBondContact O-CD1 3.47Å; V1731-L1735 VanDerWaalsContact O-CG 3.26Å; V1731-L1735 WeakPolarHBondContact O-CG 3.32Å; V1731-L1735 PolarHBondContact O-N 2.84Å; V1731-L1735 VanDerWaalsContact O-N 3.11Å; S1733-L1735 VanDerWaalsContact C-N 3.29Å; S1733-L1735 PolarHBondContact O-N 2.88Å; L1735-E1737 PolarHBondContact O-N 3.35Å |
| 1736 | G | 58.3 | Low | 73.9 | Confident | 57 Ų | 57 | 91.2 Ų | 91.2 | 59% | 0.588 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73 | 3.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | S1733 D1734 K1738 | S1733-G1736 PolarHBondContact O-N 3.4Å; D1734-G1736 PolarHBondContact O-N 3.27Å; G1736-K1738 PolarHBondContact O-N 3.34Å |
| 1737 | E | 51 | Low | 74 | Confident | 113 Ų | 113 | 96.3 Ų | 96.3 | 53% | 0.528 | 47% | 0.471 | S | S | . | . | trans | -71.1 | 110.7 | -179.6 | -76.8 | -152.8 | 164.8 | 0 | 0 | 112.4 | L1735 S1739 L1742 | L1735-E1737 PolarHBondContact O-N 3.35Å; E1737-S1739 PolarHBondContact O-N 2.98Å; E1737-L1742 WeakPolarHBondContact O-CD2 3.5Å | ||
| 1738 | K | 55.6 | Low | 74 | Confident | 194 Ų | 194 | 95.2 Ų | 95.2 | 84% | 0.843 | 47% | 0.468 | S | S | * | . | trans | -73.4 | 33.7 | 168.6 | -65.2 | -176.1 | 178.7 | 177.1 | 0 | 113.2 | G1736 | G1736-K1738 PolarHBondContact O-N 3.34Š| ||
| 1739 | S | 63.4 | Low | 74.2 | Confident | 27 Ų | 27 | 92.1 Ų | 92.1 | 19% | 0.189 | 45% | 0.453 | C | S | . | . | trans | -64 | 157.2 | -172 | 75.2 | 0 | 0 | 0 | 0 | 112.2 | E1737 L1741 L1742 | E1737-S1739 PolarHBondContact O-N 2.98Å; S1739-L1741 PolarHBondContact O-N 3.46Å; S1739-L1742 PolarHBondContact OG-N 3.44Å; S1739-L1742 VanDerWaalsContact OG-N 3.15Å | ||
| 1740 | R | 72.7 | Confident | 74.4 | Confident | 211 Ų | 211 | 93.3 Ų | 93.3 | 80% | 0.796 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -65.5 | -26.6 | 171.9 | -176.6 | 176.3 | 174.4 | -177.5 | -2.1 | 111.3 | L1744 | R1740-L1744 PolarHBondContact O-N 3.35Å |
| 1741 | L | 71.8 | Confident | 74.8 | Confident | 108 Ų | 108 | 93.6 Ų | 93.6 | 57% | 0.565 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -69.2 | -48 | 179.5 | -163.8 | 75.6 | 0 | 0 | 0 | 111.4 | S1739 R1743 L1744 L1745 | S1739-L1741 PolarHBondContact O-N 3.46Å; L1741-R1743 VanDerWaalsContact C-N 3.32Å; L1741-R1743 PolarHBondContact O-N 3.03Å; L1741-L1744 WeakPolarHBondContact O-CB 3.47Å; L1741-L1744 PolarHBondContact O-N 3.06Å; L1741-L1745 HydrophobicContact CD2-CD1 4.42Å; L1741-L1745 HydrophobicContact CG-CD1 4.13Å; L1741-L1745 PolarHBondContact O-N 2.95Å |
| 1742 | L | 79.2 | Confident | 75.1 | Confident | 19 Ų | 19 | 92.6 Ų | 92.6 | 10% | 0.099 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -53.5 | -48.2 | 177.1 | 179.1 | 71.3 | 0 | 0 | 0 | 111.5 | V1729 L1732 E1737 S1739 L1744 L1745 Q1746 | V1729-L1742 HydrophobicContact CG1-CD1 4.48Å; L1732-L1742 HydrophobicContact CB-CD1 3.7Å; E1737-L1742 WeakPolarHBondContact O-CD2 3.5Å; S1739-L1742 PolarHBondContact OG-N 3.44Å; S1739-L1742 VanDerWaalsContact OG-N 3.15Å; L1742-L1744 VanDerWaalsContact C-N 3.3Å; L1742-L1744 PolarHBondContact O-N 3.07Å; L1742-L1745 PolarHBondContact O-N 3.17Å; L1742-Q1746 HydrophobicContact CD1-CG 4.34Å; L1742-Q1746 HydrophobicContact CG-CG 4.44Å; L1742-Q1746 WeakPolarHBondContact O-CB 3.39Å; L1742-Q1746 WeakPolarHBondContact O-CG 3.46Å; L1742-Q1746 PolarHBondContact O-N 3.43Å |
| 1743 | R | 79.2 | Confident | 75.8 | Confident | 168 Ų | 168 | 93.6 Ų | 93.6 | 63% | 0.634 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -68.1 | -24.8 | 178.6 | -79.8 | -177.1 | -75.9 | 171.1 | -8.1 | 114.2 | L1741 R1747 | L1741-R1743 VanDerWaalsContact C-N 3.32Å; L1741-R1743 PolarHBondContact O-N 3.03Å; R1743-R1747 VanDerWaalsContact O-CB 3.31Å; R1743-R1747 WeakPolarHBondContact O-CB 3.28Å; R1743-R1747 PolarHBondContact O-N 3.05Å |
| 1744 | L | 82.1 | Confident | 76.4 | Confident | 84 Ų | 84 | 95.8 Ų | 95.8 | 44% | 0.44 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -76.4 | -48.3 | 173.1 | -107.9 | 164.8 | 0 | 0 | 0 | 110.9 | R1740 L1741 L1742 R1747 Q1748 | R1740-L1744 PolarHBondContact O-N 3.35Å; L1741-L1744 WeakPolarHBondContact O-CB 3.47Å; L1741-L1744 PolarHBondContact O-N 3.06Å; L1742-L1744 VanDerWaalsContact C-N 3.3Å; L1742-L1744 PolarHBondContact O-N 3.07Å; L1744-R1747 PolarHBondContact O-N 3.39Å; L1744-Q1748 PolarHBondContact O-N 2.78Å |
| 1745 | L | 80.8 | Confident | 77 | Confident | 42 Ų | 42 | 93.7 Ų | 93.7 | 22% | 0.22 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -60 | -49.7 | 176.3 | -81.4 | 164.9 | 0 | 0 | 0 | 111.7 | V1729 L1732 L1741 L1742 R1747 Q1748 S1749 | V1729-L1745 HydrophobicContact CG2-CB 3.76Å; L1732-L1745 HydrophobicContact CD1-CD1 3.76Å; L1741-L1745 HydrophobicContact CD2-CD1 4.42Å; L1741-L1745 HydrophobicContact CG-CD1 4.13Å; L1741-L1745 PolarHBondContact O-N 2.95Å; L1742-L1745 PolarHBondContact O-N 3.17Å; L1745-R1747 VanDerWaalsContact C-N 3.27Å; L1745-R1747 PolarHBondContact O-N 3.01Å; L1745-Q1748 PolarHBondContact O-N 3.45Å; L1745-S1749 PolarHBondContact O-N 3.11Å; L1745-S1749 PolarHBondContact O-OG 3.13Å; L1745-S1749 VanDerWaalsContact O-OG 3.11Å |
| 1746 | Q | 83.6 | Confident | 77.8 | Confident | 78 Ų | 78 | 88.7 Ų | 88.7 | 36% | 0.364 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -54.6 | -42.6 | 174.8 | -78.7 | 177.4 | -24.1 | 0 | 0 | 112.3 | V1729 L1742 S1749 A1750 | V1729-Q1746 HydrophobicContact CB-CG 4.44Å; V1729-Q1746 HydrophobicContact CG1-CG 3.54Å; V1729-Q1746 HydrophobicContact CG2-CG 3.97Å; L1742-Q1746 HydrophobicContact CD1-CG 4.34Å; L1742-Q1746 HydrophobicContact CG-CG 4.44Å; L1742-Q1746 WeakPolarHBondContact O-CB 3.39Å; L1742-Q1746 WeakPolarHBondContact O-CG 3.46Å; L1742-Q1746 PolarHBondContact O-N 3.43Å; Q1746-S1749 WeakPolarHBondContact CA-OG 3.42Å; Q1746-S1749 PolarHBondContact O-OG 3.04Å; Q1746-A1750 VanDerWaalsContact O-CB 3.27Å; Q1746-A1750 WeakPolarHBondContact O-CB 3.46Å; Q1746-A1750 PolarHBondContact O-N 3.37Å |
| 1747 | R | 85.7 | Confident | 79.1 | Confident | 183 Ų | 183 | 89.2 Ų | 89.2 | 69% | 0.691 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -73 | -36.3 | 179.8 | -172.1 | 173.7 | -178.6 | 174.3 | 1.2 | 112.6 | R1743 L1744 L1745 L1751 | R1743-R1747 VanDerWaalsContact O-CB 3.31Å; R1743-R1747 WeakPolarHBondContact O-CB 3.28Å; R1743-R1747 PolarHBondContact O-N 3.05Å; L1744-R1747 PolarHBondContact O-N 3.39Å; L1745-R1747 VanDerWaalsContact C-N 3.27Å; L1745-R1747 PolarHBondContact O-N 3.01Å; R1747-L1751 HydrophobicContact CG-CD1 4.21Å; R1747-L1751 WeakPolarHBondContact O-CB 3.35Å; R1747-L1751 VanDerWaalsContact O-CG 3.28Å; R1747-L1751 WeakPolarHBondContact O-CG 3.42Å; R1747-L1751 PolarHBondContact O-N 2.91Å; R1747-L1751 VanDerWaalsContact O-N 3.08Å |
| 1748 | Q | 83.5 | Confident | 80.7 | Confident | 105 Ų | 105 | 86 Ų | 86 | 49% | 0.491 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -67.2 | -48.5 | 173 | -77.9 | -175.9 | -104.5 | 0 | 0 | 111.2 | L1744 L1745 A1750 L1751 E1752 | L1744-Q1748 PolarHBondContact O-N 2.78Å; L1745-Q1748 PolarHBondContact O-N 3.45Å; Q1748-A1750 VanDerWaalsContact C-N 3.28Å; Q1748-A1750 PolarHBondContact O-N 3.17Å; Q1748-L1751 PolarHBondContact O-N 2.96Å; Q1748-E1752 WeakPolarHBondContact O-CG 3.34Å; Q1748-E1752 PolarHBondContact O-N 2.96Å |
| 1749 | S | 85 | Confident | 82.1 | Confident | 11 Ų | 11 | 78.6 Ų | 78.6 | 8% | 0.077 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -60.9 | -37.6 | 177.6 | 61 | 0 | 0 | 0 | 0 | 111.9 | L1745 Q1746 I1753 | L1745-S1749 PolarHBondContact O-N 3.11Å; L1745-S1749 PolarHBondContact O-OG 3.13Å; L1745-S1749 VanDerWaalsContact O-OG 3.11Å; Q1746-S1749 WeakPolarHBondContact CA-OG 3.42Å; Q1746-S1749 PolarHBondContact O-OG 3.04Å; S1749-I1753 WeakPolarHBondContact O-CB 3.39Å; S1749-I1753 WeakPolarHBondContact O-CD1 3.47Å; S1749-I1753 WeakPolarHBondContact O-CG1 3.34Å; S1749-I1753 PolarHBondContact O-N 3.25Å |
| 1750 | A | 86.8 | Confident | 83 | Confident | 43 Ų | 43 | 78.7 Ų | 78.7 | 36% | 0.355 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -63.1 | -50.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q1746 Q1748 E1752 I1753 D1754 | Q1746-A1750 VanDerWaalsContact O-CB 3.27Å; Q1746-A1750 WeakPolarHBondContact O-CB 3.46Å; Q1746-A1750 PolarHBondContact O-N 3.37Å; Q1748-A1750 VanDerWaalsContact C-N 3.28Å; Q1748-A1750 PolarHBondContact O-N 3.17Å; A1750-E1752 VanDerWaalsContact C-N 3.31Å; A1750-E1752 PolarHBondContact O-N 3.08Å; A1750-I1753 WeakPolarHBondContact O-CB 3.37Å; A1750-I1753 PolarHBondContact O-N 2.75Å; A1750-I1753 VanDerWaalsContact O-N 3.15Å; A1750-D1754 VanDerWaalsContact O-CG 3.29Å; A1750-D1754 PolarHBondContact O-N 3.3Å |
| 1751 | L | 86.9 | Confident | 83.5 | Confident | 100 Ų | 100 | 72.6 Ų | 72.6 | 52% | 0.524 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -61.6 | -36.9 | 178.4 | -71.9 | 168.6 | 0 | 0 | 0 | 112.7 | R1747 Q1748 D1754 E1755 | R1747-L1751 HydrophobicContact CG-CD1 4.21Å; R1747-L1751 WeakPolarHBondContact O-CB 3.35Å; R1747-L1751 VanDerWaalsContact O-CG 3.28Å; R1747-L1751 WeakPolarHBondContact O-CG 3.42Å; R1747-L1751 PolarHBondContact O-N 2.91Å; R1747-L1751 VanDerWaalsContact O-N 3.08Å; Q1748-L1751 PolarHBondContact O-N 2.96Å; L1751-D1754 PolarHBondContact O-N 3.32Å; L1751-E1755 WeakPolarHBondContact O-CB 3.25Å; L1751-E1755 PolarHBondContact O-N 2.9Å |
| 1752 | E | 86 | Confident | 84.1 | Confident | 62 Ų | 62 | 71.1 Ų | 71.1 | 29% | 0.29 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -74.7 | -30.2 | 175.7 | -69.7 | -173.9 | 128.8 | 0 | 0 | 112.7 | L1722 Q1748 A1750 L1756 | L1722-E1752 HydrophobicContact CD1-CB 3.34Å; Q1748-E1752 WeakPolarHBondContact O-CG 3.34Å; Q1748-E1752 PolarHBondContact O-N 2.96Å; A1750-E1752 VanDerWaalsContact C-N 3.31Å; A1750-E1752 PolarHBondContact O-N 3.08Å; E1752-L1756 VanDerWaalsContact O-CB 3.27Å; E1752-L1756 WeakPolarHBondContact O-CB 3.45Å; E1752-L1756 WeakPolarHBondContact O-CG 3.39Å; E1752-L1756 PolarHBondContact O-N 3Å |
| 1753 | I | 86.8 | Confident | 84.3 | Confident | 57 Ų | 57 | 70.2 Ų | 70.2 | 29% | 0.292 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -64.8 | -45.8 | 168.6 | -70.3 | 157.4 | 0 | 0 | 0 | 109.9 | L1722 S1749 A1750 E1755 L1756 T1757 | L1722-I1753 HydrophobicContact CD1-CG1 4.15Å; L1722-I1753 HydrophobicContact CD2-CG1 3.87Å; S1749-I1753 WeakPolarHBondContact O-CB 3.39Å; S1749-I1753 WeakPolarHBondContact O-CD1 3.47Å; S1749-I1753 WeakPolarHBondContact O-CG1 3.34Å; S1749-I1753 PolarHBondContact O-N 3.25Å; A1750-I1753 WeakPolarHBondContact O-CB 3.37Å; A1750-I1753 PolarHBondContact O-N 2.75Å; A1750-I1753 VanDerWaalsContact O-N 3.15Å; I1753-E1755 PolarHBondContact O-N 2.82Å; I1753-L1756 PolarHBondContact O-N 3.11Å; I1753-T1757 HydrophobicContact CG2-CG2 4.31Å; I1753-T1757 WeakPolarHBondContact O-CB 3.19Å; I1753-T1757 WeakPolarHBondContact O-CG2 3.36Å; I1753-T1757 PolarHBondContact O-N 3.44Å; I1753-T1757 PolarHBondContact O-OG1 3.26Å |
| 1754 | D | 86.9 | Confident | 84.6 | Confident | 99 Ų | 99 | 63 Ų | 63 | 53% | 0.529 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -62.8 | -41.7 | 178.9 | -65.9 | -20.2 | 0 | 0 | 0 | 110.8 | A1750 L1751 T1757 A1758 | A1750-D1754 VanDerWaalsContact O-CG 3.29Å; A1750-D1754 PolarHBondContact O-N 3.3Å; L1751-D1754 PolarHBondContact O-N 3.32Å; D1754-T1757 WeakPolarHBondContact CA-OG1 3.42Å; D1754-T1757 PolarHBondContact O-OG1 2.99Å; D1754-T1757 VanDerWaalsContact O-OG1 3.1Å; D1754-A1758 VanDerWaalsContact O-CB 3.25Å; D1754-A1758 WeakPolarHBondContact O-CB 3.5Å; D1754-A1758 PolarHBondContact O-N 3.22Å |
| 1755 | E | 85.4 | Confident | 84.7 | Confident | 86 Ų | 86 | 65 Ų | 65 | 40% | 0.402 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -67.4 | -46.1 | 175.9 | -165.7 | -164.4 | 139.2 | 0 | 0 | 112.6 | R1718 L1751 I1753 A1758 L1759 | R1718-E1755 IonicContact CZ-OE1 2.74Å; R1718-E1755 VanDerWaalsContact CZ-OE1 3.25Å; R1718-E1755 IonicContact CZ-OE2 3.78Å; R1718-E1755 IonicContact NH1-OE1 3.58Å; R1718-E1755 PolarHBondContact NH1-OE1 3.34Å; R1718-E1755 IonicContact NH1-OE2 3.09Å; R1718-E1755 IonicContact NH2-OE1 3.46Å; R1718-E1755 PolarHBondContact NH2-OE1 2.97Å; R1718-E1755 IonicContact NH2-OE2 3.54Å; R1718-E1755 PolarHBondContact NH2-OE2 3.14Å; L1751-E1755 WeakPolarHBondContact O-CB 3.25Å; L1751-E1755 PolarHBondContact O-N 2.9Å; I1753-E1755 PolarHBondContact O-N 2.82Å; E1755-A1758 PolarHBondContact O-N 2.83Å; E1755-L1759 HydrophobicContact CG-CD1 4.43Å; E1755-L1759 WeakPolarHBondContact O-CG 3.48Å; E1755-L1759 PolarHBondContact O-N 3.33Å |
| 1756 | L | 83.8 | Confident | 85 | Confident | 16 Ų | 16 | 64 Ų | 64 | 8% | 0.084 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -65.6 | -39.6 | 178.2 | -71.5 | 174.6 | 0 | 0 | 0 | 111.8 | F1715 L1722 E1752 I1753 T1760 | F1715-L1756 HydrophobicContact CD2-CD2 4.15Å; F1715-L1756 HydrophobicContact CE2-CD2 3.4Å; F1715-L1756 VanDerWaalsContact CE2-CD2 3.4Å; F1715-L1756 HydrophobicContact CZ-CD2 3.94Å; L1722-L1756 HydrophobicContact CD1-CD1 3.99Å; E1752-L1756 VanDerWaalsContact O-CB 3.27Å; E1752-L1756 WeakPolarHBondContact O-CB 3.45Å; E1752-L1756 WeakPolarHBondContact O-CG 3.39Å; E1752-L1756 PolarHBondContact O-N 3Å; I1753-L1756 PolarHBondContact O-N 3.11Å; L1756-T1760 WeakPolarHBondContact O-CG2 3.41Å; L1756-T1760 PolarHBondContact O-N 2.76Å; L1756-T1760 VanDerWaalsContact O-N 3.09Å; L1756-T1760 PolarHBondContact O-OG1 3.27Å |
| 1757 | T | 85.3 | Confident | 85.2 | Confident | 68 Ų | 68 | 60.2 Ų | 60.2 | 42% | 0.417 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -67 | -45.4 | 176.6 | 51.2 | 0 | 0 | 0 | 0 | 110.8 | I1753 D1754 L1759 T1760 T1761 | I1753-T1757 HydrophobicContact CG2-CG2 4.31Å; I1753-T1757 WeakPolarHBondContact O-CB 3.19Å; I1753-T1757 WeakPolarHBondContact O-CG2 3.36Å; I1753-T1757 PolarHBondContact O-N 3.44Å; I1753-T1757 PolarHBondContact O-OG1 3.26Å; D1754-T1757 WeakPolarHBondContact CA-OG1 3.42Å; D1754-T1757 PolarHBondContact O-OG1 2.99Å; D1754-T1757 VanDerWaalsContact O-OG1 3.1Å; T1757-L1759 PolarHBondContact O-N 3.29Å; T1757-T1760 WeakPolarHBondContact CA-OG1 3.32Å; T1757-T1760 PolarHBondContact O-N 3.44Å; T1757-T1760 VanDerWaalsContact O-N 3.1Å; T1757-T1760 PolarHBondContact O-OG1 3.47Å; T1757-T1761 PolarHBondContact O-N 3.21Å; T1757-T1761 PolarHBondContact O-OG1 3.25Å |
| 1758 | A | 84.5 | Confident | 85.2 | Confident | 44 Ų | 44 | 53.2 Ų | 53.2 | 36% | 0.364 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -54.1 | -49.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | D1754 E1755 T1760 T1761 D1762 | D1754-A1758 VanDerWaalsContact O-CB 3.25Å; D1754-A1758 WeakPolarHBondContact O-CB 3.5Å; D1754-A1758 PolarHBondContact O-N 3.22Å; E1755-A1758 PolarHBondContact O-N 2.83Å; A1758-T1760 VanDerWaalsContact C-N 3.29Å; A1758-T1760 PolarHBondContact O-N 2.85Å; A1758-T1761 WeakPolarHBondContact CA-OG1 3.48Å; A1758-T1761 PolarHBondContact O-N 2.93Å; A1758-T1761 VanDerWaalsContact O-N 3.16Å; A1758-T1761 PolarHBondContact O-OG1 2.92Å; A1758-D1762 WeakPolarHBondContact O-CB 3.25Å; A1758-D1762 PolarHBondContact O-N 2.8Å |
| 1759 | L | 84.1 | Confident | 85.2 | Confident | 40 Ų | 40 | 49.6 Ų | 49.6 | 21% | 0.209 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -59.9 | -36.5 | 176.9 | -73.7 | 169.7 | 0 | 0 | 0 | 112.9 | L1706 E1755 T1757 A1763 | L1706-L1759 HydrophobicContact CD2-CD2 4.34Å; E1755-L1759 HydrophobicContact CG-CD1 4.43Å; E1755-L1759 WeakPolarHBondContact O-CG 3.48Å; E1755-L1759 PolarHBondContact O-N 3.33Å; T1757-L1759 PolarHBondContact O-N 3.29Å; L1759-A1763 WeakPolarHBondContact O-CB 3.45Å; L1759-A1763 PolarHBondContact O-N 3.46Å |
| 1760 | T | 82.5 | Confident | 85.4 | Confident | 29 Ų | 29 | 49.1 Ų | 49.1 | 18% | 0.178 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -73.7 | -36.6 | 174.6 | 56.8 | 0 | 0 | 0 | 0 | 113.2 | L1710 L1756 T1757 A1758 D1764 F1803 | L1710-T1760 HydrophobicContact CD1-CG2 4.34Å; L1710-T1760 HydrophobicContact CD2-CG2 4.03Å; L1756-T1760 WeakPolarHBondContact O-CG2 3.41Å; L1756-T1760 PolarHBondContact O-N 2.76Å; L1756-T1760 VanDerWaalsContact O-N 3.09Å; L1756-T1760 PolarHBondContact O-OG1 3.27Å; T1757-T1760 WeakPolarHBondContact CA-OG1 3.32Å; T1757-T1760 PolarHBondContact O-N 3.44Å; T1757-T1760 VanDerWaalsContact O-N 3.1Å; T1757-T1760 PolarHBondContact O-OG1 3.47Å; A1758-T1760 VanDerWaalsContact C-N 3.29Å; A1758-T1760 PolarHBondContact O-N 2.85Å; T1760-D1764 WeakPolarHBondContact O-CB 3.29Å; T1760-D1764 PolarHBondContact O-N 3.36Å; T1760-F1803 HydrophobicContact CG2-CD1 4.39Å; T1760-F1803 HydrophobicContact CG2-CE1 3.82Å; T1760-F1803 HydrophobicContact CG2-CZ 4.19Å |
| 1761 | T | 84.5 | Confident | 85.5 | Confident | 83 Ų | 83 | 47.1 Ų | 47.1 | 51% | 0.509 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -70.4 | -37.9 | 177 | 48.1 | 0 | 0 | 0 | 0 | 112.3 | T1757 A1758 D1764 H1765 | T1757-T1761 PolarHBondContact O-N 3.21Å; T1757-T1761 PolarHBondContact O-OG1 3.25Å; A1758-T1761 WeakPolarHBondContact CA-OG1 3.48Å; A1758-T1761 PolarHBondContact O-N 2.93Å; A1758-T1761 VanDerWaalsContact O-N 3.16Å; A1758-T1761 PolarHBondContact O-OG1 2.92Å; T1761-D1764 PolarHBondContact O-N 3.13Å; T1761-H1765 WeakPolarHBondContact O-CB 3.42Å; T1761-H1765 PolarHBondContact O-N 2.69Å |
| 1762 | D | 82.7 | Confident | 85.5 | Confident | 76 Ų | 76 | 44.1 Ų | 44.1 | 41% | 0.406 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -63.7 | -47 | 174.7 | -75.9 | -1.8 | 0 | 0 | 0 | 110.5 | L1706 A1758 D1764 H1765 F1766 | L1706-D1762 HydrophobicContact CD1-CB 4.49Å; A1758-D1762 WeakPolarHBondContact O-CB 3.25Å; A1758-D1762 PolarHBondContact O-N 2.8Å; D1762-D1764 VanDerWaalsContact C-N 3.31Å; D1762-D1764 PolarHBondContact O-N 3.33Å; D1762-H1765 PolarHBondContact O-N 3.27Å; D1762-H1765 VanDerWaalsContact O-N 3.13Å; D1762-F1766 HydrophobicContact CB-CE2 4.38Å; D1762-F1766 WeakPolarHBondContact O-CD2 3.34Å; D1762-F1766 PolarHBondContact O-N 2.89Å |
| 1763 | A | 84.8 | Confident | 85.5 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -59.2 | -41.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | F1703 L1706 L1710 L1759 L1767 | F1703-A1763 WeakPolarHBondContact CD2-O 3.38Å; L1706-A1763 HydrophobicContact CB-CB 4.01Å; L1706-A1763 HydrophobicContact CD1-CB 4.14Å; L1710-A1763 HydrophobicContact CD1-CB 3.85Å; L1759-A1763 WeakPolarHBondContact O-CB 3.45Å; L1759-A1763 PolarHBondContact O-N 3.46Å; A1763-L1767 WeakPolarHBondContact O-CB 3.4Å; A1763-L1767 PolarHBondContact O-N 3.47Å |
| 1764 | D | 85.1 | Confident | 85.6 | Confident | 17 Ų | 17 | 39 Ų | 39 | 9% | 0.091 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -64.1 | -40.4 | 173.9 | -83.2 | 17.3 | 0 | 0 | 0 | 111.9 | T1760 T1761 D1762 L1767 E1768 R1806 | T1760-D1764 WeakPolarHBondContact O-CB 3.29Å; T1760-D1764 PolarHBondContact O-N 3.36Å; T1761-D1764 PolarHBondContact O-N 3.13Å; D1762-D1764 VanDerWaalsContact C-N 3.31Å; D1762-D1764 PolarHBondContact O-N 3.33Å; D1764-L1767 WeakPolarHBondContact O-CB 3.46Å; D1764-L1767 PolarHBondContact O-N 2.8Å; D1764-E1768 VanDerWaalsContact O-CG 3.3Å; D1764-E1768 WeakPolarHBondContact O-CG 3.46Å; D1764-E1768 PolarHBondContact O-N 2.98Å; D1764-R1806 IonicContact OD1-CZ 3.33Å; D1764-R1806 IonicContact OD1-NE 3.28Å; D1764-R1806 PolarHBondContact OD1-NE 3.07Å; D1764-R1806 IonicContact OD1-NH2 2.92Å; D1764-R1806 PolarHBondContact OD1-NH2 3.05Å |
| 1765 | H | 84.8 | Confident | 85.7 | Confident | 126 Ų | 126 | 34.4 Ų | 34.4 | 58% | 0.583 | 19% | 0.191 | S | C | * | . | H | α-helix | trans | -67.9 | -39.3 | 178.5 | -116.7 | 14.6 | 0 | 0 | 0 | 112.9 | T1761 D1762 L1767 E1768 A1769 | T1761-H1765 WeakPolarHBondContact O-CB 3.42Å; T1761-H1765 PolarHBondContact O-N 2.69Å; D1762-H1765 PolarHBondContact O-N 3.27Å; D1762-H1765 VanDerWaalsContact O-N 3.13Å; H1765-L1767 VanDerWaalsContact C-N 3.31Å; H1765-L1767 PolarHBondContact O-N 3.36Å; H1765-E1768 IonicContact CE1-OE2 3.47Å; H1765-E1768 IonicContact CG-OE2 2.7Å; H1765-E1768 IonicContact ND1-OE2 3.93Å; H1765-E1768 PolarHBondContact ND1-OE2 3.08Å; H1765-E1768 PolarHBondContact O-N 2.81Å; H1765-A1769 WeakPolarHBondContact O-CB 3.25Å; H1765-A1769 PolarHBondContact O-N 3.38Å |
| 1766 | F | 85.6 | Confident | 85.8 | Confident | 20 Ų | 20 | 32.5 Ų | 32.5 | 9% | 0.088 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -65.1 | -34.6 | 171.6 | -71.8 | -62.8 | 0 | 0 | 0 | 111.8 | A1665 L1669 Q1702 F1703 L1706 D1762 S1770 | A1665-F1766 HydrophobicContact CB-CZ 4.22Å; L1669-F1766 HydrophobicContact CD1-CD1 3.94Å; L1669-F1766 HydrophobicContact CD1-CE1 3.59Å; Q1702-F1766 HydrophobicContact CB-CB 4.27Å; Q1702-F1766 HydrophobicContact CB-CD1 3.7Å; Q1702-F1766 HydrophobicContact CB-CD2 3.82Å; Q1702-F1766 HydrophobicContact CB-CE1 3.89Å; Q1702-F1766 HydrophobicContact CB-CE2 4.03Å; Q1702-F1766 HydrophobicContact CB-CG 3.67Å; Q1702-F1766 HydrophobicContact CB-CZ 4.07Å; Q1702-F1766 HydrophobicContact CG-CD1 3.97Å; Q1702-F1766 HydrophobicContact CG-CE1 3.73Å; Q1702-F1766 HydrophobicContact CG-CE2 4.45Å; Q1702-F1766 HydrophobicContact CG-CG 4.43Å; Q1702-F1766 HydrophobicContact CG-CZ 4.01Å; F1703-F1766 HydrophobicContact CB-CB 4.08Å; L1706-F1766 HydrophobicContact CD1-CD2 3.71Å; L1706-F1766 HydrophobicContact CD1-CE2 3.96Å; D1762-F1766 HydrophobicContact CB-CE2 4.38Å; D1762-F1766 WeakPolarHBondContact O-CD2 3.34Å; D1762-F1766 PolarHBondContact O-N 2.89Å; F1766-S1770 WeakPolarHBondContact O-CB 3.38Å; F1766-S1770 PolarHBondContact O-N 3.02Å; F1766-S1770 PolarHBondContact O-OG 3.09Å |
| 1767 | L | 87.8 | Confident | 86 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -67.4 | -44.5 | 173.1 | -176.1 | 60.3 | 0 | 0 | 0 | 112 | F1703 A1763 D1764 H1765 S1770 I1771 L1794 R1806 M1810 | F1703-L1767 HydrophobicContact CD1-CD1 3.93Å; F1703-L1767 HydrophobicContact CD2-CB 3.74Å; F1703-L1767 HydrophobicContact CD2-CD1 4.35Å; F1703-L1767 HydrophobicContact CD2-CG 4.42Å; F1703-L1767 HydrophobicContact CE1-CD1 3.83Å; F1703-L1767 HydrophobicContact CE2-CB 3.99Å; F1703-L1767 HydrophobicContact CE2-CD1 4.24Å; F1703-L1767 HydrophobicContact CE2-CD2 3.93Å; F1703-L1767 HydrophobicContact CE2-CG 4.27Å; F1703-L1767 HydrophobicContact CG-CB 4.11Å; F1703-L1767 HydrophobicContact CG-CD1 4.19Å; F1703-L1767 HydrophobicContact CZ-CD1 3.98Å; F1703-L1767 HydrophobicContact CZ-CD2 4.02Å; F1703-L1767 HydrophobicContact CZ-CG 4.42Å; A1763-L1767 WeakPolarHBondContact O-CB 3.4Å; A1763-L1767 PolarHBondContact O-N 3.47Å; D1764-L1767 WeakPolarHBondContact O-CB 3.46Å; D1764-L1767 PolarHBondContact O-N 2.8Å; H1765-L1767 VanDerWaalsContact C-N 3.31Å; H1765-L1767 PolarHBondContact O-N 3.36Å; L1767-S1770 WeakPolarHBondContact CA-OG 3.35Å; L1767-S1770 PolarHBondContact O-N 2.93Å; L1767-S1770 PolarHBondContact O-OG 3.09Å; L1767-I1771 HydrophobicContact CD1-CD1 3.69Å; L1767-I1771 HydrophobicContact CD1-CG1 4.29Å; L1767-I1771 HydrophobicContact CG-CD1 4.12Å; L1767-I1771 PolarHBondContact O-N 3.43Å; L1767-I1771 VanDerWaalsContact O-N 3.07Å; L1767-L1794 HydrophobicContact CD1-CB 4.23Å; L1767-L1794 HydrophobicContact CD1-CD2 4.11Å; L1767-R1806 HydrophobicContact CD2-CG 3.8Å; L1767-M1810 HydrophobicContact CB-CE 4.19Å; L1767-M1810 HydrophobicContact CD2-CE 3.83Å; L1767-M1810 HydrophobicContact CD2-CG 4.19Å; L1767-M1810 HydrophobicContact CD2-SD 4.01Å; L1767-M1810 HydrophobicContact CG-CE 3.72Å; L1767-M1810 HydrophobicContact CG-SD 3.82Å |
| 1768 | E | 87.4 | Confident | 86.1 | Confident | 35 Ų | 35 | 28.5 Ų | 28.5 | 16% | 0.164 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -58.1 | -48.6 | 174.9 | -71.7 | 174.7 | 142.2 | 0 | 0 | 111.1 | D1764 H1765 D1772 K1809 M1810 I1813 | D1764-E1768 VanDerWaalsContact O-CG 3.3Å; D1764-E1768 WeakPolarHBondContact O-CG 3.46Å; D1764-E1768 PolarHBondContact O-N 2.98Å; H1765-E1768 IonicContact CE1-OE2 3.47Å; H1765-E1768 IonicContact CG-OE2 2.7Å; H1765-E1768 IonicContact ND1-OE2 3.93Å; H1765-E1768 PolarHBondContact ND1-OE2 3.08Å; H1765-E1768 PolarHBondContact O-N 2.81Å; E1768-D1772 WeakPolarHBondContact O-CB 3.44Å; E1768-D1772 PolarHBondContact O-N 3.06Å; E1768-K1809 WeakPolarHBondContact OE1-CD 3.32Å; E1768-K1809 WeakPolarHBondContact OE1-CE 3.18Å; E1768-K1809 IonicContact OE1-NZ 2.7Å; E1768-K1809 PolarHBondContact OE1-NZ 3.09Å; E1768-K1809 IonicContact OE2-NZ 3.74Å; E1768-K1809 PolarHBondContact OE2-NZ 3.31Å; E1768-M1810 HydrophobicContact CB-CE 4.35Å; E1768-M1810 HydrophobicContact CG-CE 3.45Å; E1768-M1810 VanDerWaalsContact CG-CE 3.45Å; E1768-I1813 HydrophobicContact CB-CD1 4.11Å; E1768-I1813 HydrophobicContact CG-CD1 3.86Å |
| 1769 | A | 83.4 | Confident | 86.3 | Confident | 30 Ų | 30 | 28.7 Ų | 28.7 | 25% | 0.248 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -63.4 | -42.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113 | H1765 A1773 | H1765-A1769 WeakPolarHBondContact O-CB 3.25Å; H1765-A1769 PolarHBondContact O-N 3.38Å; A1769-A1773 WeakPolarHBondContact O-CB 3.39Å; A1769-A1773 PolarHBondContact O-N 2.99Å |
| 1770 | S | 88.2 | Confident | 86.3 | Confident | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -68.2 | -44.4 | -179 | 56.9 | 0 | 0 | 0 | 0 | 112.7 | S1699 F1766 L1767 A1773 Y1774 | S1699-S1770 WeakPolarHBondContact OG-CA 3.42Å; S1699-S1770 VanDerWaalsContact OG-CB 3.28Å; S1699-S1770 WeakPolarHBondContact OG-CB 3.29Å; S1699-S1770 PolarHBondContact OG-N 3.48Å; F1766-S1770 WeakPolarHBondContact O-CB 3.38Å; F1766-S1770 PolarHBondContact O-N 3.02Å; F1766-S1770 PolarHBondContact O-OG 3.09Å; L1767-S1770 WeakPolarHBondContact CA-OG 3.35Å; L1767-S1770 PolarHBondContact O-N 2.93Å; L1767-S1770 PolarHBondContact O-OG 3.09Å; S1770-A1773 PolarHBondContact O-N 3.03Å; S1770-Y1774 WeakPolarHBondContact O-CB 3.34Å; S1770-Y1774 WeakPolarHBondContact O-CD2 3.31Å; S1770-Y1774 PolarHBondContact O-N 3.18Å |
| 1771 | I | 89.2 | Confident | 86.2 | Confident | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.005 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -66.5 | -41.6 | 178 | -78.9 | 171 | 0 | 0 | 0 | 110.9 | L1767 A1775 F1791 L1794 M1810 I1813 | L1767-I1771 HydrophobicContact CD1-CD1 3.69Å; L1767-I1771 HydrophobicContact CD1-CG1 4.29Å; L1767-I1771 HydrophobicContact CG-CD1 4.12Å; L1767-I1771 PolarHBondContact O-N 3.43Å; L1767-I1771 VanDerWaalsContact O-N 3.07Å; I1771-A1775 WeakPolarHBondContact O-CB 3.46Å; I1771-A1775 PolarHBondContact O-N 3.46Å; I1771-F1791 HydrophobicContact CG2-CD2 4.4Å; I1771-F1791 HydrophobicContact CG2-CE2 3.9Å; I1771-F1791 WeakPolarHBondContact O-CE2 3.21Å; I1771-L1794 HydrophobicContact CD1-CB 3.93Å; I1771-L1794 HydrophobicContact CG1-CB 4.07Å; I1771-L1794 HydrophobicContact CG1-CD1 4.31Å; I1771-M1810 HydrophobicContact CD1-CG 4.41Å; I1771-M1810 HydrophobicContact CD1-SD 3.48Å; I1771-M1810 WeakPolarHBondContact CD1-SD 3.29Å; I1771-I1813 HydrophobicContact CG2-CG2 4.04Å |
| 1772 | D | 87.1 | Confident | 86 | Confident | 37 Ų | 37 | 27.8 Ų | 27.8 | 20% | 0.198 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -67.9 | -40.8 | 177.9 | -161.4 | 60.2 | 0 | 0 | 0 | 112.3 | E1768 A1775 Q1776 R1817 | E1768-D1772 WeakPolarHBondContact O-CB 3.44Å; E1768-D1772 PolarHBondContact O-N 3.06Å; D1772-A1775 PolarHBondContact O-N 3.46Å; D1772-Q1776 WeakPolarHBondContact O-CG 3.5Å; D1772-Q1776 PolarHBondContact O-N 3.46Å; D1772-Q1776 PolarHBondContact OD2-NE2 3.41Å; D1772-R1817 VanDerWaalsContact CG-NH2 3.34Å; D1772-R1817 IonicContact OD1-CZ 2.7Å; D1772-R1817 VanDerWaalsContact OD1-CZ 3.28Å; D1772-R1817 IonicContact OD1-NE 3.61Å; D1772-R1817 PolarHBondContact OD1-NE 3Å; D1772-R1817 IonicContact OD1-NH2 2.72Å; D1772-R1817 PolarHBondContact OD1-NH2 2.76Å; D1772-R1817 IonicContact OD2-CZ 2.81Å; D1772-R1817 IonicContact OD2-NE 3.91Å; D1772-R1817 IonicContact OD2-NH2 3.62Å; D1772-R1817 PolarHBondContact OD2-NH2 3.1Å |
| 1773 | A | 85.5 | Confident | 85.4 | Confident | 2 Ų | 2 | 29.5 Ų | 29.5 | 2% | 0.017 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -66.9 | -41.5 | 176 | 0 | 0 | 0 | 0 | 0 | 112.5 | F1692 L1695 A1696 A1769 S1770 Q1776 C1777 | F1692-A1773 HydrophobicContact CD1-CB 4.45Å; L1695-A1773 HydrophobicContact CB-CB 4.22Å; L1695-A1773 HydrophobicContact CD2-CB 3.85Å; L1695-A1773 HydrophobicContact CG-CB 3.84Å; A1696-A1773 HydrophobicContact CB-CB 3.78Å; A1769-A1773 WeakPolarHBondContact O-CB 3.39Å; A1769-A1773 PolarHBondContact O-N 2.99Å; S1770-A1773 PolarHBondContact O-N 3.03Å; A1773-Q1776 PolarHBondContact O-N 3.11Å; A1773-C1777 VanDerWaalsContact O-CB 3.26Å; A1773-C1777 WeakPolarHBondContact O-CB 3.23Å; A1773-C1777 PolarHBondContact O-N 3.37Å |
| 1774 | Y | 89.2 | Confident | 85.2 | Confident | 11 Ų | 11 | 30.7 Ų | 30.7 | 4% | 0.043 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -61.7 | -43.3 | 172.3 | -82.3 | -50.1 | 0 | 0 | 0 | 111.5 | M1693 A1696 D1700 S1770 C1777 L1778 R1790 L1794 | M1693-Y1774 HydrophobicContact CE-CD1 4.18Å; M1693-Y1774 HydrophobicContact CE-CE1 3.99Å; M1693-Y1774 HydrophobicContact SD-CE1 4.02Å; A1696-Y1774 HydrophobicContact CB-CD1 3.46Å; A1696-Y1774 VanDerWaalsContact CB-CD1 3.46Å; A1696-Y1774 HydrophobicContact CB-CD2 3.87Å; A1696-Y1774 HydrophobicContact CB-CE1 3.48Å; A1696-Y1774 VanDerWaalsContact CB-CE1 3.48Å; A1696-Y1774 HydrophobicContact CB-CE2 3.9Å; A1696-Y1774 HydrophobicContact CB-CG 3.64Å; D1700-Y1774 HydrophobicContact CB-CE2 4.16Å; D1700-Y1774 PolarHBondContact OD2-OH 3.04Å; S1770-Y1774 WeakPolarHBondContact O-CB 3.34Å; S1770-Y1774 WeakPolarHBondContact O-CD2 3.31Å; S1770-Y1774 PolarHBondContact O-N 3.18Å; Y1774-C1777 PolarHBondContact O-N 3.2Å; Y1774-L1778 WeakPolarHBondContact O-CB 3.39Å; Y1774-L1778 WeakPolarHBondContact O-CD1 3.21Å; Y1774-L1778 VanDerWaalsContact O-CG 3.24Å; Y1774-L1778 WeakPolarHBondContact O-CG 3.45Å; Y1774-L1778 PolarHBondContact O-N 3.48Å; Y1774-R1790 HydrophobicContact CE2-CG 4.14Å; Y1774-L1794 HydrophobicContact CD2-CD1 4.15Å; Y1774-L1794 HydrophobicContact CE2-CD1 3.97Å |
| 1775 | A | 89.7 | Confident | 85 | Confident | 1 Ų | 1 | 32.3 Ų | 32.3 | 1% | 0.008 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -61.5 | -46.9 | 178 | 0 | 0 | 0 | 0 | 0 | 112.2 | I1771 D1772 L1778 S1779 F1791 R1817 I1821 | I1771-A1775 WeakPolarHBondContact O-CB 3.46Å; I1771-A1775 PolarHBondContact O-N 3.46Å; D1772-A1775 PolarHBondContact O-N 3.46Å; A1775-L1778 PolarHBondContact O-N 2.91Å; A1775-S1779 PolarHBondContact O-N 3.3Å; A1775-F1791 HydrophobicContact CB-CE2 3.74Å; A1775-F1791 HydrophobicContact CB-CZ 3.93Å; A1775-R1817 HydrophobicContact CB-CB 3.86Å; A1775-R1817 HydrophobicContact CB-CG 4.23Å; A1775-I1821 HydrophobicContact CB-CD1 4.05Å |
| 1776 | Q | 87.1 | Confident | 84.7 | Confident | 46 Ų | 46 | 27.9 Ų | 27.9 | 22% | 0.215 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -63 | -47.4 | 177.3 | -70.7 | -173.3 | 72.9 | 0 | 0 | 111.2 | F1692 D1772 A1773 L1778 S1779 L1780 | F1692-Q1776 HydrophobicContact CD1-CB 3.92Å; F1692-Q1776 HydrophobicContact CD2-CB 4.36Å; F1692-Q1776 HydrophobicContact CE1-CB 3.87Å; F1692-Q1776 HydrophobicContact CE1-CG 4.33Å; F1692-Q1776 HydrophobicContact CE2-CB 4.29Å; F1692-Q1776 HydrophobicContact CG-CB 4.17Å; F1692-Q1776 HydrophobicContact CZ-CB 4.05Å; D1772-Q1776 WeakPolarHBondContact O-CG 3.5Å; D1772-Q1776 PolarHBondContact O-N 3.46Å; D1772-Q1776 PolarHBondContact OD2-NE2 3.41Å; A1773-Q1776 PolarHBondContact O-N 3.11Å; Q1776-L1778 PolarHBondContact O-N 3.37Å; Q1776-S1779 PolarHBondContact O-N 2.86Å; Q1776-S1779 VanDerWaalsContact O-N 3.11Å; Q1776-S1779 PolarHBondContact O-OG 3.42Å; Q1776-L1780 WeakPolarHBondContact O-CG 3.35Å; Q1776-L1780 PolarHBondContact O-N 2.67Å; Q1776-L1780 VanDerWaalsContact O-N 3.14Å |
| 1777 | C | 87.3 | Confident | 84.6 | Confident | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -53.7 | -49.5 | 174.2 | -174.5 | 0 | 0 | 0 | 0 | 112.6 | A1689 F1692 A1773 Y1774 S1779 L1780 S1781 H1784 | A1689-C1777 PolarHBondContact O-SG 3.02Å; F1692-C1777 HydrophobicContact CB-CB 3.79Å; A1773-C1777 VanDerWaalsContact O-CB 3.26Å; A1773-C1777 WeakPolarHBondContact O-CB 3.23Å; A1773-C1777 PolarHBondContact O-N 3.37Å; Y1774-C1777 PolarHBondContact O-N 3.2Å; C1777-S1779 VanDerWaalsContact C-N 3.26Å; C1777-S1779 PolarHBondContact O-N 3.19Å; C1777-L1780 PolarHBondContact O-N 2.65Å; C1777-S1781 PolarHBondContact O-N 3.1Å; C1777-H1784 VanDerWaalsContact SG-CD2 3.58Å |
| 1778 | L | 87.9 | Confident | 84.6 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -68.2 | -21.5 | -179.9 | -72.4 | 164 | 0 | 0 | 0 | 113.5 | Y1774 A1775 Q1776 I1788 F1791 I1821 K1825 | Y1774-L1778 WeakPolarHBondContact O-CB 3.39Å; Y1774-L1778 WeakPolarHBondContact O-CD1 3.21Å; Y1774-L1778 VanDerWaalsContact O-CG 3.24Å; Y1774-L1778 WeakPolarHBondContact O-CG 3.45Å; Y1774-L1778 PolarHBondContact O-N 3.48Å; A1775-L1778 PolarHBondContact O-N 2.91Å; Q1776-L1778 PolarHBondContact O-N 3.37Å; L1778-I1788 HydrophobicContact CD1-CB 4.49Å; L1778-I1788 HydrophobicContact CD1-CD1 3.81Å; L1778-I1788 HydrophobicContact CD2-CB 4.41Å; L1778-F1791 HydrophobicContact CD1-CB 4.08Å; L1778-F1791 HydrophobicContact CD1-CD1 4.1Å; L1778-F1791 HydrophobicContact CD1-CG 4.08Å; L1778-I1821 HydrophobicContact CB-CD1 4.46Å; L1778-I1821 HydrophobicContact CB-CG2 4.14Å; L1778-K1825 HydrophobicContact CD2-CD 4.45Å; L1778-K1825 WeakPolarHBondContact O-CD 3.45Å; L1778-K1825 WeakPolarHBondContact O-CE 3.24Å; L1778-K1825 PolarHBondContact O-NZ 2.83Å |
| 1779 | S | 88.3 | Confident | 84.3 | Confident | 48 Ų | 48 | 26.6 Ų | 26.6 | 34% | 0.336 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -79.9 | -23.8 | 170.2 | 74.2 | 0 | 0 | 0 | 0 | 113.5 | A1775 Q1776 C1777 | A1775-S1779 PolarHBondContact O-N 3.3Å; Q1776-S1779 PolarHBondContact O-N 2.86Å; Q1776-S1779 VanDerWaalsContact O-N 3.11Å; Q1776-S1779 PolarHBondContact O-OG 3.42Å; C1777-S1779 VanDerWaalsContact C-N 3.26Å; C1777-S1779 PolarHBondContact O-N 3.19Å |
| 1780 | L | 84.4 | Confident | 84.3 | Confident | 78 Ų | 78 | 27 Ų | 27 | 41% | 0.408 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -99.1 | -39.5 | -171.8 | -70.2 | 168.7 | 0 | 0 | 0 | 114.8 | A1689 F1692 Q1776 C1777 | A1689-L1780 HydrophobicContact CB-CB 3.96Å; F1692-L1780 HydrophobicContact CD2-CD1 3.71Å; F1692-L1780 HydrophobicContact CE2-CD1 3.53Å; Q1776-L1780 WeakPolarHBondContact O-CG 3.35Å; Q1776-L1780 PolarHBondContact O-N 2.67Å; Q1776-L1780 VanDerWaalsContact O-N 3.14Å; C1777-L1780 PolarHBondContact O-N 2.65Å |
| 1781 | S | 80.8 | Confident | 84.2 | Confident | 19 Ų | 19 | 27 Ų | 27 | 13% | 0.133 | 15% | 0.145 | C | C | . | . | trans | -134.6 | 157.5 | 177.9 | 93.5 | 0 | 0 | 0 | 0 | 115.1 | C1777 D1783 K1825 | C1777-S1781 PolarHBondContact O-N 3.1Å; S1781-D1783 PolarHBondContact OG-OD2 3.11Å; S1781-K1825 PolarHBondContact O-NZ 2.83Å | ||
| 1782 | D | 80.1 | Confident | 84 | Confident | 36 Ų | 36 | 27.1 Ų | 27.1 | 19% | 0.193 | 15% | 0.145 | C | C | . | . | S | Bend | trans | -94.7 | -14.2 | 179.7 | -75.5 | 2.1 | 0 | 0 | 0 | 113 | H1784 N1785 R1822 K1825 R2006 | D1782-H1784 PolarHBondContact O-N 3.05Å; D1782-N1785 WeakPolarHBondContact CA-OD1 3.42Å; D1782-N1785 WeakPolarHBondContact O-CB 3.28Å; D1782-N1785 PolarHBondContact O-N 2.93Å; D1782-N1785 PolarHBondContact O-ND2 3.32Å; D1782-N1785 PolarHBondContact O-OD1 3.46Å; D1782-R1822 IonicContact OD1-CZ 2.7Å; D1782-R1822 IonicContact OD1-NH1 2.72Å; D1782-R1822 PolarHBondContact OD1-NH1 3.44Å; D1782-R1822 IonicContact OD1-NH2 3.24Å; D1782-R1822 PolarHBondContact OD1-NH2 3.34Å; D1782-R1822 IonicContact OD2-CZ 3.97Å; D1782-R1822 VanDerWaalsContact OD2-CZ 3.31Å; D1782-R1822 IonicContact OD2-NH1 2.97Å; D1782-R1822 PolarHBondContact OD2-NH1 3.19Å; D1782-R1822 IonicContact OD2-NH2 3.71Å; D1782-R1822 PolarHBondContact OD2-NH2 3.46Å; D1782-K1825 WeakPolarHBondContact OD1-CE 3.47Å; D1782-K1825 IonicContact OD1-NZ 2.76Å; D1782-K1825 PolarHBondContact OD1-NZ 3.4Å; D1782-R2006 IonicContact OD2-CZ 2.67Å; D1782-R2006 VanDerWaalsContact OD2-CZ 3.24Å; D1782-R2006 IonicContact OD2-NE 3.37Å; D1782-R2006 IonicContact OD2-NH1 3.31Å; D1782-R2006 PolarHBondContact OD2-NH1 2.79Å; D1782-R2006 IonicContact OD2-NH2 3.04Å |
| 1783 | D | 70.7 | Confident | 83.7 | Confident | 112 Ų | 112 | 25.7 Ų | 25.7 | 60% | 0.599 | 14% | 0.138 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -27.1 | 178.9 | -47.7 | -66.4 | 0 | 0 | 0 | 112.1 | S1781 K2076 | S1781-D1783 PolarHBondContact OG-OD2 3.11Å; D1783-K2076 WeakPolarHBondContact O-CE 3.37Å; D1783-K2076 PolarHBondContact O-NZ 3.23Å |
| 1784 | H | 78.6 | Confident | 83.5 | Confident | 26 Ų | 26 | 25.8 Ų | 25.8 | 12% | 0.12 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.4 | 14.8 | -175.2 | -67.2 | -47.2 | 0 | 0 | 0 | 114 | N1690 M1693 C1777 D1782 L1786 S1787 | N1690-H1784 PolarHBondContact OD1-NE2 3.36Å; M1693-H1784 HydrophobicContact CE-CB 3.66Å; C1777-H1784 VanDerWaalsContact SG-CD2 3.58Å; D1782-H1784 PolarHBondContact O-N 3.05Å; H1784-L1786 VanDerWaalsContact C-N 3.27Å; H1784-L1786 PolarHBondContact O-N 3.34Å; H1784-L1786 VanDerWaalsContact O-N 3.07Å; H1784-S1787 VanDerWaalsContact O-CB 3.28Å; H1784-S1787 WeakPolarHBondContact O-CB 3.28Å; H1784-S1787 PolarHBondContact O-N 3.46Å; H1784-S1787 PolarHBondContact O-OG 3.08Å |
| 1785 | N | 81.7 | Confident | 83.3 | Confident | 51 Ų | 51 | 25.3 Ų | 25.3 | 27% | 0.273 | 14% | 0.137 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.7 | -32.6 | -175.6 | -77.2 | -10.2 | 0 | 0 | 0 | 115.2 | D1782 S1787 I1788 K1825 | D1782-N1785 WeakPolarHBondContact CA-OD1 3.42Å; D1782-N1785 WeakPolarHBondContact O-CB 3.28Å; D1782-N1785 PolarHBondContact O-N 2.93Å; D1782-N1785 PolarHBondContact O-ND2 3.32Å; D1782-N1785 PolarHBondContact O-OD1 3.46Å; N1785-S1787 PolarHBondContact O-N 3.38Å; N1785-I1788 VanDerWaalsContact O-CB 3.3Å; N1785-I1788 WeakPolarHBondContact O-CB 3.48Å; N1785-I1788 WeakPolarHBondContact O-CG2 3.34Å; N1785-I1788 PolarHBondContact O-N 3.48Å; N1785-I1788 VanDerWaalsContact O-N 3.13Å; N1785-K1825 WeakPolarHBondContact OD1-CD 3.49Å; N1785-K1825 WeakPolarHBondContact OD1-CE 3.21Å; N1785-K1825 PolarHBondContact OD1-NZ 3.15Å; N1785-K1825 VanDerWaalsContact OD1-NZ 3.1Å |
| 1786 | L | 79.6 | Confident | 82.7 | Confident | 33 Ų | 33 | 25.9 Ų | 25.9 | 17% | 0.173 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -18 | 175.8 | -66.6 | -173.5 | 0 | 0 | 0 | 113.8 | H1784 I1788 F1789 C2072 L2073 K2076 V2303 | H1784-L1786 VanDerWaalsContact C-N 3.27Å; H1784-L1786 PolarHBondContact O-N 3.34Å; H1784-L1786 VanDerWaalsContact O-N 3.07Å; L1786-I1788 PolarHBondContact O-N 2.95Å; L1786-F1789 HydrophobicContact CD2-CD2 4.26Å; L1786-F1789 HydrophobicContact CD2-CE2 3.91Å; L1786-F1789 WeakPolarHBondContact O-CD2 3.42Å; L1786-F1789 PolarHBondContact O-N 3.45Å; L1786-C2072 HydrophobicContact CD2-CB 4.16Å; L1786-L2073 HydrophobicContact CD1-CD2 3.83Å; L1786-L2073 HydrophobicContact CD1-CG 4.44Å; L1786-K2076 HydrophobicContact CD1-CB 4.41Å; L1786-K2076 HydrophobicContact CD1-CD 3.84Å; L1786-K2076 HydrophobicContact CG-CD 4.35Å; L1786-V2303 HydrophobicContact CB-CG2 4.43Å |
| 1787 | S | 82.8 | Confident | 82.1 | Confident | 19 Ų | 19 | 26.3 Ų | 26.3 | 13% | 0.133 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -70.4 | -10.3 | 174.4 | -58.3 | 0 | 0 | 0 | 0 | 113 | M1693 H1784 N1785 F1789 R1790 F1791 | M1693-S1787 WeakPolarHBondContact CE-OG 3.45Å; H1784-S1787 VanDerWaalsContact O-CB 3.28Å; H1784-S1787 WeakPolarHBondContact O-CB 3.28Å; H1784-S1787 PolarHBondContact O-N 3.46Å; H1784-S1787 PolarHBondContact O-OG 3.08Å; N1785-S1787 PolarHBondContact O-N 3.38Å; S1787-F1789 PolarHBondContact O-N 3.37Å; S1787-R1790 PolarHBondContact O-N 3.44Å; S1787-F1791 VanDerWaalsContact O-CB 3.28Å; S1787-F1791 WeakPolarHBondContact O-CB 3.41Å; S1787-F1791 PolarHBondContact O-N 3.19Å |
| 1788 | I | 86.6 | Confident | 81.5 | Confident | 2 Ų | 2 | 26.4 Ų | 26.4 | 1% | 0.01 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -57 | -34.1 | 169 | -158.6 | 70.1 | 0 | 0 | 0 | 111.8 | L1778 N1785 L1786 F1791 I1792 K1825 F1826 L1829 | L1778-I1788 HydrophobicContact CD1-CB 4.49Å; L1778-I1788 HydrophobicContact CD1-CD1 3.81Å; L1778-I1788 HydrophobicContact CD2-CB 4.41Å; N1785-I1788 VanDerWaalsContact O-CB 3.3Å; N1785-I1788 WeakPolarHBondContact O-CB 3.48Å; N1785-I1788 WeakPolarHBondContact O-CG2 3.34Å; N1785-I1788 PolarHBondContact O-N 3.48Å; N1785-I1788 VanDerWaalsContact O-N 3.13Å; L1786-I1788 PolarHBondContact O-N 2.95Å; I1788-F1791 HydrophobicContact CD1-CD1 4.08Å; I1788-I1792 WeakPolarHBondContact O-CB 3.41Å; I1788-I1792 VanDerWaalsContact O-CG1 3.3Å; I1788-I1792 WeakPolarHBondContact O-CG1 3.47Å; I1788-I1792 PolarHBondContact O-N 3.32Å; I1788-K1825 HydrophobicContact CD1-CB 4.31Å; I1788-F1826 HydrophobicContact CD1-CD1 3.94Å; I1788-F1826 HydrophobicContact CD1-CE1 3.72Å; I1788-F1826 HydrophobicContact CD1-CE2 4.42Å; I1788-F1826 HydrophobicContact CD1-CG 4.4Å; I1788-F1826 HydrophobicContact CD1-CZ 3.98Å; I1788-F1826 HydrophobicContact CG1-CD1 4.19Å; I1788-F1826 HydrophobicContact CG1-CE1 4.42Å; I1788-L1829 HydrophobicContact CG1-CD1 4.41Å; I1788-L1829 HydrophobicContact CG2-CD1 4.28Å |
| 1789 | F | 82.8 | Confident | 80.6 | Confident | 6 Ų | 6 | 27.7 Ų | 27.7 | 3% | 0.026 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -65.3 | -52.6 | 177.2 | -69.7 | -78.5 | 0 | 0 | 0 | 110.6 | L1786 S1787 F1791 I1792 S1793 P1828 L1829 V2303 T2306 L2307 | L1786-F1789 HydrophobicContact CD2-CD2 4.26Å; L1786-F1789 HydrophobicContact CD2-CE2 3.91Å; L1786-F1789 WeakPolarHBondContact O-CD2 3.42Å; L1786-F1789 PolarHBondContact O-N 3.45Å; S1787-F1789 PolarHBondContact O-N 3.37Å; F1789-F1791 PolarHBondContact O-N 3.11Å; F1789-I1792 PolarHBondContact O-N 3.49Å; F1789-S1793 WeakPolarHBondContact O-CB 3.4Å; F1789-S1793 PolarHBondContact O-N 2.92Å; F1789-P1828 HydrophobicContact CE1-CB 4.27Å; F1789-P1828 HydrophobicContact CE2-CB 4.37Å; F1789-P1828 HydrophobicContact CZ-CB 3.59Å; F1789-P1828 HydrophobicContact CZ-CG 4.44Å; F1789-L1829 HydrophobicContact CD1-CD1 4.17Å; F1789-L1829 HydrophobicContact CD1-CD2 3.72Å; F1789-L1829 HydrophobicContact CD1-CG 4.06Å; F1789-L1829 HydrophobicContact CE1-CD1 4.4Å; F1789-L1829 HydrophobicContact CE1-CD2 3.67Å; F1789-L1829 HydrophobicContact CE1-CG 3.87Å; F1789-V2303 HydrophobicContact CB-CG1 4.47Å; F1789-V2303 HydrophobicContact CB-CG2 4.24Å; F1789-V2303 HydrophobicContact CD1-CG1 4.34Å; F1789-V2303 HydrophobicContact CD2-CB 4.45Å; F1789-V2303 HydrophobicContact CD2-CG1 3.67Å; F1789-V2303 HydrophobicContact CD2-CG2 4.18Å; F1789-V2303 HydrophobicContact CE2-CG1 3.9Å; F1789-V2303 HydrophobicContact CG-CB 4.48Å; F1789-V2303 HydrophobicContact CG-CG1 3.91Å; F1789-V2303 HydrophobicContact CG-CG2 4.42Å; F1789-V2303 HydrophobicContact CZ-CG1 4.33Å; F1789-T2306 HydrophobicContact CB-CG2 4.13Å; F1789-T2306 HydrophobicContact CD1-CG2 4.16Å; F1789-T2306 WeakPolarHBondContact O-CG2 3.39Å; F1789-L2307 HydrophobicContact CD1-CG 4.19Å; F1789-L2307 HydrophobicContact CE1-CD1 4.08Å; F1789-L2307 HydrophobicContact CE1-CD2 3.7Å; F1789-L2307 HydrophobicContact CE1-CG 3.74Å; F1789-L2307 HydrophobicContact CZ-CD1 4.43Å; F1789-L2307 HydrophobicContact CZ-CD2 4.47Å |
| 1790 | R | 81.7 | Confident | 79.3 | Confident | 38 Ų | 38 | 30.3 Ų | 30.3 | 14% | 0.143 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -63.6 | -42.5 | 179.5 | -171.1 | 66.1 | -174 | -179.1 | 7.7 | 112.1 | D1700 T1704 Y1774 S1787 I1792 S1793 L1794 D2302 | D1700-R1790 IonicContact OD1-CZ 3.92Å; D1700-R1790 IonicContact OD1-NE 2.65Å; D1700-R1790 PolarHBondContact OD1-NE 3.03Å; D1700-R1790 IonicContact OD1-NH2 2.74Å; D1700-R1790 PolarHBondContact OD1-NH2 3.5Å; D1700-R1790 VanDerWaalsContact OD2-CG 3.27Å; D1700-R1790 WeakPolarHBondContact OD2-CG 3.38Å; D1700-R1790 IonicContact OD2-CZ 2.82Å; D1700-R1790 IonicContact OD2-NE 2.91Å; D1700-R1790 PolarHBondContact OD2-NE 3.48Å; D1700-R1790 IonicContact OD2-NH2 2.81Å; D1700-R1790 PolarHBondContact OD2-NH2 3.01Å; T1704-R1790 PolarHBondContact OG1-NH2 3.35Å; Y1774-R1790 HydrophobicContact CE2-CG 4.14Å; S1787-R1790 PolarHBondContact O-N 3.44Å; R1790-I1792 PolarHBondContact O-N 3.16Å; R1790-S1793 PolarHBondContact O-N 2.82Å; R1790-L1794 HydrophobicContact CG-CD1 4.36Å; R1790-L1794 WeakPolarHBondContact O-CG 3.46Å; R1790-L1794 PolarHBondContact O-N 2.98Å; R1790-D2302 IonicContact CZ-OD1 2.68Å; R1790-D2302 IonicContact NH1-OD1 2.79Å; R1790-D2302 PolarHBondContact NH1-OD1 3.01Å; R1790-D2302 IonicContact NH1-OD2 3.21Å |
| 1791 | F | 87.2 | Confident | 78.3 | Confident | 1 Ų | 1 | 28 Ų | 28 | 0% | 0.004 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -55.3 | -47.4 | 173.8 | 174.6 | -113.5 | 0 | 0 | 0 | 112.8 | I1771 A1775 L1778 S1787 I1788 F1789 W1795 M1814 I1821 | I1771-F1791 HydrophobicContact CG2-CD2 4.4Å; I1771-F1791 HydrophobicContact CG2-CE2 3.9Å; I1771-F1791 WeakPolarHBondContact O-CE2 3.21Å; A1775-F1791 HydrophobicContact CB-CE2 3.74Å; A1775-F1791 HydrophobicContact CB-CZ 3.93Å; L1778-F1791 HydrophobicContact CD1-CB 4.08Å; L1778-F1791 HydrophobicContact CD1-CD1 4.1Å; L1778-F1791 HydrophobicContact CD1-CG 4.08Å; S1787-F1791 VanDerWaalsContact O-CB 3.28Å; S1787-F1791 WeakPolarHBondContact O-CB 3.41Å; S1787-F1791 PolarHBondContact O-N 3.19Å; I1788-F1791 HydrophobicContact CD1-CD1 4.08Å; F1789-F1791 PolarHBondContact O-N 3.11Å; F1791-W1795 PolarHBondContact O-N 3.2Å; F1791-M1814 HydrophobicContact CD1-CE 4.12Å; F1791-M1814 HydrophobicContact CD2-CE 4.24Å; F1791-M1814 HydrophobicContact CE1-CE 3.56Å; F1791-M1814 HydrophobicContact CE1-SD 4.01Å; F1791-M1814 HydrophobicContact CE2-CE 3.69Å; F1791-M1814 HydrophobicContact CE2-SD 4.26Å; F1791-M1814 HydrophobicContact CG-CE 4.45Å; F1791-M1814 HydrophobicContact CZ-CE 3.33Å; F1791-M1814 HydrophobicContact CZ-SD 3.54Å; F1791-M1814 VanDerWaalsContact CZ-SD 3.54Å; F1791-I1821 HydrophobicContact CE1-CD1 3.63Å; F1791-I1821 HydrophobicContact CZ-CD1 3.67Å |
| 1792 | I | 84.7 | Confident | 77.4 | Confident | 3 Ų | 3 | 36.4 Ų | 36.4 | 2% | 0.015 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -71.2 | -37.7 | 176.3 | -69.5 | -68.7 | 0 | 0 | 0 | 111.7 | I1788 F1789 R1790 W1795 L1796 F1826 L1829 L1833 | I1788-I1792 WeakPolarHBondContact O-CB 3.41Å; I1788-I1792 VanDerWaalsContact O-CG1 3.3Å; I1788-I1792 WeakPolarHBondContact O-CG1 3.47Å; I1788-I1792 PolarHBondContact O-N 3.32Å; F1789-I1792 PolarHBondContact O-N 3.49Å; R1790-I1792 PolarHBondContact O-N 3.16Å; I1792-W1795 HydrophobicContact CD1-CE3 3.82Å; I1792-W1795 HydrophobicContact CD1-CZ3 4.1Å; I1792-W1795 PolarHBondContact O-N 2.88Å; I1792-L1796 HydrophobicContact CG2-CD1 3.63Å; I1792-L1796 HydrophobicContact CG2-CG 4.03Å; I1792-L1796 WeakPolarHBondContact O-CB 2.77Å; I1792-L1796 VanDerWaalsContact O-CG 3.27Å; I1792-L1796 WeakPolarHBondContact O-CG 3.11Å; I1792-L1796 PolarHBondContact O-N 3.42Å; I1792-F1826 HydrophobicContact CD1-CD1 4.39Å; I1792-F1826 HydrophobicContact CD1-CE1 4.18Å; I1792-L1829 HydrophobicContact CB-CD1 4.02Å; I1792-L1829 HydrophobicContact CG1-CD1 3.84Å; I1792-L1829 HydrophobicContact CG2-CD1 4.19Å; I1792-L1833 HydrophobicContact CG2-CD2 4.45Å |
| 1793 | S | 80 | Confident | 76.8 | Confident | 8 Ų | 8 | 37 Ų | 37 | 6% | 0.056 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -60.5 | -47 | 176.1 | -175.8 | 0 | 0 | 0 | 0 | 111.7 | F1789 R1790 W1795 L1796 S1797 T2306 Q2309 | F1789-S1793 WeakPolarHBondContact O-CB 3.4Å; F1789-S1793 PolarHBondContact O-N 2.92Å; R1790-S1793 PolarHBondContact O-N 2.82Å; S1793-W1795 PolarHBondContact O-N 3.07Å; S1793-L1796 PolarHBondContact O-N 3.16Å; S1793-S1797 VanDerWaalsContact O-CB 3.3Å; S1793-S1797 WeakPolarHBondContact O-CB 3.34Å; S1793-S1797 PolarHBondContact O-N 3.01Å; S1793-T2306 WeakPolarHBondContact CB-OG1 3.27Å; S1793-Q2309 PolarHBondContact OG-OE1 2.93Å |
| 1794 | L | 82.7 | Confident | 76.5 | Confident | 4 Ų | 4 | 36.9 Ų | 36.9 | 2% | 0.021 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -58.8 | -47.4 | 176.3 | -71.3 | 171.6 | 0 | 0 | 0 | 111.5 | F1703 L1767 I1771 Y1774 R1790 S1797 S1798 | F1703-L1794 HydrophobicContact CD1-CD2 3.76Å; F1703-L1794 HydrophobicContact CE1-CD2 3.67Å; L1767-L1794 HydrophobicContact CD1-CB 4.23Å; L1767-L1794 HydrophobicContact CD1-CD2 4.11Å; I1771-L1794 HydrophobicContact CD1-CB 3.93Å; I1771-L1794 HydrophobicContact CG1-CB 4.07Å; I1771-L1794 HydrophobicContact CG1-CD1 4.31Å; Y1774-L1794 HydrophobicContact CD2-CD1 4.15Å; Y1774-L1794 HydrophobicContact CE2-CD1 3.97Å; R1790-L1794 HydrophobicContact CG-CD1 4.36Å; R1790-L1794 WeakPolarHBondContact O-CG 3.46Å; R1790-L1794 PolarHBondContact O-N 2.98Å; L1794-S1797 PolarHBondContact O-N 2.83Å; L1794-S1797 PolarHBondContact O-OG 3.14Å; L1794-S1798 PolarHBondContact O-N 2.73Å |
| 1795 | W | 84.7 | Confident | 76.2 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60.6 | -50.8 | 176.2 | 177.2 | 45.5 | 0 | 0 | 0 | 112.5 | F1791 I1792 S1793 S1797 S1798 N1811 M1814 L1833 F1847 I1850 | F1791-W1795 PolarHBondContact O-N 3.2Å; I1792-W1795 HydrophobicContact CD1-CE3 3.82Å; I1792-W1795 HydrophobicContact CD1-CZ3 4.1Å; I1792-W1795 PolarHBondContact O-N 2.88Å; S1793-W1795 PolarHBondContact O-N 3.07Å; W1795-S1797 PolarHBondContact O-N 2.86Å; W1795-S1798 WeakPolarHBondContact O-CB 3.4Å; W1795-S1798 PolarHBondContact O-N 2.71Å; W1795-S1798 PolarHBondContact O-OG 2.86Å; W1795-N1811 PolarHBondContact NE1-OD1 2.87Å; W1795-M1814 HydrophobicContact CB-CE 3.5Å; W1795-M1814 HydrophobicContact CD2-CE 3.79Å; W1795-M1814 HydrophobicContact CD2-CG 4.13Å; W1795-M1814 HydrophobicContact CD2-SD 4.47Å; W1795-M1814 HydrophobicContact CE3-CE 4.07Å; W1795-M1814 HydrophobicContact CG-CE 3.58Å; W1795-M1814 HydrophobicContact CG-CG 4.04Å; W1795-L1833 HydrophobicContact CZ3-CD2 4.48Å; W1795-F1847 HydrophobicContact CD2-CE2 4.3Å; W1795-F1847 AromaticContact CE2-CD2 3.76Å; W1795-F1847 AromaticContact CE2-CE2 3.74Å; W1795-F1847 HydrophobicContact CE3-CE2 4.39Å; W1795-F1847 AromaticContact CH2-CD2 3.96Å; W1795-F1847 HydrophobicContact CH2-CD2 3.96Å; W1795-F1847 AromaticContact CH2-CE2 3.49Å; W1795-F1847 HydrophobicContact CH2-CE2 3.49Å; W1795-F1847 VanDerWaalsContact CH2-CE2 3.49Å; W1795-F1847 HydrophobicContact CH2-CZ 4.42Å; W1795-F1847 AromaticContact CZ2-CD2 3.35Å; W1795-F1847 HydrophobicContact CZ2-CD2 3.35Å; W1795-F1847 AromaticContact CZ2-CE2 3.33Å; W1795-F1847 HydrophobicContact CZ2-CE2 3.33Å; W1795-F1847 HydrophobicContact CZ3-CE2 4.02Å; W1795-I1850 HydrophobicContact CH2-CG2 4.08Å; W1795-I1850 HydrophobicContact CZ2-CB 4.42Å; W1795-I1850 HydrophobicContact CZ2-CG2 3.95Å |
| 1796 | L | 77.1 | Confident | 76.2 | Confident | 13 Ų | 13 | 39.3 Ų | 39.3 | 7% | 0.068 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -64.8 | -27.6 | 179.7 | -66.5 | 179.1 | 0 | 0 | 0 | 112.7 | I1792 S1793 I1799 F1847 | I1792-L1796 HydrophobicContact CG2-CD1 3.63Å; I1792-L1796 HydrophobicContact CG2-CG 4.03Å; I1792-L1796 WeakPolarHBondContact O-CB 2.77Å; I1792-L1796 VanDerWaalsContact O-CG 3.27Å; I1792-L1796 WeakPolarHBondContact O-CG 3.11Å; I1792-L1796 PolarHBondContact O-N 3.42Å; S1793-L1796 PolarHBondContact O-N 3.16Å; L1796-I1799 HydrophobicContact CD2-CD1 3.9Å; L1796-F1847 HydrophobicContact CD2-CE2 3.99Å; L1796-F1847 HydrophobicContact CD2-CZ 3.94Å |
| 1797 | S | 74.3 | Confident | 75.9 | Confident | 56 Ų | 56 | 38.4 Ų | 38.4 | 39% | 0.392 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -71.6 | -28 | 174 | 82.2 | 0 | 0 | 0 | 0 | 113.2 | S1793 L1794 W1795 I1799 | S1793-S1797 VanDerWaalsContact O-CB 3.3Å; S1793-S1797 WeakPolarHBondContact O-CB 3.34Å; S1793-S1797 PolarHBondContact O-N 3.01Å; L1794-S1797 PolarHBondContact O-N 2.83Å; L1794-S1797 PolarHBondContact O-OG 3.14Å; W1795-S1797 PolarHBondContact O-N 2.86Å; S1797-I1799 VanDerWaalsContact C-N 3.32Å; S1797-I1799 PolarHBondContact O-N 3.49Å |
| 1798 | S | 73.9 | Confident | 75.7 | Confident | 1 Ų | 1 | 41.5 Ų | 41.5 | 1% | 0.007 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -69.3 | -29.6 | -178.8 | 75.5 | 0 | 0 | 0 | 0 | 113.4 | L1794 W1795 S1801 | L1794-S1798 PolarHBondContact O-N 2.73Å; W1795-S1798 WeakPolarHBondContact O-CB 3.4Å; W1795-S1798 PolarHBondContact O-N 2.71Å; W1795-S1798 PolarHBondContact O-OG 2.86Å; S1798-S1801 WeakPolarHBondContact O-CB 3.16Å; S1798-S1801 PolarHBondContact O-N 3.02Å; S1798-S1801 PolarHBondContact O-OG 2.73Å |
| 1799 | I | 68.8 | Low | 75.4 | Confident | 28 Ų | 28 | 45.2 Ų | 45.2 | 14% | 0.144 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -63.4 | -50.6 | -178.9 | -52.5 | 168.4 | 0 | 0 | 0 | 110.5 | L1796 S1797 S1801 F1847 | L1796-I1799 HydrophobicContact CD2-CD1 3.9Å; S1797-I1799 VanDerWaalsContact C-N 3.32Å; S1797-I1799 PolarHBondContact O-N 3.49Å; I1799-S1801 PolarHBondContact O-N 3.45Å; I1799-F1847 HydrophobicContact CD1-CD1 4.33Å; I1799-F1847 HydrophobicContact CD1-CD2 3.59Å; I1799-F1847 HydrophobicContact CD1-CE1 4.13Å; I1799-F1847 HydrophobicContact CD1-CE2 3.34Å; I1799-F1847 HydrophobicContact CD1-CG 4.1Å; I1799-F1847 HydrophobicContact CD1-CZ 3.64Å; I1799-F1847 HydrophobicContact CG1-CD2 4.3Å; I1799-F1847 HydrophobicContact CG1-CE2 4.45Å |
| 1800 | N | 61.8 | Low | 75.5 | Confident | 103 Ų | 103 | 44.9 Ų | 44.9 | 55% | 0.551 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.9 | 11.8 | -177.7 | -65.1 | 8.5 | 0 | 0 | 0 | 113.1 | F2313 | N1800-F2313 VanDerWaalsContact ND2-CE1 3.3Å; N1800-F2313 WeakPolarHBondContact ND2-CE1 3.48Å; N1800-F2313 WeakPolarHBondContact ND2-CZ 3.39Å |
| 1801 | S | 63.1 | Low | 75.7 | Confident | 29 Ų | 29 | 43.4 Ų | 43.4 | 20% | 0.203 | 24% | 0.238 | C | C | . | . | trans | -77.2 | 146.1 | -175.7 | 78.3 | 0 | 0 | 0 | 0 | 111.9 | S1798 I1799 F1803 | S1798-S1801 WeakPolarHBondContact O-CB 3.16Å; S1798-S1801 PolarHBondContact O-N 3.02Å; S1798-S1801 PolarHBondContact O-OG 2.73Å; I1799-S1801 PolarHBondContact O-N 3.45Å; S1801-F1803 PolarHBondContact O-N 3.15Å | ||
| 1802 | K | 63 | Low | 75.6 | Confident | 196 Ų | 196 | 49.5 Ų | 49.5 | 85% | 0.852 | 27% | 0.265 | S | S | * | . | S | Bend | trans | -67.5 | 2.8 | 177.9 | -63.4 | -178.4 | 179.9 | 176.8 | 0 | 114.1 | ||
| 1803 | F | 67.5 | Low | 75.5 | Confident | 47 Ų | 47 | 50.6 Ų | 50.6 | 21% | 0.206 | 27% | 0.27 | C | S | . | . | trans | -118.7 | 94.8 | -170.9 | -58.7 | -76 | 0 | 0 | 0 | 109.6 | T1760 S1801 N1805 R1806 | T1760-F1803 HydrophobicContact CG2-CD1 4.39Å; T1760-F1803 HydrophobicContact CG2-CE1 3.82Å; T1760-F1803 HydrophobicContact CG2-CZ 4.19Å; S1801-F1803 PolarHBondContact O-N 3.15Å; F1803-N1805 VanDerWaalsContact C-N 3.26Å; F1803-N1805 PolarHBondContact O-N 3.32Å; F1803-N1805 VanDerWaalsContact O-N 3.1Å; F1803-R1806 HydrophobicContact CB-CB 4.45Å; F1803-R1806 WeakPolarHBondContact O-CB 3.24Å; F1803-R1806 PolarHBondContact O-N 3.44Å | ||
| 1804 | P | 64.4 | Low | 75.8 | Confident | 111 Ų | 111 | 50.3 Ų | 50.3 | 72% | 0.721 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -62.5 | -27.3 | -165 | 22.2 | -33.7 | 0 | 0 | 0 | 114.6 | R1806 | P1804-R1806 VanDerWaalsContact C-N 3.27Å; P1804-R1806 PolarHBondContact O-N 2.68Å |
| 1805 | N | 72.9 | Confident | 76 | Confident | 123 Ų | 123 | 53.2 Ų | 53.2 | 66% | 0.658 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -68 | -25.9 | 178.3 | -67.5 | -13.2 | 0 | 0 | 0 | 113.1 | F1803 S1808 K1809 | F1803-N1805 VanDerWaalsContact C-N 3.26Å; F1803-N1805 PolarHBondContact O-N 3.32Å; F1803-N1805 VanDerWaalsContact O-N 3.1Å; N1805-S1808 PolarHBondContact O-N 3.44Å; N1805-K1809 PolarHBondContact O-N 2.93Å |
| 1806 | R | 79.6 | Confident | 76.1 | Confident | 4 Ų | 4 | 58.8 Ų | 58.8 | 2% | 0.015 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -65.5 | -48.6 | -174.1 | -174.2 | 178 | -75.7 | -178.3 | -4.7 | 111.7 | N1707 D1764 L1767 F1803 P1804 S1808 K1809 M1810 | N1707-R1806 PolarHBondContact OD1-NH1 3.24Å; D1764-R1806 IonicContact OD1-CZ 3.33Å; D1764-R1806 IonicContact OD1-NE 3.28Å; D1764-R1806 PolarHBondContact OD1-NE 3.07Å; D1764-R1806 IonicContact OD1-NH2 2.92Å; D1764-R1806 PolarHBondContact OD1-NH2 3.05Å; L1767-R1806 HydrophobicContact CD2-CG 3.8Å; F1803-R1806 HydrophobicContact CB-CB 4.45Å; F1803-R1806 WeakPolarHBondContact O-CB 3.24Å; F1803-R1806 PolarHBondContact O-N 3.44Å; P1804-R1806 VanDerWaalsContact C-N 3.27Å; P1804-R1806 PolarHBondContact O-N 2.68Å; R1806-S1808 VanDerWaalsContact C-N 3.31Å; R1806-S1808 PolarHBondContact O-N 3.26Å; R1806-K1809 PolarHBondContact O-N 3.47Å; R1806-M1810 WeakPolarHBondContact O-CG 3.36Å; R1806-M1810 PolarHBondContact O-N 2.91Å |
| 1807 | A | 73.9 | Confident | 76.5 | Confident | 15 Ų | 15 | 62.3 Ų | 62.3 | 12% | 0.124 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -60.4 | -39.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | M1810 N1811 | A1807-M1810 PolarHBondContact O-N 2.95Å; A1807-N1811 WeakPolarHBondContact O-CB 3.2Å; A1807-N1811 PolarHBondContact O-N 2.98Å; A1807-N1811 PolarHBondContact O-ND2 3.32Å |
| 1808 | S | 78.9 | Confident | 77.1 | Confident | 84 Ų | 84 | 60.4 Ų | 60.4 | 59% | 0.587 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -61.9 | -49.3 | 177.3 | -175.8 | 0 | 0 | 0 | 0 | 112.3 | N1805 R1806 M1810 K1812 | N1805-S1808 PolarHBondContact O-N 3.44Å; R1806-S1808 VanDerWaalsContact C-N 3.31Å; R1806-S1808 PolarHBondContact O-N 3.26Å; S1808-M1810 PolarHBondContact O-N 2.88Å; S1808-K1812 PolarHBondContact O-N 2.96Å |
| 1809 | K | 80.8 | Confident | 77.7 | Confident | 79 Ų | 79 | 64.5 Ų | 64.5 | 34% | 0.343 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -57.3 | -48 | 174.6 | -77.1 | 175.1 | 145.2 | -142.3 | 0 | 112 | E1768 N1805 R1806 K1812 I1813 | E1768-K1809 WeakPolarHBondContact OE1-CD 3.32Å; E1768-K1809 WeakPolarHBondContact OE1-CE 3.18Å; E1768-K1809 IonicContact OE1-NZ 2.7Å; E1768-K1809 PolarHBondContact OE1-NZ 3.09Å; E1768-K1809 IonicContact OE2-NZ 3.74Å; E1768-K1809 PolarHBondContact OE2-NZ 3.31Å; N1805-K1809 PolarHBondContact O-N 2.93Å; R1806-K1809 PolarHBondContact O-N 3.47Å; K1809-K1812 WeakPolarHBondContact O-CB 2.94Å; K1809-K1812 PolarHBondContact O-N 3.48Å; K1809-I1813 PolarHBondContact O-N 3.21Å |
| 1810 | M | 84.8 | Confident | 78.6 | Confident | 0 Ų | 0 | 66.5 Ų | 66.5 | 0% | 0 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -66.1 | -42 | -177.3 | -65.1 | -54.4 | 129.2 | 0 | 0 | 113.2 | L1767 E1768 I1771 R1806 A1807 S1808 K1812 I1813 M1814 | L1767-M1810 HydrophobicContact CB-CE 4.19Å; L1767-M1810 HydrophobicContact CD2-CE 3.83Å; L1767-M1810 HydrophobicContact CD2-CG 4.19Å; L1767-M1810 HydrophobicContact CD2-SD 4.01Å; L1767-M1810 HydrophobicContact CG-CE 3.72Å; L1767-M1810 HydrophobicContact CG-SD 3.82Å; E1768-M1810 HydrophobicContact CB-CE 4.35Å; E1768-M1810 HydrophobicContact CG-CE 3.45Å; E1768-M1810 VanDerWaalsContact CG-CE 3.45Å; I1771-M1810 HydrophobicContact CD1-CG 4.41Å; I1771-M1810 HydrophobicContact CD1-SD 3.48Å; I1771-M1810 WeakPolarHBondContact CD1-SD 3.29Å; R1806-M1810 WeakPolarHBondContact O-CG 3.36Å; R1806-M1810 PolarHBondContact O-N 2.91Å; A1807-M1810 PolarHBondContact O-N 2.95Å; S1808-M1810 PolarHBondContact O-N 2.88Å; M1810-K1812 VanDerWaalsContact C-N 3.28Å; M1810-K1812 PolarHBondContact O-N 3.47Å; M1810-I1813 HydrophobicContact CE-CD1 4.44Å; M1810-I1813 PolarHBondContact O-N 3.3Å; M1810-M1814 WeakPolarHBondContact O-CB 3.48Å; M1810-M1814 PolarHBondContact O-N 3.16Å |
| 1811 | N | 84.8 | Confident | 79.9 | Confident | 7 Ų | 7 | 61.6 Ų | 61.6 | 4% | 0.037 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -64.5 | -33.1 | 176.5 | -73.7 | -19.6 | 0 | 0 | 0 | 112 | W1795 A1807 S1815 S1846 I1850 | W1795-N1811 PolarHBondContact NE1-OD1 2.87Å; A1807-N1811 WeakPolarHBondContact O-CB 3.2Å; A1807-N1811 PolarHBondContact O-N 2.98Å; A1807-N1811 PolarHBondContact O-ND2 3.32Å; N1811-S1815 WeakPolarHBondContact O-CB 3.2Å; N1811-S1815 PolarHBondContact O-N 3.01Å; N1811-S1846 PolarHBondContact ND2-OG 3.12Å; N1811-I1850 HydrophobicContact CB-CD1 3.99Å; N1811-I1850 WeakPolarHBondContact O-CD1 3.27Å |
| 1812 | K | 84.9 | Confident | 81.2 | Confident | 129 Ų | 129 | 64.2 Ų | 64.2 | 56% | 0.561 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -62.8 | -54.9 | 172.6 | -173.9 | -177 | 169 | -174 | 0 | 111.5 | S1808 K1809 M1810 M1814 S1815 E1816 | S1808-K1812 PolarHBondContact O-N 2.96Å; K1809-K1812 WeakPolarHBondContact O-CB 2.94Å; K1809-K1812 PolarHBondContact O-N 3.48Å; M1810-K1812 VanDerWaalsContact C-N 3.28Å; M1810-K1812 PolarHBondContact O-N 3.47Å; K1812-M1814 VanDerWaalsContact C-N 3.29Å; K1812-M1814 PolarHBondContact O-N 2.99Å; K1812-S1815 PolarHBondContact O-N 3.01Å; K1812-S1815 PolarHBondContact O-OG 3.17Å; K1812-E1816 WeakPolarHBondContact CE-OE1 2.96Å; K1812-E1816 IonicContact NZ-OE1 3.92Å; K1812-E1816 PolarHBondContact O-N 3.12Å; K1812-E1816 VanDerWaalsContact O-N 3.17Å |
| 1813 | I | 84.3 | Confident | 82.4 | Confident | 25 Ų | 25 | 55.1 Ų | 55.1 | 13% | 0.128 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -57 | -43.9 | 179.4 | -65.9 | 162.9 | 0 | 0 | 0 | 110.8 | E1768 I1771 K1809 M1810 S1815 E1816 R1817 | E1768-I1813 HydrophobicContact CB-CD1 4.11Å; E1768-I1813 HydrophobicContact CG-CD1 3.86Å; I1771-I1813 HydrophobicContact CG2-CG2 4.04Å; K1809-I1813 PolarHBondContact O-N 3.21Å; M1810-I1813 HydrophobicContact CE-CD1 4.44Å; M1810-I1813 PolarHBondContact O-N 3.3Å; I1813-S1815 PolarHBondContact O-N 3.47Å; I1813-E1816 PolarHBondContact O-N 3.11Å; I1813-R1817 HydrophobicContact CG2-CG 4.3Å; I1813-R1817 PolarHBondContact O-N 2.95Å |
| 1814 | M | 85.8 | Confident | 83.5 | Confident | 2 Ų | 2 | 53.7 Ų | 53.7 | 1% | 0.01 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -58.7 | -44.2 | 174.4 | -84.3 | -67.3 | -171.3 | 0 | 0 | 112.6 | F1791 W1795 M1810 K1812 E1816 R1817 L1818 I1850 | F1791-M1814 HydrophobicContact CD1-CE 4.12Å; F1791-M1814 HydrophobicContact CD2-CE 4.24Å; F1791-M1814 HydrophobicContact CE1-CE 3.56Å; F1791-M1814 HydrophobicContact CE1-SD 4.01Å; F1791-M1814 HydrophobicContact CE2-CE 3.69Å; F1791-M1814 HydrophobicContact CE2-SD 4.26Å; F1791-M1814 HydrophobicContact CG-CE 4.45Å; F1791-M1814 HydrophobicContact CZ-CE 3.33Å; F1791-M1814 HydrophobicContact CZ-SD 3.54Å; F1791-M1814 VanDerWaalsContact CZ-SD 3.54Å; W1795-M1814 HydrophobicContact CB-CE 3.5Å; W1795-M1814 HydrophobicContact CD2-CE 3.79Å; W1795-M1814 HydrophobicContact CD2-CG 4.13Å; W1795-M1814 HydrophobicContact CD2-SD 4.47Å; W1795-M1814 HydrophobicContact CE3-CE 4.07Å; W1795-M1814 HydrophobicContact CG-CE 3.58Å; W1795-M1814 HydrophobicContact CG-CG 4.04Å; M1810-M1814 WeakPolarHBondContact O-CB 3.48Å; M1810-M1814 PolarHBondContact O-N 3.16Å; K1812-M1814 VanDerWaalsContact C-N 3.29Å; K1812-M1814 PolarHBondContact O-N 2.99Å; M1814-E1816 PolarHBondContact O-N 3.4Å; M1814-R1817 PolarHBondContact O-N 3.37Å; M1814-L1818 WeakPolarHBondContact O-CB 3.26Å; M1814-L1818 PolarHBondContact O-N 3.34Å; M1814-I1850 HydrophobicContact CB-CD1 4.5Å |
| 1815 | S | 86.5 | Confident | 84.6 | Confident | 65 Ų | 65 | 48.8 Ų | 48.8 | 46% | 0.455 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -63.2 | -29.2 | 179.1 | 75.7 | 0 | 0 | 0 | 0 | 113.6 | N1811 K1812 I1813 | N1811-S1815 WeakPolarHBondContact O-CB 3.2Å; N1811-S1815 PolarHBondContact O-N 3.01Å; K1812-S1815 PolarHBondContact O-N 3.01Å; K1812-S1815 PolarHBondContact O-OG 3.17Å; I1813-S1815 PolarHBondContact O-N 3.47Å |
| 1816 | E | 87.2 | Confident | 85.4 | Confident | 118 Ų | 118 | 42.9 Ų | 42.9 | 55% | 0.551 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -84.5 | -35.4 | -180 | -67.9 | 173.3 | -174.6 | 0 | 0 | 112.5 | K1812 I1813 M1814 | K1812-E1816 WeakPolarHBondContact CE-OE1 2.96Å; K1812-E1816 IonicContact NZ-OE1 3.92Å; K1812-E1816 PolarHBondContact O-N 3.12Å; K1812-E1816 VanDerWaalsContact O-N 3.17Å; I1813-E1816 PolarHBondContact O-N 3.11Å; M1814-E1816 PolarHBondContact O-N 3.4Å |
| 1817 | R | 85.3 | Confident | 85.8 | Confident | 87 Ų | 87 | 43.5 Ų | 43.5 | 33% | 0.328 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -99.4 | -31.2 | -174.1 | -60.6 | -55.2 | -160.3 | 177.7 | 10.5 | 115.8 | D1772 A1775 I1813 M1814 P1819 S1820 | D1772-R1817 VanDerWaalsContact CG-NH2 3.34Å; D1772-R1817 IonicContact OD1-CZ 2.7Å; D1772-R1817 VanDerWaalsContact OD1-CZ 3.28Å; D1772-R1817 IonicContact OD1-NE 3.61Å; D1772-R1817 PolarHBondContact OD1-NE 3Å; D1772-R1817 IonicContact OD1-NH2 2.72Å; D1772-R1817 PolarHBondContact OD1-NH2 2.76Å; D1772-R1817 IonicContact OD2-CZ 2.81Å; D1772-R1817 IonicContact OD2-NE 3.91Å; D1772-R1817 IonicContact OD2-NH2 3.62Å; D1772-R1817 PolarHBondContact OD2-NH2 3.1Å; A1775-R1817 HydrophobicContact CB-CB 3.86Å; A1775-R1817 HydrophobicContact CB-CG 4.23Å; I1813-R1817 HydrophobicContact CG2-CG 4.3Å; I1813-R1817 PolarHBondContact O-N 2.95Å; M1814-R1817 PolarHBondContact O-N 3.37Å; R1817-P1819 VanDerWaalsContact C-N 3.26Å; R1817-P1819 VanDerWaalsContact O-N 3.14Å; R1817-S1820 PolarHBondContact O-N 2.73Å; R1817-S1820 PolarHBondContact O-OG 3.18Å |
| 1818 | L | 86 | Confident | 86.2 | Confident | 15 Ų | 15 | 45.4 Ų | 45.4 | 8% | 0.079 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.7 | -31.5 | -177.7 | -172.9 | 152.1 | 0 | 0 | 0 | 114.6 | M1814 S1820 I1850 L1854 R1857 | M1814-L1818 WeakPolarHBondContact O-CB 3.26Å; M1814-L1818 PolarHBondContact O-N 3.34Å; L1818-S1820 PolarHBondContact O-N 3.37Å; L1818-I1850 HydrophobicContact CD1-CG2 3.88Å; L1818-L1854 HydrophobicContact CD1-CB 4.24Å; L1818-L1854 HydrophobicContact CD1-CD1 4.23Å; L1818-L1854 HydrophobicContact CD1-CD2 4.17Å; L1818-L1854 HydrophobicContact CD1-CG 4.43Å; L1818-L1854 HydrophobicContact CD2-CB 4.37Å; L1818-L1854 HydrophobicContact CD2-CD1 4.09Å; L1818-L1854 HydrophobicContact CG-CD1 4.34Å; L1818-R1857 PolarHBondContact O-NH1 3.36Å; L1818-R1857 PolarHBondContact O-NH2 2.79Å; L1818-R1857 VanDerWaalsContact O-NH2 3.12Å |
| 1819 | P | 87.3 | Confident | 86.3 | Confident | 87 Ų | 87 | 41.4 Ų | 41.4 | 57% | 0.565 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | -34.9 | 173.2 | -27.4 | 37.2 | 0 | 0 | 0 | 115.4 | R1817 R1857 | R1817-P1819 VanDerWaalsContact C-N 3.26Å; R1817-P1819 VanDerWaalsContact O-N 3.14Å; P1819-R1857 PolarHBondContact O-NH1 2.79Å; P1819-R1857 VanDerWaalsContact O-NH1 3.08Å |
| 1820 | S | 86.9 | Confident | 86.6 | Confident | 70 Ų | 70 | 37.9 Ų | 37.9 | 49% | 0.49 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | -25.2 | -176.3 | 67.6 | 0 | 0 | 0 | 0 | 113.7 | R1817 L1818 R1822 | R1817-S1820 PolarHBondContact O-N 2.73Å; R1817-S1820 PolarHBondContact O-OG 3.18Å; L1818-S1820 PolarHBondContact O-N 3.37Å; S1820-R1822 PolarHBondContact O-N 3.04Å |
| 1821 | I | 90.3 | Very high | 86.3 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -74 | 126.2 | 174.7 | -49.3 | 174.5 | 0 | 0 | 0 | 108.7 | A1775 L1778 F1791 K1825 F1826 R1857 | A1775-I1821 HydrophobicContact CB-CD1 4.05Å; L1778-I1821 HydrophobicContact CB-CD1 4.46Å; L1778-I1821 HydrophobicContact CB-CG2 4.14Å; F1791-I1821 HydrophobicContact CE1-CD1 3.63Å; F1791-I1821 HydrophobicContact CZ-CD1 3.67Å; I1821-K1825 HydrophobicContact CG2-CD 4.33Å; I1821-F1826 HydrophobicContact CB-CE2 3.95Å; I1821-F1826 HydrophobicContact CB-CZ 4.03Å; I1821-F1826 HydrophobicContact CD1-CZ 4.26Å; I1821-F1826 HydrophobicContact CG2-CE2 3.56Å; I1821-F1826 HydrophobicContact CG2-CZ 3.8Å; I1821-R1857 VanDerWaalsContact O-CZ 3.27Å; I1821-R1857 PolarHBondContact O-NH1 2.87Å; I1821-R1857 PolarHBondContact O-NH2 3.15Å |
| 1822 | R | 89.4 | Confident | 86 | Confident | 84 Ų | 84 | 39.7 Ų | 39.7 | 32% | 0.317 | 21% | 0.21 | S | C | . | . | trans | -58.5 | 148 | 176.8 | -77.8 | 160.8 | 34.1 | -165.6 | -8.5 | 112.7 | D1782 S1820 D1824 F1826 | D1782-R1822 IonicContact OD1-CZ 2.7Å; D1782-R1822 IonicContact OD1-NH1 2.72Å; D1782-R1822 PolarHBondContact OD1-NH1 3.44Å; D1782-R1822 IonicContact OD1-NH2 3.24Å; D1782-R1822 PolarHBondContact OD1-NH2 3.34Å; D1782-R1822 IonicContact OD2-CZ 3.97Å; D1782-R1822 VanDerWaalsContact OD2-CZ 3.31Å; D1782-R1822 IonicContact OD2-NH1 2.97Å; D1782-R1822 PolarHBondContact OD2-NH1 3.19Å; D1782-R1822 IonicContact OD2-NH2 3.71Å; D1782-R1822 PolarHBondContact OD2-NH2 3.46Å; S1820-R1822 PolarHBondContact O-N 3.04Å; R1822-D1824 WeakPolarHBondContact CB-OD1 3.45Å; R1822-D1824 IonicContact CZ-OD1 2.67Å; R1822-D1824 IonicContact CZ-OD2 2.65Å; R1822-D1824 IonicContact NE-OD1 3.99Å; R1822-D1824 PolarHBondContact NE-OD1 3.49Å; R1822-D1824 IonicContact NE-OD2 3.6Å; R1822-D1824 IonicContact NH2-OD1 3.11Å; R1822-D1824 PolarHBondContact NH2-OD1 3.43Å; R1822-D1824 IonicContact NH2-OD2 3.3Å; R1822-D1824 PolarHBondContact NH2-OD2 3.19Å; R1822-D1824 PolarHBondContact O-N 3.03Å; R1822-F1826 WeakPolarHBondContact O-CD2 3.3Å; R1822-F1826 WeakPolarHBondContact O-CE2 3.49Å | ||
| 1823 | A | 89.4 | Confident | 85.9 | Confident | 6 Ų | 6 | 33.6 Ų | 33.6 | 5% | 0.05 | 18% | 0.183 | C | C | . | . | G | 310 helix | trans | -68.6 | -30.1 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114 | K1825 F1826 R1857 W1861 | A1823-K1825 VanDerWaalsContact C-N 3.27Å; A1823-K1825 PolarHBondContact O-N 3.01Å; A1823-F1826 PolarHBondContact O-N 2.78Å; A1823-R1857 HydrophobicContact CB-CG 4.35Å; A1823-W1861 HydrophobicContact CB-CB 4.29Å; A1823-W1861 HydrophobicContact CB-CG 4.43Å |
| 1824 | D | 89 | Confident | 85.8 | Confident | 16 Ų | 16 | 32.5 Ų | 32.5 | 9% | 0.086 | 18% | 0.178 | C | C | . | . | G | 310 helix | trans | -62 | -33.1 | -177.1 | 66.6 | -48.6 | 0 | 0 | 0 | 113.1 | R1822 F1826 L1827 H1862 I2004 | R1822-D1824 WeakPolarHBondContact CB-OD1 3.45Å; R1822-D1824 IonicContact CZ-OD1 2.67Å; R1822-D1824 IonicContact CZ-OD2 2.65Å; R1822-D1824 IonicContact NE-OD1 3.99Å; R1822-D1824 PolarHBondContact NE-OD1 3.49Å; R1822-D1824 IonicContact NE-OD2 3.6Å; R1822-D1824 IonicContact NH2-OD1 3.11Å; R1822-D1824 PolarHBondContact NH2-OD1 3.43Å; R1822-D1824 IonicContact NH2-OD2 3.3Å; R1822-D1824 PolarHBondContact NH2-OD2 3.19Å; R1822-D1824 PolarHBondContact O-N 3.03Å; D1824-F1826 PolarHBondContact O-N 3.48Å; D1824-L1827 HydrophobicContact CB-CD1 4.45Å; D1824-L1827 WeakPolarHBondContact O-CB 3.45Å; D1824-L1827 WeakPolarHBondContact O-CG 3.46Å; D1824-L1827 PolarHBondContact O-N 3.02Å; D1824-L1827 VanDerWaalsContact O-N 3.11Å; D1824-H1862 PolarHBondContact N-NE2 3.29Å; D1824-I2004 HydrophobicContact CB-CG2 3.93Å |
| 1825 | K | 88.5 | Confident | 85.3 | Confident | 8 Ų | 8 | 33.2 Ų | 33.2 | 4% | 0.035 | 18% | 0.182 | C | C | . | . | G | 310 helix | trans | -63.3 | -25.8 | -179.6 | -57.9 | -169.2 | 178.1 | -164.4 | 0 | 113.3 | L1778 S1781 D1782 N1785 I1788 I1821 A1823 P1828 | L1778-K1825 HydrophobicContact CD2-CD 4.45Å; L1778-K1825 WeakPolarHBondContact O-CD 3.45Å; L1778-K1825 WeakPolarHBondContact O-CE 3.24Å; L1778-K1825 PolarHBondContact O-NZ 2.83Å; S1781-K1825 PolarHBondContact O-NZ 2.83Å; D1782-K1825 WeakPolarHBondContact OD1-CE 3.47Å; D1782-K1825 IonicContact OD1-NZ 2.76Å; D1782-K1825 PolarHBondContact OD1-NZ 3.4Å; N1785-K1825 WeakPolarHBondContact OD1-CD 3.49Å; N1785-K1825 WeakPolarHBondContact OD1-CE 3.21Å; N1785-K1825 PolarHBondContact OD1-NZ 3.15Å; N1785-K1825 VanDerWaalsContact OD1-NZ 3.1Å; I1788-K1825 HydrophobicContact CD1-CB 4.31Å; I1821-K1825 HydrophobicContact CG2-CD 4.33Å; A1823-K1825 VanDerWaalsContact C-N 3.27Å; A1823-K1825 PolarHBondContact O-N 3.01Å; K1825-P1828 WeakPolarHBondContact O-CD 3.15Å |
| 1826 | F | 89.2 | Confident | 84.9 | Confident | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 17% | 0.166 | C | C | . | . | G | 310 helix | trans | -87.3 | -7 | 179.2 | -58.1 | -93.6 | 0 | 0 | 0 | 113.3 | I1788 I1792 I1821 R1822 A1823 D1824 P1828 L1829 L1854 M1858 | I1788-F1826 HydrophobicContact CD1-CD1 3.94Å; I1788-F1826 HydrophobicContact CD1-CE1 3.72Å; I1788-F1826 HydrophobicContact CD1-CE2 4.42Å; I1788-F1826 HydrophobicContact CD1-CG 4.4Å; I1788-F1826 HydrophobicContact CD1-CZ 3.98Å; I1788-F1826 HydrophobicContact CG1-CD1 4.19Å; I1788-F1826 HydrophobicContact CG1-CE1 4.42Å; I1792-F1826 HydrophobicContact CD1-CD1 4.39Å; I1792-F1826 HydrophobicContact CD1-CE1 4.18Å; I1821-F1826 HydrophobicContact CB-CE2 3.95Å; I1821-F1826 HydrophobicContact CB-CZ 4.03Å; I1821-F1826 HydrophobicContact CD1-CZ 4.26Å; I1821-F1826 HydrophobicContact CG2-CE2 3.56Å; I1821-F1826 HydrophobicContact CG2-CZ 3.8Å; R1822-F1826 WeakPolarHBondContact O-CD2 3.3Å; R1822-F1826 WeakPolarHBondContact O-CE2 3.49Å; A1823-F1826 PolarHBondContact O-N 2.78Å; D1824-F1826 PolarHBondContact O-N 3.48Å; F1826-P1828 VanDerWaalsContact C-CD 3.46Å; F1826-L1829 WeakPolarHBondContact O-CA 3.44Å; F1826-L1829 PolarHBondContact O-N 2.78Å; F1826-L1854 HydrophobicContact CB-CD1 4.47Å; F1826-L1854 HydrophobicContact CD1-CD1 3.88Å; F1826-L1854 HydrophobicContact CD1-CD2 4.01Å; F1826-L1854 HydrophobicContact CD2-CD1 3.98Å; F1826-L1854 HydrophobicContact CE1-CD1 3.99Å; F1826-L1854 HydrophobicContact CE1-CD2 4.18Å; F1826-L1854 HydrophobicContact CE2-CD1 4.1Å; F1826-L1854 HydrophobicContact CG-CD1 3.86Å; F1826-L1854 HydrophobicContact CZ-CD1 4.11Å; F1826-M1858 HydrophobicContact CB-CE 3.77Å; F1826-M1858 HydrophobicContact CB-CG 4.21Å; F1826-M1858 HydrophobicContact CB-SD 3.5Å; F1826-M1858 WeakPolarHBondContact CB-SD 3.17Å; F1826-M1858 HydrophobicContact CG-SD 4.3Å; F1826-M1858 WeakPolarHBondContact O-CE 3.49Å |
| 1827 | L | 88 | Confident | 84.6 | Confident | 16 Ų | 16 | 26 Ų | 26 | 8% | 0.084 | 14% | 0.14 | C | C | . | . | G | 310 helix | trans | -57.6 | -36.7 | -177.4 | -73.7 | 176.1 | 0 | 0 | 0 | 115.5 | D1824 L1829 V1830 H1862 H1865 I2004 | D1824-L1827 HydrophobicContact CB-CD1 4.45Å; D1824-L1827 WeakPolarHBondContact O-CB 3.45Å; D1824-L1827 WeakPolarHBondContact O-CG 3.46Å; D1824-L1827 PolarHBondContact O-N 3.02Å; D1824-L1827 VanDerWaalsContact O-N 3.11Å; L1827-L1829 PolarHBondContact O-N 3.26Å; L1827-L1829 VanDerWaalsContact O-N 3.11Å; L1827-V1830 HydrophobicContact CD2-CG2 3.94Å; L1827-V1830 WeakPolarHBondContact O-CG2 3.46Å; L1827-V1830 PolarHBondContact O-N 3.45Å; L1827-H1862 HydrophobicContact CD1-CB 3.91Å; L1827-H1862 HydrophobicContact CD2-CB 3.93Å; L1827-H1862 HydrophobicContact CG-CB 4.43Å; L1827-H1865 HydrophobicContact CD1-CB 4.09Å; L1827-H1865 HydrophobicContact CD2-CB 3.86Å; L1827-I2004 HydrophobicContact CD1-CD1 4Å; L1827-I2004 HydrophobicContact CD1-CG1 4.13Å; L1827-I2004 HydrophobicContact CD1-CG2 3.91Å |
| 1828 | P | 81.8 | Confident | 84.3 | Confident | 56 Ų | 56 | 23.7 Ų | 23.7 | 36% | 0.364 | 14% | 0.137 | S | C | . | . | G | 310 helix | trans | -62.3 | -16.6 | 173.8 | -24 | 35.7 | 0 | 0 | 0 | 114.2 | F1789 K1825 F1826 Q1832 Q2065 | F1789-P1828 HydrophobicContact CE1-CB 4.27Å; F1789-P1828 HydrophobicContact CE2-CB 4.37Å; F1789-P1828 HydrophobicContact CZ-CB 3.59Å; F1789-P1828 HydrophobicContact CZ-CG 4.44Å; K1825-P1828 WeakPolarHBondContact O-CD 3.15Å; F1826-P1828 VanDerWaalsContact C-CD 3.46Å; P1828-Q1832 PolarHBondContact O-OE1 2.89Å; P1828-Q2065 PolarHBondContact O-NE2 3.09Å |
| 1829 | L | 82.9 | Confident | 83.6 | Confident | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 15% | 0.146 | C | C | . | . | G | 310 helix | trans | -108.4 | 10.8 | -175.2 | -71.3 | 167.9 | 0 | 0 | 0 | 113.6 | I1788 F1789 I1792 F1826 L1827 Q1832 L1833 | I1788-L1829 HydrophobicContact CG1-CD1 4.41Å; I1788-L1829 HydrophobicContact CG2-CD1 4.28Å; F1789-L1829 HydrophobicContact CD1-CD1 4.17Å; F1789-L1829 HydrophobicContact CD1-CD2 3.72Å; F1789-L1829 HydrophobicContact CD1-CG 4.06Å; F1789-L1829 HydrophobicContact CE1-CD1 4.4Å; F1789-L1829 HydrophobicContact CE1-CD2 3.67Å; F1789-L1829 HydrophobicContact CE1-CG 3.87Å; I1792-L1829 HydrophobicContact CB-CD1 4.02Å; I1792-L1829 HydrophobicContact CG1-CD1 3.84Å; I1792-L1829 HydrophobicContact CG2-CD1 4.19Å; F1826-L1829 WeakPolarHBondContact O-CA 3.44Å; F1826-L1829 PolarHBondContact O-N 2.78Å; L1827-L1829 PolarHBondContact O-N 3.26Å; L1827-L1829 VanDerWaalsContact O-N 3.11Å; L1829-Q1832 HydrophobicContact CB-CB 4.5Å; L1829-Q1832 HydrophobicContact CD2-CB 3.97Å; L1829-Q1832 HydrophobicContact CD2-CG 3.93Å; L1829-Q1832 WeakPolarHBondContact O-CB 3.42Å; L1829-Q1832 PolarHBondContact O-N 3.04Å; L1829-L1833 HydrophobicContact CB-CD1 4.02Å; L1829-L1833 HydrophobicContact CB-CG 4.32Å; L1829-L1833 WeakPolarHBondContact O-CB 3.43Å; L1829-L1833 VanDerWaalsContact O-CG 3.32Å; L1829-L1833 WeakPolarHBondContact O-CG 3.23Å; L1829-L1833 PolarHBondContact O-N 2.68Å |
| 1830 | V | 85.4 | Confident | 82.4 | Confident | 4 Ų | 4 | 25.5 Ų | 25.5 | 2% | 0.024 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -58.5 | -49.3 | -179 | -171.1 | 0 | 0 | 0 | 0 | 111.9 | L1827 Q1832 L1833 A1834 M1858 T1869 | L1827-V1830 HydrophobicContact CD2-CG2 3.94Å; L1827-V1830 WeakPolarHBondContact O-CG2 3.46Å; L1827-V1830 PolarHBondContact O-N 3.45Å; V1830-Q1832 VanDerWaalsContact C-N 3.29Å; V1830-Q1832 PolarHBondContact O-N 3.22Å; V1830-L1833 PolarHBondContact O-N 3.11Å; V1830-A1834 VanDerWaalsContact O-CB 3.23Å; V1830-A1834 WeakPolarHBondContact O-CB 3.29Å; V1830-A1834 PolarHBondContact O-N 3.37Å; V1830-M1858 HydrophobicContact CB-CE 4.1Å; V1830-M1858 HydrophobicContact CG1-CE 4.42Å; V1830-M1858 HydrophobicContact CG2-CE 3.34Å; V1830-T1869 HydrophobicContact CB-CG2 4.46Å; V1830-T1869 HydrophobicContact CG1-CG2 3.92Å |
| 1831 | P | 80 | Confident | 80.6 | Confident | 36 Ų | 36 | 27 Ų | 27 | 23% | 0.234 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -60.2 | -41.3 | 177.9 | -23.8 | 35.7 | 0 | 0 | 0 | 112.3 | L1833 V1835 T1869 | P1831-L1833 PolarHBondContact O-N 2.98Å; P1831-V1835 WeakPolarHBondContact O-CG2 3.14Å; P1831-V1835 PolarHBondContact O-N 2.72Å; P1831-T1869 HydrophobicContact CB-CG2 4.09Å; P1831-T1869 HydrophobicContact CG-CG2 3.92Å |
| 1832 | Q | 77.3 | Confident | 78.5 | Confident | 9 Ų | 9 | 34 Ų | 34 | 4% | 0.042 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -62.7 | -42.3 | -179.6 | -72.7 | 73.5 | 17.6 | 0 | 0 | 112.3 | P1828 L1829 V1830 V2310 | P1828-Q1832 PolarHBondContact O-OE1 2.89Å; L1829-Q1832 HydrophobicContact CB-CB 4.5Å; L1829-Q1832 HydrophobicContact CD2-CB 3.97Å; L1829-Q1832 HydrophobicContact CD2-CG 3.93Å; L1829-Q1832 WeakPolarHBondContact O-CB 3.42Å; L1829-Q1832 PolarHBondContact O-N 3.04Å; V1830-Q1832 VanDerWaalsContact C-N 3.29Å; V1830-Q1832 PolarHBondContact O-N 3.22Å; Q1832-V2310 HydrophobicContact CB-CB 4.07Å; Q1832-V2310 HydrophobicContact CB-CG1 3.88Å; Q1832-V2310 HydrophobicContact CB-CG2 3.91Å; Q1832-V2310 HydrophobicContact CG-CB 3.8Å; Q1832-V2310 HydrophobicContact CG-CG1 4.1Å; Q1832-V2310 HydrophobicContact CG-CG2 3.81Å; Q1832-V2310 WeakPolarHBondContact O-CG1 3.47Å |
| 1833 | L | 83.3 | Confident | 76.5 | Confident | 2 Ų | 2 | 34.5 Ų | 34.5 | 1% | 0.01 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -79 | -41.7 | -179.1 | -67.4 | 167 | 0 | 0 | 0 | 111.7 | I1792 W1795 L1829 V1830 P1831 V1835 R1836 L1851 L1854 I1855 M1858 | I1792-L1833 HydrophobicContact CG2-CD2 4.45Å; W1795-L1833 HydrophobicContact CZ3-CD2 4.48Å; L1829-L1833 HydrophobicContact CB-CD1 4.02Å; L1829-L1833 HydrophobicContact CB-CG 4.32Å; L1829-L1833 WeakPolarHBondContact O-CB 3.43Å; L1829-L1833 VanDerWaalsContact O-CG 3.32Å; L1829-L1833 WeakPolarHBondContact O-CG 3.23Å; L1829-L1833 PolarHBondContact O-N 2.68Å; V1830-L1833 PolarHBondContact O-N 3.11Å; P1831-L1833 PolarHBondContact O-N 2.98Å; L1833-V1835 PolarHBondContact O-N 3.39Å; L1833-R1836 PolarHBondContact O-N 2.99Å; L1833-L1851 HydrophobicContact CB-CD1 3.98Å; L1833-L1851 HydrophobicContact CD2-CD1 3.79Å; L1833-L1851 HydrophobicContact CG-CD1 4.47Å; L1833-L1854 HydrophobicContact CD1-CD2 3.75Å; L1833-L1854 HydrophobicContact CD2-CD2 4.4Å; L1833-I1855 HydrophobicContact CB-CD1 4.25Å; L1833-I1855 HydrophobicContact CB-CG1 4.33Å; L1833-M1858 HydrophobicContact CD1-CE 4.33Å; L1833-M1858 HydrophobicContact CD1-SD 4.32Å |
| 1834 | A | 81.8 | Confident | 75 | Confident | 2 Ų | 2 | 37.6 Ų | 37.6 | 2% | 0.017 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.3 | -40.1 | -177 | 0 | 0 | 0 | 0 | 0 | 113.2 | V1830 R1836 L1837 T1869 L1873 | V1830-A1834 VanDerWaalsContact O-CB 3.23Å; V1830-A1834 WeakPolarHBondContact O-CB 3.29Å; V1830-A1834 PolarHBondContact O-N 3.37Å; A1834-R1836 PolarHBondContact O-N 3.22Å; A1834-L1837 WeakPolarHBondContact O-CB 3.43Å; A1834-L1837 WeakPolarHBondContact O-CG 3.42Å; A1834-L1837 PolarHBondContact O-N 3.32Å; A1834-T1869 HydrophobicContact CB-CG2 4.39Å; A1834-L1873 HydrophobicContact CB-CD1 4.06Å |
| 1835 | V | 76.5 | Confident | 74 | Confident | 17 Ų | 17 | 40.1 Ų | 40.1 | 10% | 0.103 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -18.6 | -178.7 | 171.6 | 0 | 0 | 0 | 0 | 113.1 | P1831 L1833 R1916 D2314 | P1831-V1835 WeakPolarHBondContact O-CG2 3.14Å; P1831-V1835 PolarHBondContact O-N 2.72Å; L1833-V1835 PolarHBondContact O-N 3.39Å; V1835-R1916 PolarHBondContact O-NH1 3.48Å; V1835-D2314 HydrophobicContact CG1-CB 3.83Å |
| 1836 | R | 77 | Confident | 73.6 | Confident | 30 Ų | 30 | 42.4 Ų | 42.4 | 11% | 0.113 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | -0.1 | 178.3 | -65.5 | -158.9 | -175.3 | -155.3 | 6.5 | 115.2 | L1833 A1834 S1838 Q1848 L1851 | L1833-R1836 PolarHBondContact O-N 2.99Å; A1834-R1836 PolarHBondContact O-N 3.22Å; R1836-S1838 PolarHBondContact O-N 3.02Å; R1836-Q1848 PolarHBondContact O-NE2 3.37Å; R1836-Q1848 PolarHBondContact O-OE1 3.13Å; R1836-L1851 HydrophobicContact CB-CD2 3.91Å |
| 1837 | L | 81.2 | Confident | 73.3 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 26% | 0.263 | C | S | . | . | trans | -61.4 | 127.7 | 173.3 | -74.8 | 172.6 | 0 | 0 | 0 | 111.3 | A1834 L1851 M1852 I1855 R1916 A1919 L1923 | A1834-L1837 WeakPolarHBondContact O-CB 3.43Å; A1834-L1837 WeakPolarHBondContact O-CG 3.42Å; A1834-L1837 PolarHBondContact O-N 3.32Å; L1837-L1851 HydrophobicContact CD2-CD2 4.28Å; L1837-L1851 HydrophobicContact CD2-CG 4.22Å; L1837-M1852 HydrophobicContact CD2-CG 3.66Å; L1837-I1855 HydrophobicContact CD1-CD1 3.96Å; L1837-I1855 HydrophobicContact CD2-CD1 3.87Å; L1837-I1855 HydrophobicContact CG-CD1 3.82Å; L1837-R1916 WeakPolarHBondContact O-CA 3.36Å; L1837-R1916 VanDerWaalsContact O-CG 3.29Å; L1837-R1916 WeakPolarHBondContact O-CG 3.24Å; L1837-A1919 HydrophobicContact CB-CB 3.96Å; L1837-L1923 HydrophobicContact CD1-CD1 3.99Å; L1837-L1923 HydrophobicContact CD2-CD1 4.14Å | ||
| 1838 | S | 78.5 | Confident | 73.2 | Confident | 39 Ų | 39 | 43.6 Ų | 43.6 | 27% | 0.273 | 27% | 0.266 | S | S | . | . | trans | -138.9 | 145.6 | 179 | -175.2 | 0 | 0 | 0 | 0 | 112.6 | R1836 K1840 | R1836-S1838 PolarHBondContact O-N 3.02Å; S1838-K1840 PolarHBondContact OG-N 2.95Å | ||
| 1839 | S | 71.9 | Confident | 73.3 | Confident | 38 Ų | 38 | 45.3 Ų | 45.3 | 27% | 0.266 | 27% | 0.272 | S | S | . | . | trans | -94.5 | -1.8 | 175.3 | 63 | 0 | 0 | 0 | 0 | 114.8 | C1915 | S1839-C1915 WeakPolarHBondContact OG-CA 3.28Å; S1839-C1915 VanDerWaalsContact OG-CB 3.32Å; S1839-C1915 WeakPolarHBondContact OG-CB 3.38Å; S1839-C1915 PolarHBondContact OG-O 3.4Å; S1839-C1915 PolarHBondContact OG-SG 3.15Å | ||
| 1840 | K | 62.9 | Low | 73.6 | Confident | 103 Ų | 103 | 46.3 Ų | 46.3 | 45% | 0.448 | 28% | 0.277 | S | S | . | . | trans | -74.8 | 132.3 | 175.7 | -65.4 | -178.1 | -179.6 | 174 | 0 | 110.1 | S1838 | S1838-K1840 PolarHBondContact OG-N 2.95Š| ||
| 1841 | C | 47.9 | Very low | 73.8 | Confident | 101 Ų | 101 | 46.1 Ų | 46.1 | 68% | 0.682 | 28% | 0.276 | S | S | * | . | trans | -94.7 | -11.3 | -169.1 | -66.7 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 1842 | D | 45.5 | Very low | 74.2 | Confident | 146 Ų | 146 | 46.1 Ų | 46.1 | 78% | 0.781 | 27% | 0.274 | S | S | * | . | S | Bend | trans | -79.7 | 137.1 | -168.6 | -53.8 | -58.3 | 0 | 0 | 0 | 112.2 | D1844 | D1842-D1844 VanDerWaalsContact C-N 3.3Å; D1842-D1844 PolarHBondContact O-N 3.49Å |
| 1843 | A | 49 | Very low | 74.8 | Confident | 95 Ų | 95 | 52.5 Ų | 52.5 | 79% | 0.785 | 30% | 0.301 | S | S | * | . | S | Bend | trans | 60.5 | -63.7 | -173 | 0 | 0 | 0 | 0 | 0 | 116.8 | S1845 | A1843-S1845 PolarHBondContact O-N 3.2Š|
| 1844 | D | 58 | Low | 75.2 | Confident | 72 Ų | 72 | 52.4 Ų | 52.4 | 39% | 0.385 | 30% | 0.3 | S | S | . | . | trans | -93.4 | 29 | -159.1 | -75 | -38.9 | 0 | 0 | 0 | 116.2 | D1842 S1846 F1847 Q1848 | D1842-D1844 VanDerWaalsContact C-N 3.3Å; D1842-D1844 PolarHBondContact O-N 3.49Å; D1844-S1846 PolarHBondContact O-N 3.24Å; D1844-S1846 VanDerWaalsContact O-N 3.09Å; D1844-F1847 PolarHBondContact O-N 2.99Å; D1844-F1847 VanDerWaalsContact O-N 3.15Å; D1844-Q1848 PolarHBondContact O-N 3.21Å | ||
| 1845 | S | 68.1 | Low | 75.6 | Confident | 68 Ų | 68 | 52.4 Ų | 52.4 | 48% | 0.476 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -59.5 | -25.7 | -175.3 | 67.2 | 0 | 0 | 0 | 0 | 114.7 | A1843 N1849 | A1843-S1845 PolarHBondContact O-N 3.2Å; S1845-N1849 PolarHBondContact O-N 2.98Å; S1845-N1849 PolarHBondContact O-ND2 2.88Å |
| 1846 | S | 79 | Confident | 76.3 | Confident | 57 Ų | 57 | 54.1 Ų | 54.1 | 40% | 0.399 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -70.5 | -45.6 | 175.9 | 59.3 | 0 | 0 | 0 | 0 | 112.4 | N1811 D1844 N1849 I1850 | N1811-S1846 PolarHBondContact ND2-OG 3.12Å; D1844-S1846 PolarHBondContact O-N 3.24Å; D1844-S1846 VanDerWaalsContact O-N 3.09Å; S1846-N1849 PolarHBondContact O-N 2.69Å; S1846-I1850 WeakPolarHBondContact O-CG1 3.34Å; S1846-I1850 PolarHBondContact O-N 2.77Å |
| 1847 | F | 83.6 | Confident | 77 | Confident | 8 Ų | 8 | 55.3 Ų | 55.3 | 4% | 0.035 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -61.4 | -51 | 179 | 170.6 | -102.7 | 0 | 0 | 0 | 111.7 | W1795 L1796 I1799 D1844 N1849 I1850 L1851 | W1795-F1847 HydrophobicContact CD2-CE2 4.3Å; W1795-F1847 AromaticContact CE2-CD2 3.76Å; W1795-F1847 AromaticContact CE2-CE2 3.74Å; W1795-F1847 HydrophobicContact CE3-CE2 4.39Å; W1795-F1847 AromaticContact CH2-CD2 3.96Å; W1795-F1847 HydrophobicContact CH2-CD2 3.96Å; W1795-F1847 AromaticContact CH2-CE2 3.49Å; W1795-F1847 HydrophobicContact CH2-CE2 3.49Å; W1795-F1847 VanDerWaalsContact CH2-CE2 3.49Å; W1795-F1847 HydrophobicContact CH2-CZ 4.42Å; W1795-F1847 AromaticContact CZ2-CD2 3.35Å; W1795-F1847 HydrophobicContact CZ2-CD2 3.35Å; W1795-F1847 AromaticContact CZ2-CE2 3.33Å; W1795-F1847 HydrophobicContact CZ2-CE2 3.33Å; W1795-F1847 HydrophobicContact CZ3-CE2 4.02Å; L1796-F1847 HydrophobicContact CD2-CE2 3.99Å; L1796-F1847 HydrophobicContact CD2-CZ 3.94Å; I1799-F1847 HydrophobicContact CD1-CD1 4.33Å; I1799-F1847 HydrophobicContact CD1-CD2 3.59Å; I1799-F1847 HydrophobicContact CD1-CE1 4.13Å; I1799-F1847 HydrophobicContact CD1-CE2 3.34Å; I1799-F1847 HydrophobicContact CD1-CG 4.1Å; I1799-F1847 HydrophobicContact CD1-CZ 3.64Å; I1799-F1847 HydrophobicContact CG1-CD2 4.3Å; I1799-F1847 HydrophobicContact CG1-CE2 4.45Å; D1844-F1847 PolarHBondContact O-N 2.99Å; D1844-F1847 VanDerWaalsContact O-N 3.15Å; F1847-N1849 VanDerWaalsContact C-N 3.3Å; F1847-N1849 PolarHBondContact O-N 3.13Å; F1847-I1850 PolarHBondContact O-N 3.49Å; F1847-I1850 VanDerWaalsContact O-N 3.09Å; F1847-L1851 HydrophobicContact CE1-CD2 3.89Å; F1847-L1851 HydrophobicContact CZ-CB 4.46Å; F1847-L1851 HydrophobicContact CZ-CD2 3.98Å; F1847-L1851 PolarHBondContact O-N 3.41Å |
| 1848 | Q | 84.9 | Confident | 77.5 | Confident | 33 Ų | 33 | 55.3 Ų | 55.3 | 15% | 0.154 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -63.1 | -34.6 | -177.4 | -70.7 | -66.8 | -21.5 | 0 | 0 | 112.5 | R1836 D1844 L1851 M1852 | R1836-Q1848 PolarHBondContact O-NE2 3.37Å; R1836-Q1848 PolarHBondContact O-OE1 3.13Å; D1844-Q1848 PolarHBondContact O-N 3.21Å; Q1848-L1851 PolarHBondContact O-N 3.18Å; Q1848-M1852 PolarHBondContact O-N 3.43Å |
| 1849 | N | 85.4 | Confident | 78.2 | Confident | 92 Ų | 92 | 53.5 Ų | 53.5 | 49% | 0.492 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -66.8 | -36.1 | 173.9 | -88 | -67.1 | 0 | 0 | 0 | 113.2 | S1845 S1846 F1847 K1853 | S1845-N1849 PolarHBondContact O-N 2.98Å; S1845-N1849 PolarHBondContact O-ND2 2.88Å; S1846-N1849 PolarHBondContact O-N 2.69Å; F1847-N1849 VanDerWaalsContact C-N 3.3Å; F1847-N1849 PolarHBondContact O-N 3.13Å; N1849-K1853 WeakPolarHBondContact O-CG 3.31Å; N1849-K1853 PolarHBondContact O-N 2.89Å |
| 1850 | I | 88.1 | Confident | 79.1 | Confident | 20 Ų | 20 | 53.8 Ų | 53.8 | 10% | 0.103 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -70.3 | -44.7 | 175 | -64.7 | 165 | 0 | 0 | 0 | 110 | W1795 N1811 M1814 L1818 S1846 F1847 K1853 L1854 | W1795-I1850 HydrophobicContact CH2-CG2 4.08Å; W1795-I1850 HydrophobicContact CZ2-CB 4.42Å; W1795-I1850 HydrophobicContact CZ2-CG2 3.95Å; N1811-I1850 HydrophobicContact CB-CD1 3.99Å; N1811-I1850 WeakPolarHBondContact O-CD1 3.27Å; M1814-I1850 HydrophobicContact CB-CD1 4.5Å; L1818-I1850 HydrophobicContact CD1-CG2 3.88Å; S1846-I1850 WeakPolarHBondContact O-CG1 3.34Å; S1846-I1850 PolarHBondContact O-N 2.77Å; F1847-I1850 PolarHBondContact O-N 3.49Å; F1847-I1850 VanDerWaalsContact O-N 3.09Å; I1850-K1853 PolarHBondContact O-N 3.18Å; I1850-L1854 PolarHBondContact O-N 2.91Å |
| 1851 | L | 89 | Confident | 80.4 | Confident | 1 Ų | 1 | 54.5 Ų | 54.5 | 1% | 0.005 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -60.6 | -45.9 | 179.1 | -176.6 | 63.2 | 0 | 0 | 0 | 112.4 | L1833 R1836 L1837 F1847 Q1848 K1853 L1854 I1855 | L1833-L1851 HydrophobicContact CB-CD1 3.98Å; L1833-L1851 HydrophobicContact CD2-CD1 3.79Å; L1833-L1851 HydrophobicContact CG-CD1 4.47Å; R1836-L1851 HydrophobicContact CB-CD2 3.91Å; L1837-L1851 HydrophobicContact CD2-CD2 4.28Å; L1837-L1851 HydrophobicContact CD2-CG 4.22Å; F1847-L1851 HydrophobicContact CE1-CD2 3.89Å; F1847-L1851 HydrophobicContact CZ-CB 4.46Å; F1847-L1851 HydrophobicContact CZ-CD2 3.98Å; F1847-L1851 PolarHBondContact O-N 3.41Å; Q1848-L1851 PolarHBondContact O-N 3.18Å; L1851-K1853 PolarHBondContact O-N 3.17Å; L1851-L1854 PolarHBondContact O-N 3.24Å; L1851-I1855 HydrophobicContact CD1-CD1 3.94Å; L1851-I1855 HydrophobicContact CG-CD1 3.98Å; L1851-I1855 WeakPolarHBondContact O-CG1 3.24Å; L1851-I1855 PolarHBondContact O-N 2.77Å; L1851-I1855 VanDerWaalsContact O-N 3.1Å |
| 1852 | M | 89.4 | Confident | 82.5 | Confident | 36 Ų | 36 | 49.8 Ų | 49.8 | 18% | 0.177 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -58.5 | -48.4 | 175.2 | -79.9 | -133.3 | -81.1 | 0 | 0 | 112.1 | L1837 Q1848 L1854 I1855 E1856 L1923 | L1837-M1852 HydrophobicContact CD2-CG 3.66Å; Q1848-M1852 PolarHBondContact O-N 3.43Å; M1852-L1854 VanDerWaalsContact C-N 3.32Å; M1852-L1854 PolarHBondContact O-N 3.42Å; M1852-I1855 PolarHBondContact O-N 3.21Å; M1852-E1856 VanDerWaalsContact O-CB 3.25Å; M1852-E1856 WeakPolarHBondContact O-CB 3.48Å; M1852-E1856 PolarHBondContact O-N 3.12Å; M1852-L1923 HydrophobicContact CB-CD1 4.4Å; M1852-L1923 HydrophobicContact CG-CD1 4.22Å; M1852-L1923 HydrophobicContact SD-CD1 4.15Å; M1852-L1923 HydrophobicContact SD-CG 4.37Å |
| 1853 | K | 89.4 | Confident | 84.7 | Confident | 142 Ų | 142 | 42.8 Ų | 42.8 | 62% | 0.617 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -62.2 | -37 | 179.1 | -74.3 | 177.7 | 178.5 | -178 | 0 | 112.8 | N1849 I1850 L1851 R1857 | N1849-K1853 WeakPolarHBondContact O-CG 3.31Å; N1849-K1853 PolarHBondContact O-N 2.89Å; I1850-K1853 PolarHBondContact O-N 3.18Å; L1851-K1853 PolarHBondContact O-N 3.17Å; K1853-R1857 WeakPolarHBondContact O-CB 3.49Å; K1853-R1857 PolarHBondContact O-N 3.29Å |
| 1854 | L | 91.7 | Very high | 86.7 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -63.2 | -49.3 | 176.2 | 175.4 | 59.3 | 0 | 0 | 0 | 111.1 | L1818 F1826 L1833 I1850 L1851 M1852 R1857 M1858 | L1818-L1854 HydrophobicContact CD1-CB 4.24Å; L1818-L1854 HydrophobicContact CD1-CD1 4.23Å; L1818-L1854 HydrophobicContact CD1-CD2 4.17Å; L1818-L1854 HydrophobicContact CD1-CG 4.43Å; L1818-L1854 HydrophobicContact CD2-CB 4.37Å; L1818-L1854 HydrophobicContact CD2-CD1 4.09Å; L1818-L1854 HydrophobicContact CG-CD1 4.34Å; F1826-L1854 HydrophobicContact CB-CD1 4.47Å; F1826-L1854 HydrophobicContact CD1-CD1 3.88Å; F1826-L1854 HydrophobicContact CD1-CD2 4.01Å; F1826-L1854 HydrophobicContact CD2-CD1 3.98Å; F1826-L1854 HydrophobicContact CE1-CD1 3.99Å; F1826-L1854 HydrophobicContact CE1-CD2 4.18Å; F1826-L1854 HydrophobicContact CE2-CD1 4.1Å; F1826-L1854 HydrophobicContact CG-CD1 3.86Å; F1826-L1854 HydrophobicContact CZ-CD1 4.11Å; L1833-L1854 HydrophobicContact CD1-CD2 3.75Å; L1833-L1854 HydrophobicContact CD2-CD2 4.4Å; I1850-L1854 PolarHBondContact O-N 2.91Å; L1851-L1854 PolarHBondContact O-N 3.24Å; M1852-L1854 VanDerWaalsContact C-N 3.32Å; M1852-L1854 PolarHBondContact O-N 3.42Å; L1854-R1857 PolarHBondContact O-N 3.45Å; L1854-M1858 HydrophobicContact CD1-CG 4.34Å; L1854-M1858 HydrophobicContact CD1-SD 3.75Å; L1854-M1858 HydrophobicContact CD2-SD 4.48Å; L1854-M1858 HydrophobicContact CG-SD 3.71Å; L1854-M1858 VanDerWaalsContact O-CG 3.26Å; L1854-M1858 WeakPolarHBondContact O-CG 3.31Å; L1854-M1858 PolarHBondContact O-N 3.45Å |
| 1855 | I | 90.9 | Very high | 88.2 | Confident | 2 Ų | 2 | 37.9 Ų | 37.9 | 1% | 0.01 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -67.1 | -42.7 | -179.5 | -67.1 | 164.2 | 0 | 0 | 0 | 111.1 | L1833 L1837 L1851 M1852 R1857 M1858 V1859 L1923 | L1833-I1855 HydrophobicContact CB-CD1 4.25Å; L1833-I1855 HydrophobicContact CB-CG1 4.33Å; L1837-I1855 HydrophobicContact CD1-CD1 3.96Å; L1837-I1855 HydrophobicContact CD2-CD1 3.87Å; L1837-I1855 HydrophobicContact CG-CD1 3.82Å; L1851-I1855 HydrophobicContact CD1-CD1 3.94Å; L1851-I1855 HydrophobicContact CG-CD1 3.98Å; L1851-I1855 WeakPolarHBondContact O-CG1 3.24Å; L1851-I1855 PolarHBondContact O-N 2.77Å; L1851-I1855 VanDerWaalsContact O-N 3.1Å; M1852-I1855 PolarHBondContact O-N 3.21Å; I1855-R1857 VanDerWaalsContact C-N 3.33Å; I1855-R1857 PolarHBondContact O-N 3.27Å; I1855-M1858 PolarHBondContact O-N 3.22Å; I1855-M1858 VanDerWaalsContact O-N 3.13Å; I1855-V1859 HydrophobicContact CG2-CG2 4.46Å; I1855-V1859 WeakPolarHBondContact O-CG2 3.32Å; I1855-V1859 PolarHBondContact O-N 2.95Å; I1855-L1923 HydrophobicContact CB-CD1 4.12Å; I1855-L1923 HydrophobicContact CG2-CD1 3.86Å; I1855-L1923 HydrophobicContact CG2-CD2 4.41Å |
| 1856 | E | 91.6 | Very high | 89.3 | Confident | 54 Ų | 54 | 34.6 Ų | 34.6 | 25% | 0.252 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -55.3 | -47.1 | 174.5 | -172.7 | 168.6 | -158.2 | 0 | 0 | 111.1 | M1852 M1858 V1859 D1860 L1923 L1927 | M1852-E1856 VanDerWaalsContact O-CB 3.25Å; M1852-E1856 WeakPolarHBondContact O-CB 3.48Å; M1852-E1856 PolarHBondContact O-N 3.12Å; E1856-M1858 PolarHBondContact O-N 3.13Å; E1856-V1859 PolarHBondContact O-N 3.11Å; E1856-D1860 PolarHBondContact O-N 3.34Å; E1856-D1860 VanDerWaalsContact O-N 3.14Å; E1856-L1923 HydrophobicContact CB-CD2 4.08Å; E1856-L1927 HydrophobicContact CG-CD2 4.02Å; E1856-L1927 HydrophobicContact CG-CG 4.47Å |
| 1857 | R | 91.5 | Very high | 89.9 | Confident | 55 Ų | 55 | 32 Ų | 32 | 21% | 0.208 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -63.4 | -39.7 | 175.1 | -169.9 | 176.9 | 68.5 | 151.1 | 2.6 | 112.8 | L1818 P1819 I1821 A1823 K1853 L1854 I1855 V1859 W1861 | L1818-R1857 PolarHBondContact O-NH1 3.36Å; L1818-R1857 PolarHBondContact O-NH2 2.79Å; L1818-R1857 VanDerWaalsContact O-NH2 3.12Å; P1819-R1857 PolarHBondContact O-NH1 2.79Å; P1819-R1857 VanDerWaalsContact O-NH1 3.08Å; I1821-R1857 VanDerWaalsContact O-CZ 3.27Å; I1821-R1857 PolarHBondContact O-NH1 2.87Å; I1821-R1857 PolarHBondContact O-NH2 3.15Å; A1823-R1857 HydrophobicContact CB-CG 4.35Å; K1853-R1857 WeakPolarHBondContact O-CB 3.49Å; K1853-R1857 PolarHBondContact O-N 3.29Å; L1854-R1857 PolarHBondContact O-N 3.45Å; I1855-R1857 VanDerWaalsContact C-N 3.33Å; I1855-R1857 PolarHBondContact O-N 3.27Å; R1857-V1859 VanDerWaalsContact C-N 3.34Å; R1857-V1859 PolarHBondContact O-N 3.39Å; R1857-W1861 WeakPolarHBondContact O-CB 3.42Å; R1857-W1861 VanDerWaalsContact O-CD1 3.25Å; R1857-W1861 PolarHBondContact O-N 2.97Å |
| 1858 | M | 92.2 | Very high | 90.3 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -68 | -29.8 | 178.8 | -72.1 | 161.1 | 60.1 | 0 | 0 | 113.4 | F1826 V1830 L1833 L1854 I1855 E1856 H1862 S1866 | F1826-M1858 HydrophobicContact CB-CE 3.77Å; F1826-M1858 HydrophobicContact CB-CG 4.21Å; F1826-M1858 HydrophobicContact CB-SD 3.5Å; F1826-M1858 WeakPolarHBondContact CB-SD 3.17Å; F1826-M1858 HydrophobicContact CG-SD 4.3Å; F1826-M1858 WeakPolarHBondContact O-CE 3.49Å; V1830-M1858 HydrophobicContact CB-CE 4.1Å; V1830-M1858 HydrophobicContact CG1-CE 4.42Å; V1830-M1858 HydrophobicContact CG2-CE 3.34Å; L1833-M1858 HydrophobicContact CD1-CE 4.33Å; L1833-M1858 HydrophobicContact CD1-SD 4.32Å; L1854-M1858 HydrophobicContact CD1-CG 4.34Å; L1854-M1858 HydrophobicContact CD1-SD 3.75Å; L1854-M1858 HydrophobicContact CD2-SD 4.48Å; L1854-M1858 HydrophobicContact CG-SD 3.71Å; L1854-M1858 VanDerWaalsContact O-CG 3.26Å; L1854-M1858 WeakPolarHBondContact O-CG 3.31Å; L1854-M1858 PolarHBondContact O-N 3.45Å; I1855-M1858 PolarHBondContact O-N 3.22Å; I1855-M1858 VanDerWaalsContact O-N 3.13Å; E1856-M1858 PolarHBondContact O-N 3.13Å; M1858-H1862 PolarHBondContact O-N 2.92Å; M1858-S1866 PolarHBondContact O-OG 3.22Å |
| 1859 | V | 91.9 | Very high | 90.4 | Very high | 1 Ų | 1 | 32.2 Ų | 32.2 | 1% | 0.006 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -84.4 | -36.6 | 179.1 | -179.5 | 0 | 0 | 0 | 0 | 112.6 | I1855 E1856 R1857 P1863 S1866 A1867 L1870 L1927 L1936 | I1855-V1859 HydrophobicContact CG2-CG2 4.46Å; I1855-V1859 WeakPolarHBondContact O-CG2 3.32Å; I1855-V1859 PolarHBondContact O-N 2.95Å; E1856-V1859 PolarHBondContact O-N 3.11Å; R1857-V1859 VanDerWaalsContact C-N 3.34Å; R1857-V1859 PolarHBondContact O-N 3.39Å; V1859-P1863 WeakPolarHBondContact O-CA 3.3Å; V1859-P1863 WeakPolarHBondContact O-CB 3.32Å; V1859-P1863 WeakPolarHBondContact O-CD 3.1Å; V1859-S1866 WeakPolarHBondContact CA-OG 3.18Å; V1859-A1867 HydrophobicContact CG1-CB 3.95Å; V1859-L1870 HydrophobicContact CG2-CD2 4.48Å; V1859-L1927 HydrophobicContact CB-CD1 3.76Å; V1859-L1927 HydrophobicContact CB-CD2 4.4Å; V1859-L1927 HydrophobicContact CG1-CD1 3.68Å; V1859-L1927 HydrophobicContact CG1-CD2 4.5Å; V1859-L1927 HydrophobicContact CG2-CD1 4.33Å; V1859-L1936 HydrophobicContact CG1-CD2 4.1Å |
| 1860 | D | 90.4 | Very high | 90.6 | Very high | 43 Ų | 43 | 28.1 Ų | 28.1 | 23% | 0.23 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -70.6 | -35.3 | 177 | -171.3 | 56.7 | 0 | 0 | 0 | 112.9 | E1856 L1927 R1932 | E1856-D1860 PolarHBondContact O-N 3.34Å; E1856-D1860 VanDerWaalsContact O-N 3.14Å; D1860-L1927 HydrophobicContact CB-CD2 4.35Å; D1860-R1932 PolarHBondContact O-NE 3.39Å; D1860-R1932 PolarHBondContact O-NH2 2.88Å; D1860-R1932 WeakPolarHBondContact OD1-CG 3.37Å |
| 1861 | W | 90.1 | Very high | 90.7 | Very high | 118 Ų | 118 | 27.2 Ų | 27.2 | 45% | 0.447 | 12% | 0.122 | S | C | . | . | H | α-helix | trans | -79.9 | -44.4 | 177.9 | -77.6 | 67.9 | 0 | 0 | 0 | 113.5 | A1823 R1857 P1863 R1932 G2008 | A1823-W1861 HydrophobicContact CB-CB 4.29Å; A1823-W1861 HydrophobicContact CB-CG 4.43Å; R1857-W1861 WeakPolarHBondContact O-CB 3.42Å; R1857-W1861 VanDerWaalsContact O-CD1 3.25Å; R1857-W1861 PolarHBondContact O-N 2.97Å; W1861-P1863 VanDerWaalsContact C-CD 3.43Å; W1861-P1863 WeakPolarHBondContact O-CD 3.29Å; W1861-R1932 PolarHBondContact O-NH2 3.32Å; W1861-G2008 VanDerWaalsContact O-CA 3.26Å; W1861-G2008 WeakPolarHBondContact O-CA 3.39Å |
| 1862 | H | 93 | Very high | 90.7 | Very high | 2 Ų | 2 | 27.8 Ų | 27.8 | 1% | 0.009 | 12% | 0.124 | C | C | . | . | trans | -128.3 | 52.2 | -171.1 | -57 | -78.4 | 0 | 0 | 0 | 113.7 | D1824 L1827 M1858 H1864 H1865 S1866 D2005 Y2010 | D1824-H1862 PolarHBondContact N-NE2 3.29Å; L1827-H1862 HydrophobicContact CD1-CB 3.91Å; L1827-H1862 HydrophobicContact CD2-CB 3.93Å; L1827-H1862 HydrophobicContact CG-CB 4.43Å; M1858-H1862 PolarHBondContact O-N 2.92Å; H1862-H1864 VanDerWaalsContact C-N 3.31Å; H1862-H1864 PolarHBondContact O-N 3.46Å; H1862-H1864 VanDerWaalsContact O-N 3.14Å; H1862-H1865 PolarHBondContact O-N 2.87Å; H1862-S1866 PolarHBondContact O-N 3.3Å; H1862-S1866 PolarHBondContact O-OG 2.99Å; H1862-D2005 PolarHBondContact CE1-O 2.86Å; H1862-D2005 VanDerWaalsContact CE1-O 3.24Å; H1862-Y2010 HydrophobicContact CB-CE2 4.4Å; H1862-Y2010 AromaticContact ND1-CE2 3.64Å; H1862-Y2010 AromaticContact ND1-CZ 3.77Å; H1862-Y2010 PolarHBondContact ND1-OH 3.06Å | ||
| 1863 | P | 91.6 | Very high | 90.5 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -55.4 | -40 | -168.1 | 20.3 | -32.6 | 0 | 0 | 0 | 113.8 | V1859 W1861 H1865 S1866 A1867 R1932 L1935 | V1859-P1863 WeakPolarHBondContact O-CA 3.3Å; V1859-P1863 WeakPolarHBondContact O-CB 3.32Å; V1859-P1863 WeakPolarHBondContact O-CD 3.1Å; W1861-P1863 VanDerWaalsContact C-CD 3.43Å; W1861-P1863 WeakPolarHBondContact O-CD 3.29Å; P1863-H1865 PolarHBondContact O-N 3.04Å; P1863-H1865 VanDerWaalsContact O-N 3.12Å; P1863-S1866 PolarHBondContact O-N 2.89Å; P1863-A1867 HydrophobicContact CB-CB 4.41Å; P1863-A1867 WeakPolarHBondContact O-CB 3.35Å; P1863-A1867 PolarHBondContact O-N 2.83Å; P1863-R1932 HydrophobicContact CG-CG 4.49Å; P1863-L1935 HydrophobicContact CB-CD2 3.82Å; P1863-L1935 HydrophobicContact CG-CD2 3.52Å |
| 1864 | H | 91.2 | Very high | 90.4 | Very high | 12 Ų | 12 | 20.3 Ų | 20.3 | 6% | 0.056 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -65.6 | -14.8 | -178.6 | -55 | -69.4 | 0 | 0 | 0 | 114.9 | H1862 L1994 A1996 F2002 | H1862-H1864 VanDerWaalsContact C-N 3.31Å; H1862-H1864 PolarHBondContact O-N 3.46Å; H1862-H1864 VanDerWaalsContact O-N 3.14Å; H1864-L1994 PolarHBondContact CE1-O 3.34Å; H1864-A1996 HydrophobicContact CB-CB 4.34Å; H1864-F2002 HydrophobicContact CB-CE2 3.68Å; H1864-F2002 HydrophobicContact CB-CZ 3.84Å |
| 1865 | H | 90 | Very high | 90.3 | Very high | 51 Ų | 51 | 20.5 Ų | 20.5 | 24% | 0.236 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -104.9 | -20.2 | 177.3 | -59.1 | -93.3 | 0 | 0 | 0 | 113.5 | L1827 H1862 P1863 F2002 Y2010 | L1827-H1865 HydrophobicContact CD1-CB 4.09Å; L1827-H1865 HydrophobicContact CD2-CB 3.86Å; H1862-H1865 PolarHBondContact O-N 2.87Å; P1863-H1865 PolarHBondContact O-N 3.04Å; P1863-H1865 VanDerWaalsContact O-N 3.12Å; H1865-F2002 AromaticContact CE1-CD2 3.65Å; H1865-F2002 AromaticContact CE1-CE2 3.67Å; H1865-F2002 AromaticContact NE2-CD2 3.81Å; H1865-F2002 AromaticContact NE2-CE2 3.77Å; H1865-Y2010 AromaticContact CD2-CZ 3.72Å; H1865-Y2010 PolarHBondContact CD2-OH 2.8Å; H1865-Y2010 AromaticContact NE2-CE1 3.48Å; H1865-Y2010 WeakPolarHBondContact NE2-CE1 3.45Å; H1865-Y2010 AromaticContact NE2-CZ 3.57Å; H1865-Y2010 PolarHBondContact NE2-OH 3.17Å |
| 1866 | S | 91 | Very high | 89.8 | Confident | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -125.5 | -27.2 | -168.5 | 57.3 | 0 | 0 | 0 | 0 | 114.7 | M1858 V1859 H1862 P1863 F1868 T1869 L1870 | M1858-S1866 PolarHBondContact O-OG 3.22Å; V1859-S1866 WeakPolarHBondContact CA-OG 3.18Å; H1862-S1866 PolarHBondContact O-N 3.3Å; H1862-S1866 PolarHBondContact O-OG 2.99Å; P1863-S1866 PolarHBondContact O-N 2.89Å; S1866-F1868 PolarHBondContact O-N 2.85Å; S1866-T1869 WeakPolarHBondContact O-CB 3.4Å; S1866-T1869 PolarHBondContact O-N 3.44Å; S1866-L1870 PolarHBondContact O-N 2.85Å |
| 1867 | A | 91.9 | Very high | 89.3 | Confident | 1 Ų | 1 | 23.1 Ų | 23.1 | 1% | 0.008 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -68.1 | -35.6 | -175 | 0 | 0 | 0 | 0 | 0 | 113.1 | V1859 P1863 T1869 L1870 L1871 L1936 M1939 | V1859-A1867 HydrophobicContact CG1-CB 3.95Å; P1863-A1867 HydrophobicContact CB-CB 4.41Å; P1863-A1867 WeakPolarHBondContact O-CB 3.35Å; P1863-A1867 PolarHBondContact O-N 2.83Å; A1867-T1869 VanDerWaalsContact C-N 3.28Å; A1867-T1869 PolarHBondContact O-N 2.85Å; A1867-L1870 PolarHBondContact O-N 3.43Å; A1867-L1871 WeakPolarHBondContact O-CB 3.18Å; A1867-L1871 WeakPolarHBondContact O-CG 3.44Å; A1867-L1871 PolarHBondContact O-N 3.45Å; A1867-L1936 HydrophobicContact CB-CD2 3.71Å; A1867-M1939 HydrophobicContact CB-CE 3.85Å; A1867-M1939 HydrophobicContact CB-SD 4.08Å |
| 1868 | F | 91 | Very high | 88.8 | Confident | 15 Ų | 15 | 23 Ų | 23 | 7% | 0.066 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -61.9 | -36 | 175.3 | -76.6 | -59.7 | 0 | 0 | 0 | 112.3 | S1866 L1870 L1871 F1872 M1939 P1998 I2117 M2119 | S1866-F1868 PolarHBondContact O-N 2.85Å; F1868-L1870 VanDerWaalsContact C-N 3.31Å; F1868-L1870 PolarHBondContact O-N 3.41Å; F1868-L1871 HydrophobicContact CD1-CD1 4.1Å; F1868-L1871 HydrophobicContact CE1-CD1 4.45Å; F1868-L1871 PolarHBondContact O-N 2.57Å; F1868-F1872 PolarHBondContact O-N 3.4Å; F1868-M1939 HydrophobicContact CD1-CE 4.34Å; F1868-M1939 HydrophobicContact CD2-CE 3.51Å; F1868-M1939 HydrophobicContact CE1-CB 4.31Å; F1868-M1939 HydrophobicContact CE1-CE 4.17Å; F1868-M1939 HydrophobicContact CE2-CE 3.31Å; F1868-M1939 HydrophobicContact CG-CE 4.02Å; F1868-M1939 HydrophobicContact CZ-CB 4.39Å; F1868-M1939 HydrophobicContact CZ-CE 3.66Å; F1868-M1939 HydrophobicContact CZ-CG 4.35Å; F1868-P1998 HydrophobicContact CE2-CB 4.04Å; F1868-P1998 HydrophobicContact CE2-CG 4.03Å; F1868-P1998 HydrophobicContact CZ-CB 4.24Å; F1868-P1998 HydrophobicContact CZ-CG 3.82Å; F1868-I2117 HydrophobicContact CB-CG2 3.97Å; F1868-I2117 HydrophobicContact CD2-CD1 4.4Å; F1868-I2117 HydrophobicContact CG-CG2 4.2Å; F1868-M2119 HydrophobicContact CD1-SD 4.27Å; F1868-M2119 HydrophobicContact CE1-SD 4.48Å |
| 1869 | T | 87.5 | Confident | 87.9 | Confident | 32 Ų | 32 | 23.4 Ų | 23.4 | 20% | 0.196 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -66.4 | -32.2 | 176.1 | -42.7 | 0 | 0 | 0 | 0 | 112.6 | V1830 P1831 A1834 S1866 A1867 | V1830-T1869 HydrophobicContact CB-CG2 4.46Å; V1830-T1869 HydrophobicContact CG1-CG2 3.92Å; P1831-T1869 HydrophobicContact CB-CG2 4.09Å; P1831-T1869 HydrophobicContact CG-CG2 3.92Å; A1834-T1869 HydrophobicContact CB-CG2 4.39Å; S1866-T1869 WeakPolarHBondContact O-CB 3.4Å; S1866-T1869 PolarHBondContact O-N 3.44Å; A1867-T1869 VanDerWaalsContact C-N 3.28Å; A1867-T1869 PolarHBondContact O-N 2.85Å |
| 1870 | L | 89.7 | Confident | 86.8 | Confident | 5 Ų | 5 | 27.5 Ų | 27.5 | 3% | 0.026 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -75.4 | -43.1 | 171.3 | -178.2 | 66.4 | 0 | 0 | 0 | 111.3 | V1859 S1866 A1867 F1868 F1872 L1873 V1874 A1920 L1923 L1927 | V1859-L1870 HydrophobicContact CG2-CD2 4.48Å; S1866-L1870 PolarHBondContact O-N 2.85Å; A1867-L1870 PolarHBondContact O-N 3.43Å; F1868-L1870 VanDerWaalsContact C-N 3.31Å; F1868-L1870 PolarHBondContact O-N 3.41Å; L1870-F1872 VanDerWaalsContact C-N 3.29Å; L1870-F1872 PolarHBondContact O-N 2.84Å; L1870-L1873 PolarHBondContact O-N 3.48Å; L1870-L1873 VanDerWaalsContact O-N 3.13Å; L1870-V1874 WeakPolarHBondContact O-CG2 3.47Å; L1870-V1874 PolarHBondContact O-N 3.34Å; L1870-V1874 VanDerWaalsContact O-N 3.12Å; L1870-A1920 HydrophobicContact CD1-CB 3.92Å; L1870-L1923 HydrophobicContact CD2-CD2 4.21Å; L1870-L1927 HydrophobicContact CD2-CD1 3.79Å |
| 1871 | L | 90.7 | Very high | 85.3 | Confident | 2 Ų | 2 | 29.9 Ų | 29.9 | 1% | 0.01 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -59.7 | -38 | 177.8 | -75.4 | 169.9 | 0 | 0 | 0 | 112.1 | A1867 F1868 L1873 V1874 N1875 Y1924 M1939 K1940 | A1867-L1871 WeakPolarHBondContact O-CB 3.18Å; A1867-L1871 WeakPolarHBondContact O-CG 3.44Å; A1867-L1871 PolarHBondContact O-N 3.45Å; F1868-L1871 HydrophobicContact CD1-CD1 4.1Å; F1868-L1871 HydrophobicContact CE1-CD1 4.45Å; F1868-L1871 PolarHBondContact O-N 2.57Å; L1871-L1873 VanDerWaalsContact C-N 3.32Å; L1871-L1873 PolarHBondContact O-N 2.86Å; L1871-V1874 PolarHBondContact O-N 3.38Å; L1871-V1874 VanDerWaalsContact O-N 3.1Å; L1871-N1875 WeakPolarHBondContact O-CB 3.17Å; L1871-N1875 PolarHBondContact O-N 2.85Å; L1871-Y1924 HydrophobicContact CD2-CD2 4.02Å; L1871-Y1924 HydrophobicContact CD2-CE2 3.64Å; L1871-M1939 HydrophobicContact CD1-CB 3.95Å; L1871-K1940 HydrophobicContact CD2-CB 3.77Å; L1871-K1940 HydrophobicContact CD2-CD 4.37Å; L1871-K1940 HydrophobicContact CD2-CG 3.96Å |
| 1872 | F | 88.2 | Confident | 83.3 | Confident | 13 Ų | 13 | 27.9 Ų | 27.9 | 6% | 0.057 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -50 | -48.4 | 171.6 | 155.6 | -106.3 | 0 | 0 | 0 | 112.5 | F1868 L1870 N1875 A1876 R2058 P2118 A2120 L2316 | F1868-F1872 PolarHBondContact O-N 3.4Å; L1870-F1872 VanDerWaalsContact C-N 3.29Å; L1870-F1872 PolarHBondContact O-N 2.84Å; F1872-N1875 PolarHBondContact O-N 3.14Å; F1872-A1876 PolarHBondContact O-N 2.84Å; F1872-A1876 VanDerWaalsContact O-N 3.14Å; F1872-R2058 VanDerWaalsContact CE2-CD 3.44Å; F1872-R2058 HydrophobicContact CE2-CG 4.26Å; F1872-R2058 HydrophobicContact CZ-CG 4.33Å; F1872-P2118 HydrophobicContact CD2-CB 3.77Å; F1872-P2118 HydrophobicContact CE2-CB 4.37Å; F1872-P2118 HydrophobicContact CG-CB 4.16Å; F1872-A2120 WeakPolarHBondContact CD2-O 3.33Å; F1872-A2120 WeakPolarHBondContact CE2-O 3.42Å; F1872-L2316 HydrophobicContact CZ-CD1 4.14Å |
| 1873 | L | 84.5 | Confident | 81 | Confident | 4 Ų | 4 | 32.9 Ų | 32.9 | 2% | 0.021 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -71.7 | -32.4 | 178 | -69.9 | 173.5 | 0 | 0 | 0 | 112.8 | A1834 L1870 L1871 A1920 | A1834-L1873 HydrophobicContact CB-CD1 4.06Å; L1870-L1873 PolarHBondContact O-N 3.48Å; L1870-L1873 VanDerWaalsContact O-N 3.13Å; L1871-L1873 VanDerWaalsContact C-N 3.32Å; L1871-L1873 PolarHBondContact O-N 2.86Å; L1873-A1920 HydrophobicContact CB-CB 3.58Å; L1873-A1920 HydrophobicContact CD1-CB 4.24Å |
| 1874 | V | 88.2 | Confident | 78.4 | Confident | 16 Ų | 16 | 39.8 Ų | 39.8 | 10% | 0.097 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -68.6 | -37.5 | 175.7 | 170.5 | 0 | 0 | 0 | 0 | 111.7 | L1870 L1871 A1920 Q1921 Y1924 | L1870-V1874 WeakPolarHBondContact O-CG2 3.47Å; L1870-V1874 PolarHBondContact O-N 3.34Å; L1870-V1874 VanDerWaalsContact O-N 3.12Å; L1871-V1874 PolarHBondContact O-N 3.38Å; L1871-V1874 VanDerWaalsContact O-N 3.1Å; V1874-A1920 HydrophobicContact CG2-CB 4.25Å; V1874-Q1921 HydrophobicContact CG1-CG 4.26Å; V1874-Q1921 HydrophobicContact CG2-CG 4.28Å; V1874-Y1924 HydrophobicContact CG2-CG 4.26Å |
| 1875 | N | 88.5 | Confident | 75.9 | Confident | 4 Ų | 4 | 45.6 Ų | 45.6 | 2% | 0.021 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -91.8 | -4.6 | -173.7 | -70.1 | -6 | 0 | 0 | 0 | 114 | L1871 F1872 K1877 L1878 M2119 A2120 | L1871-N1875 WeakPolarHBondContact O-CB 3.17Å; L1871-N1875 PolarHBondContact O-N 2.85Å; F1872-N1875 PolarHBondContact O-N 3.14Å; N1875-K1877 PolarHBondContact O-N 3.45Å; N1875-L1878 HydrophobicContact CB-CD1 3.92Å; N1875-L1878 WeakPolarHBondContact O-CB 3.49Å; N1875-L1878 WeakPolarHBondContact O-CG 3.4Å; N1875-L1878 PolarHBondContact O-N 3.1Å; N1875-M2119 VanDerWaalsContact CB-O 3.3Å; N1875-M2119 WeakPolarHBondContact CB-O 3.3Å; N1875-M2119 PolarHBondContact ND2-O 3.09Å; N1875-A2120 HydrophobicContact CB-CB 4.37Å |
| 1876 | A | 81 | Confident | 73.1 | Confident | 2 Ų | 2 | 51 Ų | 51 | 2% | 0.017 | 27% | 0.268 | C | S | . | . | G | 310 helix | trans | -51.8 | -27.7 | -168.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | F1872 I1917 Q2121 | F1872-A1876 PolarHBondContact O-N 2.84Å; F1872-A1876 VanDerWaalsContact O-N 3.14Å; A1876-I1917 HydrophobicContact CB-CD1 4.12Å; A1876-I1917 HydrophobicContact CB-CG1 4.38Å; A1876-Q2121 HydrophobicContact CB-CB 4.48Å |
| 1877 | K | 81.2 | Confident | 70.1 | Confident | 110 Ų | 110 | 54.6 Ų | 54.6 | 48% | 0.478 | 31% | 0.305 | S | S | . | . | G | 310 helix | trans | -81.1 | -16.4 | 178.9 | -62.5 | -168.8 | 174.2 | -167 | 0 | 115.4 | N1875 D1879 D1880 D1881 I1917 | N1875-K1877 PolarHBondContact O-N 3.45Å; K1877-D1879 PolarHBondContact O-N 3.33Å; K1877-D1879 VanDerWaalsContact O-N 3.1Å; K1877-D1880 PolarHBondContact O-N 3.35Å; K1877-D1881 PolarHBondContact O-N 2.77Å; K1877-I1917 HydrophobicContact CG-CD1 4.43Å |
| 1878 | L | 81.5 | Confident | 67 | Low | 51 Ų | 51 | 60.2 Ų | 60.2 | 27% | 0.267 | 34% | 0.344 | S | S | . | . | G | 310 helix | trans | -67 | -13.4 | -174.4 | -64.8 | 177.8 | 0 | 0 | 0 | 113.9 | N1875 E1944 V1947 | N1875-L1878 HydrophobicContact CB-CD1 3.92Å; N1875-L1878 WeakPolarHBondContact O-CB 3.49Å; N1875-L1878 WeakPolarHBondContact O-CG 3.4Å; N1875-L1878 PolarHBondContact O-N 3.1Å; L1878-E1944 HydrophobicContact CD1-CG 4.05Å; L1878-V1947 HydrophobicContact CB-CG1 3.95Å |
| 1879 | D | 73.8 | Confident | 64 | Low | 9 Ų | 9 | 71 Ų | 71 | 5% | 0.048 | 39% | 0.385 | C | S | . | . | G | 310 helix | trans | -79.6 | -22 | 171.4 | -70.4 | -53.2 | 0 | 0 | 0 | 113.1 | K1877 N1883 N1951 A2120 Q2121 R2122 S2123 | K1877-D1879 PolarHBondContact O-N 3.33Å; K1877-D1879 VanDerWaalsContact O-N 3.1Å; D1879-N1883 PolarHBondContact O-ND2 3.47Å; D1879-N1951 PolarHBondContact OD1-ND2 3.4Å; D1879-A2120 WeakPolarHBondContact OD2-CB 3.34Å; D1879-Q2121 PolarHBondContact OD2-N 3.11Å; D1879-R2122 HydrophobicContact CB-CB 4.19Å; D1879-R2122 PolarHBondContact OD2-N 3.16Å; D1879-S2123 VanDerWaalsContact OD1-CB 3.29Å; D1879-S2123 WeakPolarHBondContact OD1-CB 3.35Å; D1879-S2123 PolarHBondContact OD1-OG 2.89Å |
| 1880 | D | 69 | Low | 61.1 | Low | 88 Ų | 88 | 78.3 Ų | 78.3 | 47% | 0.471 | 42% | 0.416 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | -48.1 | 179.3 | -64.2 | -36 | 0 | 0 | 0 | 110.8 | K1877 N1882 N1883 | K1877-D1880 PolarHBondContact O-N 3.35Å; D1880-N1882 PolarHBondContact O-N 3.47Å; D1880-N1883 PolarHBondContact O-N 3.01Å; D1880-N1883 PolarHBondContact O-ND2 3.06Å; D1880-N1883 VanDerWaalsContact O-ND2 3.08Å |
| 1881 | D | 57.1 | Low | 58.1 | Low | 92 Ų | 92 | 89.7 Ų | 89.7 | 49% | 0.492 | 46% | 0.459 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.7 | -23.7 | -174.8 | -66.7 | -35 | 0 | 0 | 0 | 114.3 | K1877 | K1877-D1881 PolarHBondContact O-N 2.77Š|
| 1882 | N | 48.7 | Very low | 55.1 | Low | 76 Ų | 76 | 94.5 Ų | 94.5 | 41% | 0.406 | 49% | 0.492 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | -13.9 | -178.7 | -90.7 | -24.4 | 0 | 0 | 0 | 114.7 | D1880 | D1880-N1882 PolarHBondContact O-N 3.47Š|
| 1883 | N | 44.5 | Very low | 52.1 | Low | 107 Ų | 107 | 100.1 Ų | 100.1 | 57% | 0.572 | 53% | 0.528 | S | S | * | . | S | Bend | trans | -82.1 | -22.8 | 179.6 | -58.9 | -77.6 | 0 | 0 | 0 | 112.9 | D1879 D1880 N1885 | D1879-N1883 PolarHBondContact O-ND2 3.47Å; D1880-N1883 PolarHBondContact O-N 3.01Å; D1880-N1883 PolarHBondContact O-ND2 3.06Å; D1880-N1883 VanDerWaalsContact O-ND2 3.08Å; N1883-N1885 VanDerWaalsContact C-N 3.28Å; N1883-N1885 PolarHBondContact O-N 3.39Å |
| 1884 | D | 38.4 | Very low | 49.4 | Very low | 145 Ų | 145 | 110.9 Ų | 110.9 | 78% | 0.775 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.4 | -3.7 | -172.6 | -79.4 | -5.6 | 0 | 0 | 0 | 114.6 | ||
| 1885 | N | 37.1 | Very low | 46.4 | Very low | 134 Ų | 134 | 116.3 Ų | 116.3 | 72% | 0.717 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.5 | -10 | -178.1 | -81 | -64 | 0 | 0 | 0 | 114.7 | N1883 G1887 | N1883-N1885 VanDerWaalsContact C-N 3.28Å; N1883-N1885 PolarHBondContact O-N 3.39Å; N1885-G1887 PolarHBondContact O-N 3.27Å |
| 1886 | D | 31.2 | Very low | 43.5 | Very low | 165 Ų | 165 | 123.6 Ų | 123.6 | 88% | 0.882 | 64% | 0.64 | S | S | * | * | S | Bend | trans | -78.9 | 67.7 | 176.1 | -99.8 | -17.4 | 0 | 0 | 0 | 112.8 | ||
| 1887 | G | 28.6 | Very low | 41.1 | Very low | 75 Ų | 75 | 128.3 Ų | 128.3 | 77% | 0.773 | 67% | 0.673 | S | S | * | * | S | Bend | trans | 74.8 | 42.4 | 134.6 | 0 | 0 | 0 | 0 | 0 | 119.1 | N1885 | N1885-G1887 PolarHBondContact O-N 3.27Š|
| 1888 | S | 27.7 | Very low | 38.5 | Very low | 119 Ų | 119 | 130.1 Ų | 130.1 | 83% | 0.832 | 69% | 0.687 | S | S | * | * | trans | -132.3 | 127.9 | 159.4 | 74.1 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1889 | R | 27.5 | Very low | 35.8 | Very low | 243 Ų | 243 | 136.2 Ų | 136.2 | 92% | 0.917 | 71% | 0.711 | S | S | * | * | trans | -114.8 | 149.3 | 173.3 | -79.6 | -179.1 | 168.3 | 172.1 | -3.2 | 109.8 | ||||
| 1890 | Q | 27.3 | Very low | 33.6 | Very low | 184 Ų | 184 | 139.8 Ų | 139.8 | 86% | 0.86 | 74% | 0.742 | S | S | * | * | trans | 82 | 92.9 | 168.8 | -50.6 | -175.9 | 1.3 | 0 | 0 | 118.7 | ||||
| 1891 | R | 25.9 | Very low | 31.5 | Very low | 245 Ų | 245 | 141.1 Ų | 141.1 | 93% | 0.925 | 76% | 0.758 | S | S | * | * | 168.4 | 144.1 | 124.9 | -90.8 | 158.7 | -178.4 | -176.3 | 1 | 109.1 | |||||
| 1892 | S | 27 | Very low | 30 | Very low | 102 Ų | 102 | 143 Ų | 143 | 71% | 0.713 | 77% | 0.773 | S | S | * | * | cis | -158.4 | 157.4 | -8.9 | 48.1 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1893 | T | 26.1 | Very low | 28.8 | Very low | 131 Ų | 131 | 149.1 Ų | 149.1 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | trans | -76.5 | 161.6 | 160.7 | 46 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1894 | R | 26.7 | Very low | 27.9 | Very low | 231 Ų | 231 | 149.8 Ų | 149.8 | 87% | 0.872 | 81% | 0.808 | S | S | * | * | trans | 74.7 | 143.9 | -161.7 | -49.2 | 171.2 | 176 | 176.6 | -2.4 | 110.7 | ||||
| 1895 | V | 25 | Very low | 27.4 | Very low | 129 Ų | 129 | 150.1 Ų | 150.1 | 78% | 0.782 | 81% | 0.808 | S | S | * | * | cis | -131 | 153.2 | 26.7 | 169.7 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1896 | N | 28.5 | Very low | 27 | Very low | 158 Ų | 158 | 148.6 Ų | 148.6 | 85% | 0.845 | 81% | 0.805 | S | S | * | * | trans | -111.6 | 152.7 | 162.9 | -123.1 | -9.3 | 0 | 0 | 0 | 108.7 | ||||
| 1897 | S | 31 | Very low | 27.3 | Very low | 100 Ų | 100 | 147.2 Ų | 147.2 | 70% | 0.699 | 80% | 0.798 | S | S | * | * | trans | 86.1 | 151.5 | 179.5 | 82.5 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 1898 | L | 25.8 | Very low | 27.9 | Very low | 148 Ų | 148 | 150.8 Ų | 150.8 | 78% | 0.775 | 79% | 0.794 | S | S | * | * | trans | 68.4 | 138.6 | -172.9 | -48.1 | 169.8 | 0 | 0 | 0 | 114.2 | ||||
| 1899 | K | 25.3 | Very low | 28.7 | Very low | 179 Ų | 179 | 148.9 Ų | 148.9 | 78% | 0.778 | 78% | 0.781 | S | S | * | * | cis | -157 | 137.2 | -16 | -114 | 176 | 178.8 | 177.1 | 0 | 105.6 | ||||
| 1900 | A | 27.9 | Very low | 29.8 | Very low | 84 Ų | 84 | 141.1 Ų | 141.1 | 69% | 0.694 | 76% | 0.764 | S | S | * | * | 36.8 | 128.5 | 95.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | |||||
| 1901 | S | 25 | Very low | 31.4 | Very low | 116 Ų | 116 | 135.5 Ų | 135.5 | 81% | 0.811 | 74% | 0.742 | S | S | * | * | trans | 55.3 | 91.3 | 162.1 | 65.4 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 1902 | T | 24.3 | Very low | 33.1 | Very low | 131 Ų | 131 | 127.7 Ų | 127.7 | 80% | 0.804 | 72% | 0.716 | S | S | * | * | -151.9 | 138 | 126.5 | 27.2 | 0 | 0 | 0 | 0 | 109 | T1904 | T1902-T1904 PolarHBondContact O-N 2.92Š| |||
| 1903 | E | 25.5 | Very low | 35 | Very low | 205 Ų | 205 | 124.6 Ų | 124.6 | 96% | 0.958 | 69% | 0.692 | S | S | * | * | trans | -86.7 | 98.4 | -179.7 | -65.4 | 174.6 | 131.2 | 0 | 0 | 110.6 | ||||
| 1904 | T | 25.6 | Very low | 37.2 | Very low | 121 Ų | 121 | 120.8 Ų | 120.8 | 74% | 0.742 | 67% | 0.67 | S | S | * | * | trans | -127.5 | 123.8 | 167.4 | 50.7 | 0 | 0 | 0 | 0 | 109.3 | T1902 | T1902-T1904 PolarHBondContact O-N 2.92Š| ||
| 1905 | I | 26.8 | Very low | 39.6 | Very low | 153 Ų | 153 | 110.6 Ų | 110.6 | 79% | 0.785 | 64% | 0.635 | S | S | * | * | trans | -62.7 | 123.3 | -173.1 | -60.5 | 165.9 | 0 | 0 | 0 | 109.5 | ||||
| 1906 | P | 28.5 | Very low | 42.2 | Very low | 102 Ų | 102 | 106 Ų | 106 | 66% | 0.662 | 60% | 0.603 | S | S | * | * | trans | -72.5 | 132.9 | 179.9 | 28.7 | -33.8 | 0 | 0 | 0 | 111.1 | Q1908 | P1906-Q1908 PolarHBondContact O-N 2.87Š| ||
| 1907 | N | 37 | Very low | 44.8 | Very low | 135 Ų | 135 | 98.9 Ų | 98.9 | 72% | 0.722 | 57% | 0.565 | S | S | * | * | trans | -58.7 | 102.7 | 175.7 | -77 | -22.3 | 0 | 0 | 0 | 110.7 | S1909 S1910 | N1907-S1909 VanDerWaalsContact C-N 3.28Å; N1907-S1909 PolarHBondContact O-N 3.04Å; N1907-S1910 PolarHBondContact O-OG 3.08Å | ||
| 1908 | Q | 41.9 | Very low | 47.3 | Very low | 150 Ų | 150 | 98.6 Ų | 98.6 | 70% | 0.701 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -63.6 | -31.3 | -166.7 | -64.8 | 178.2 | -16.2 | 0 | 0 | 113.7 | P1906 S1910 T1911 | P1906-Q1908 PolarHBondContact O-N 2.87Å; Q1908-S1910 PolarHBondContact O-N 3.07Å; Q1908-T1911 PolarHBondContact O-N 3.31Å; Q1908-T1911 PolarHBondContact O-OG1 3.03Å |
| 1909 | S | 45.3 | Very low | 50.2 | Low | 80 Ų | 80 | 91.7 Ų | 91.7 | 56% | 0.559 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -59 | -39.6 | -173.4 | 51.2 | 0 | 0 | 0 | 0 | 114.5 | N1907 T1911 E1912 | N1907-S1909 VanDerWaalsContact C-N 3.28Å; N1907-S1909 PolarHBondContact O-N 3.04Å; S1909-T1911 VanDerWaalsContact C-N 3.28Å; S1909-T1911 PolarHBondContact O-N 3.07Å; S1909-E1912 PolarHBondContact O-N 3.32Å |
| 1910 | S | 50.2 | Low | 53.2 | Low | 80 Ų | 80 | 83.2 Ų | 83.2 | 56% | 0.559 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -65.6 | -32.4 | -179.8 | 62.5 | 0 | 0 | 0 | 0 | 112.5 | N1907 Q1908 S1914 | N1907-S1910 PolarHBondContact O-OG 3.08Å; Q1908-S1910 PolarHBondContact O-N 3.07Å; S1910-S1914 PolarHBondContact O-N 2.96Å |
| 1911 | T | 59.3 | Low | 56.1 | Low | 65 Ų | 65 | 82.7 Ų | 82.7 | 40% | 0.399 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -69.6 | -36.8 | -178.9 | 75.3 | 0 | 0 | 0 | 0 | 112.2 | Q1908 S1909 C1915 | Q1908-T1911 PolarHBondContact O-N 3.31Å; Q1908-T1911 PolarHBondContact O-OG1 3.03Å; S1909-T1911 VanDerWaalsContact C-N 3.28Å; S1909-T1911 PolarHBondContact O-N 3.07Å; T1911-C1915 PolarHBondContact O-N 3.22Å; T1911-C1915 PolarHBondContact O-SG 3.17Å |
| 1912 | E | 61.8 | Low | 59.2 | Low | 81 Ų | 81 | 82.3 Ų | 82.3 | 38% | 0.379 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -70.5 | -43.2 | -179.1 | -68.4 | -153.8 | 168.4 | 0 | 0 | 112.8 | S1909 S1914 C1915 R1916 | S1909-E1912 PolarHBondContact O-N 3.32Å; E1912-S1914 VanDerWaalsContact C-N 3.26Å; E1912-S1914 PolarHBondContact O-N 2.87Å; E1912-C1915 WeakPolarHBondContact O-CB 3.44Å; E1912-C1915 PolarHBondContact O-N 3.49Å; E1912-C1915 VanDerWaalsContact O-N 3.08Å; E1912-R1916 WeakPolarHBondContact O-CG 3.38Å; E1912-R1916 PolarHBondContact O-N 3.02Å; E1912-R1916 IonicContact OE2-CZ 3.66Å; E1912-R1916 IonicContact OE2-NE 3.7Å; E1912-R1916 IonicContact OE2-NH2 3.84Å; E1912-R1916 PolarHBondContact OE2-NH2 3.13Å |
| 1913 | L | 67.2 | Low | 62.3 | Low | 37 Ų | 37 | 76.1 Ų | 76.1 | 19% | 0.194 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -58.7 | -42.1 | 179.6 | 179.5 | 59.7 | 0 | 0 | 0 | 111 | C1915 R1916 I1917 L2316 | L1913-C1915 VanDerWaalsContact C-N 3.33Å; L1913-C1915 PolarHBondContact O-N 3.44Å; L1913-R1916 PolarHBondContact O-N 3.39Å; L1913-I1917 HydrophobicContact CD1-CD1 4.12Å; L1913-I1917 HydrophobicContact CD1-CG1 4.34Å; L1913-I1917 HydrophobicContact CG-CD1 3.94Å; L1913-I1917 WeakPolarHBondContact O-CG1 3.34Å; L1913-I1917 PolarHBondContact O-N 2.91Å; L1913-L2316 HydrophobicContact CD1-CD1 3.91Å; L1913-L2316 HydrophobicContact CD1-CD2 3.71Å; L1913-L2316 HydrophobicContact CD1-CG 3.92Å; L1913-L2316 HydrophobicContact CD2-CD2 3.67Å; L1913-L2316 HydrophobicContact CG-CD2 4.3Å |
| 1914 | S | 72.7 | Confident | 65.4 | Low | 51 Ų | 51 | 67.3 Ų | 67.3 | 36% | 0.357 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -61.2 | -39.4 | 175.8 | -168.1 | 0 | 0 | 0 | 0 | 112.6 | S1910 E1912 Q1918 | S1910-S1914 PolarHBondContact O-N 2.96Å; E1912-S1914 VanDerWaalsContact C-N 3.26Å; E1912-S1914 PolarHBondContact O-N 2.87Å; S1914-Q1918 WeakPolarHBondContact O-CG 3.38Å; S1914-Q1918 PolarHBondContact O-N 3.17Å |
| 1915 | C | 78 | Confident | 68.5 | Low | 18 Ų | 18 | 66.2 Ų | 66.2 | 12% | 0.122 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -64.8 | -40.7 | 174.6 | -71.2 | 0 | 0 | 0 | 0 | 112.6 | S1839 T1911 E1912 L1913 Q1918 A1919 | S1839-C1915 WeakPolarHBondContact OG-CA 3.28Å; S1839-C1915 VanDerWaalsContact OG-CB 3.32Å; S1839-C1915 WeakPolarHBondContact OG-CB 3.38Å; S1839-C1915 PolarHBondContact OG-O 3.4Å; S1839-C1915 PolarHBondContact OG-SG 3.15Å; T1911-C1915 PolarHBondContact O-N 3.22Å; T1911-C1915 PolarHBondContact O-SG 3.17Å; E1912-C1915 WeakPolarHBondContact O-CB 3.44Å; E1912-C1915 PolarHBondContact O-N 3.49Å; E1912-C1915 VanDerWaalsContact O-N 3.08Å; L1913-C1915 VanDerWaalsContact C-N 3.33Å; L1913-C1915 PolarHBondContact O-N 3.44Å; C1915-Q1918 PolarHBondContact O-N 3.18Å; C1915-A1919 PolarHBondContact O-N 3.12Å |
| 1916 | R | 78.8 | Confident | 71.5 | Confident | 33 Ų | 33 | 65.7 Ų | 65.7 | 13% | 0.125 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -64.7 | -44.6 | 178.1 | -64.2 | 169.4 | -166.2 | -128.8 | 12.7 | 111.2 | V1835 L1837 E1912 L1913 A1919 A1920 F2313 | V1835-R1916 PolarHBondContact O-NH1 3.48Å; L1837-R1916 WeakPolarHBondContact O-CA 3.36Å; L1837-R1916 VanDerWaalsContact O-CG 3.29Å; L1837-R1916 WeakPolarHBondContact O-CG 3.24Å; E1912-R1916 WeakPolarHBondContact O-CG 3.38Å; E1912-R1916 PolarHBondContact O-N 3.02Å; E1912-R1916 IonicContact OE2-CZ 3.66Å; E1912-R1916 IonicContact OE2-NE 3.7Å; E1912-R1916 IonicContact OE2-NH2 3.84Å; E1912-R1916 PolarHBondContact OE2-NH2 3.13Å; L1913-R1916 PolarHBondContact O-N 3.39Å; R1916-A1919 PolarHBondContact O-N 3.03Å; R1916-A1920 PolarHBondContact O-N 3.04Å; R1916-F2313 PolarHBondContact NH1-O 3.39Å; R1916-F2313 PolarHBondContact NH2-O 3.12Å |
| 1917 | I | 82.8 | Confident | 74.4 | Confident | 8 Ų | 8 | 61.4 Ų | 61.4 | 4% | 0.041 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -62.4 | -45 | 175.6 | -65.7 | 167.3 | 0 | 0 | 0 | 111 | A1876 K1877 L1913 A1919 A1920 Q1921 | A1876-I1917 HydrophobicContact CB-CD1 4.12Å; A1876-I1917 HydrophobicContact CB-CG1 4.38Å; K1877-I1917 HydrophobicContact CG-CD1 4.43Å; L1913-I1917 HydrophobicContact CD1-CD1 4.12Å; L1913-I1917 HydrophobicContact CD1-CG1 4.34Å; L1913-I1917 HydrophobicContact CG-CD1 3.94Å; L1913-I1917 WeakPolarHBondContact O-CG1 3.34Å; L1913-I1917 PolarHBondContact O-N 2.91Å; I1917-A1919 PolarHBondContact O-N 3.26Å; I1917-A1920 PolarHBondContact O-N 3.05Å; I1917-Q1921 HydrophobicContact CG2-CG 4.38Å; I1917-Q1921 WeakPolarHBondContact O-CB 3.22Å; I1917-Q1921 VanDerWaalsContact O-CG 3.32Å; I1917-Q1921 WeakPolarHBondContact O-CG 3.49Å; I1917-Q1921 PolarHBondContact O-N 3.27Å |
| 1918 | Q | 84.1 | Confident | 76.7 | Confident | 94 Ų | 94 | 56.4 Ų | 56.4 | 44% | 0.439 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -60.1 | -44.3 | 176.4 | -80.6 | -177.1 | -18.9 | 0 | 0 | 112.6 | S1914 C1915 Q1921 Q1922 | S1914-Q1918 WeakPolarHBondContact O-CG 3.38Å; S1914-Q1918 PolarHBondContact O-N 3.17Å; C1915-Q1918 PolarHBondContact O-N 3.18Å; Q1918-Q1921 PolarHBondContact O-N 2.86Å; Q1918-Q1922 WeakPolarHBondContact O-CG 3.48Å; Q1918-Q1922 PolarHBondContact O-N 3.39Å |
| 1919 | A | 85.9 | Confident | 78.8 | Confident | 3 Ų | 3 | 56.3 Ų | 56.3 | 3% | 0.025 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -62.8 | -44.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | L1837 C1915 R1916 I1917 Q1921 Q1922 L1923 | L1837-A1919 HydrophobicContact CB-CB 3.96Å; C1915-A1919 PolarHBondContact O-N 3.12Å; R1916-A1919 PolarHBondContact O-N 3.03Å; I1917-A1919 PolarHBondContact O-N 3.26Å; A1919-Q1921 PolarHBondContact O-N 3.27Å; A1919-Q1922 PolarHBondContact O-N 2.76Å; A1919-L1923 WeakPolarHBondContact O-CB 3.46Å; A1919-L1923 PolarHBondContact O-N 3.14Å |
| 1920 | A | 88.4 | Confident | 80.6 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -61.7 | -41.1 | 175 | 0 | 0 | 0 | 0 | 0 | 112.7 | L1870 L1873 V1874 R1916 I1917 L1923 Y1924 | L1870-A1920 HydrophobicContact CD1-CB 3.92Å; L1873-A1920 HydrophobicContact CB-CB 3.58Å; L1873-A1920 HydrophobicContact CD1-CB 4.24Å; V1874-A1920 HydrophobicContact CG2-CB 4.25Å; R1916-A1920 PolarHBondContact O-N 3.04Å; I1917-A1920 PolarHBondContact O-N 3.05Å; A1920-L1923 PolarHBondContact O-N 3.17Å; A1920-Y1924 WeakPolarHBondContact O-CB 3.5Å; A1920-Y1924 PolarHBondContact O-N 2.97Å |
| 1921 | Q | 89.4 | Confident | 82.2 | Confident | 73 Ų | 73 | 58.6 Ų | 58.6 | 34% | 0.341 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -65.7 | -40.5 | 176.2 | -73.6 | 176.7 | -8.3 | 0 | 0 | 112.5 | V1874 I1917 Q1918 A1919 N1925 | V1874-Q1921 HydrophobicContact CG1-CG 4.26Å; V1874-Q1921 HydrophobicContact CG2-CG 4.28Å; I1917-Q1921 HydrophobicContact CG2-CG 4.38Å; I1917-Q1921 WeakPolarHBondContact O-CB 3.22Å; I1917-Q1921 VanDerWaalsContact O-CG 3.32Å; I1917-Q1921 WeakPolarHBondContact O-CG 3.49Å; I1917-Q1921 PolarHBondContact O-N 3.27Å; Q1918-Q1921 PolarHBondContact O-N 2.86Å; A1919-Q1921 PolarHBondContact O-N 3.27Å; Q1921-N1925 WeakPolarHBondContact O-CB 3.22Å; Q1921-N1925 PolarHBondContact O-N 3.35Å; Q1921-N1925 PolarHBondContact O-ND2 3.47Å |
| 1922 | Q | 89 | Confident | 83.4 | Confident | 108 Ų | 108 | 56.9 Ų | 56.9 | 51% | 0.505 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -61.9 | -42.2 | 173.6 | -72.7 | 176.7 | 7.8 | 0 | 0 | 112 | Q1918 A1919 N1925 R1926 | Q1918-Q1922 WeakPolarHBondContact O-CG 3.48Å; Q1918-Q1922 PolarHBondContact O-N 3.39Å; A1919-Q1922 PolarHBondContact O-N 2.76Å; Q1922-N1925 PolarHBondContact O-N 3.21Å; Q1922-R1926 PolarHBondContact O-N 3.18Å; Q1922-R1926 VanDerWaalsContact O-N 3.15Å |
| 1923 | L | 89.7 | Confident | 84.7 | Confident | 2 Ų | 2 | 58.9 Ų | 58.9 | 1% | 0.01 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -68.4 | -43.7 | 179.6 | -150.1 | 167.9 | 0 | 0 | 0 | 111.2 | L1837 M1852 I1855 E1856 L1870 A1919 A1920 N1925 R1926 L1927 | L1837-L1923 HydrophobicContact CD1-CD1 3.99Å; L1837-L1923 HydrophobicContact CD2-CD1 4.14Å; M1852-L1923 HydrophobicContact CB-CD1 4.4Å; M1852-L1923 HydrophobicContact CG-CD1 4.22Å; M1852-L1923 HydrophobicContact SD-CD1 4.15Å; M1852-L1923 HydrophobicContact SD-CG 4.37Å; I1855-L1923 HydrophobicContact CB-CD1 4.12Å; I1855-L1923 HydrophobicContact CG2-CD1 3.86Å; I1855-L1923 HydrophobicContact CG2-CD2 4.41Å; E1856-L1923 HydrophobicContact CB-CD2 4.08Å; L1870-L1923 HydrophobicContact CD2-CD2 4.21Å; A1919-L1923 WeakPolarHBondContact O-CB 3.46Å; A1919-L1923 PolarHBondContact O-N 3.14Å; A1920-L1923 PolarHBondContact O-N 3.17Å; L1923-N1925 PolarHBondContact O-N 3.01Å; L1923-R1926 PolarHBondContact O-N 2.8Å; L1923-L1927 HydrophobicContact CD2-CD1 3.43Å; L1923-L1927 VanDerWaalsContact CD2-CD1 3.43Å; L1923-L1927 HydrophobicContact CD2-CG 4.07Å; L1923-L1927 PolarHBondContact O-N 3.39Å; L1923-L1927 VanDerWaalsContact O-N 3.09Å |
| 1924 | Y | 91.5 | Very high | 85.7 | Confident | 19 Ų | 19 | 62.6 Ų | 62.6 | 8% | 0.075 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -60 | -42.2 | 172.8 | 178 | -91.4 | 0 | 0 | 0 | 112.5 | L1871 V1874 A1920 R1926 L1927 S1928 L1936 K1940 | L1871-Y1924 HydrophobicContact CD2-CD2 4.02Å; L1871-Y1924 HydrophobicContact CD2-CE2 3.64Å; V1874-Y1924 HydrophobicContact CG2-CG 4.26Å; A1920-Y1924 WeakPolarHBondContact O-CB 3.5Å; A1920-Y1924 PolarHBondContact O-N 2.97Å; Y1924-R1926 VanDerWaalsContact C-N 3.33Å; Y1924-R1926 PolarHBondContact O-N 3.37Å; Y1924-L1927 PolarHBondContact O-N 2.91Å; Y1924-S1928 WeakPolarHBondContact CE1-OG 3.39Å; Y1924-S1928 WeakPolarHBondContact O-CB 3.38Å; Y1924-S1928 PolarHBondContact O-N 2.93Å; Y1924-S1928 PolarHBondContact O-OG 3.22Å; Y1924-L1936 HydrophobicContact CE2-CB 4.38Å; Y1924-K1940 HydrophobicContact CE1-CD 4.35Å |
| 1925 | N | 90.3 | Very high | 86.5 | Confident | 99 Ų | 99 | 60.8 Ų | 60.8 | 53% | 0.529 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -65.3 | -33.7 | 179.1 | -72.6 | -15.4 | 0 | 0 | 0 | 112.5 | Q1921 Q1922 L1923 | Q1921-N1925 WeakPolarHBondContact O-CB 3.22Å; Q1921-N1925 PolarHBondContact O-N 3.35Å; Q1921-N1925 PolarHBondContact O-ND2 3.47Å; Q1922-N1925 PolarHBondContact O-N 3.21Å; L1923-N1925 PolarHBondContact O-N 3.01Å |
| 1926 | R | 89.2 | Confident | 87.2 | Confident | 142 Ų | 142 | 60 Ų | 60 | 54% | 0.536 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -64.8 | -53.1 | 170.2 | -76.9 | -177.2 | 169.6 | 179.9 | -0.3 | 111.9 | Q1922 L1923 Y1924 S1928 I1929 | Q1922-R1926 PolarHBondContact O-N 3.18Å; Q1922-R1926 VanDerWaalsContact O-N 3.15Å; L1923-R1926 PolarHBondContact O-N 2.8Å; Y1924-R1926 VanDerWaalsContact C-N 3.33Å; Y1924-R1926 PolarHBondContact O-N 3.37Å; R1926-S1928 PolarHBondContact O-N 2.92Å; R1926-I1929 PolarHBondContact O-N 2.93Å |
| 1927 | L | 89.8 | Confident | 87.8 | Confident | 12 Ų | 12 | 65.5 Ų | 65.5 | 6% | 0.063 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -60.1 | -32.5 | -179.2 | -72.7 | 165.7 | 0 | 0 | 0 | 112.7 | E1856 V1859 D1860 L1870 L1923 Y1924 I1929 G1930 L1936 | E1856-L1927 HydrophobicContact CG-CD2 4.02Å; E1856-L1927 HydrophobicContact CG-CG 4.47Å; V1859-L1927 HydrophobicContact CB-CD1 3.76Å; V1859-L1927 HydrophobicContact CB-CD2 4.4Å; V1859-L1927 HydrophobicContact CG1-CD1 3.68Å; V1859-L1927 HydrophobicContact CG1-CD2 4.5Å; V1859-L1927 HydrophobicContact CG2-CD1 4.33Å; D1860-L1927 HydrophobicContact CB-CD2 4.35Å; L1870-L1927 HydrophobicContact CD2-CD1 3.79Å; L1923-L1927 HydrophobicContact CD2-CD1 3.43Å; L1923-L1927 VanDerWaalsContact CD2-CD1 3.43Å; L1923-L1927 HydrophobicContact CD2-CG 4.07Å; L1923-L1927 PolarHBondContact O-N 3.39Å; L1923-L1927 VanDerWaalsContact O-N 3.09Å; Y1924-L1927 PolarHBondContact O-N 2.91Å; L1927-I1929 PolarHBondContact O-N 3.12Å; L1927-G1930 PolarHBondContact O-N 2.9Å; L1927-L1936 HydrophobicContact CB-CD1 3.76Å |
| 1928 | S | 85.5 | Confident | 88.3 | Confident | 29 Ų | 29 | 66 Ų | 66 | 20% | 0.203 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -11.8 | 176.5 | -62.1 | 0 | 0 | 0 | 0 | 114.7 | Y1924 R1926 K1933 | Y1924-S1928 WeakPolarHBondContact CE1-OG 3.39Å; Y1924-S1928 WeakPolarHBondContact O-CB 3.38Å; Y1924-S1928 PolarHBondContact O-N 2.93Å; Y1924-S1928 PolarHBondContact O-OG 3.22Å; R1926-S1928 PolarHBondContact O-N 2.92Å; S1928-K1933 WeakPolarHBondContact O-CB 3.42Å; S1928-K1933 VanDerWaalsContact O-CG 3.25Å; S1928-K1933 WeakPolarHBondContact O-CG 3.3Å |
| 1929 | I | 85.9 | Confident | 88.7 | Confident | 149 Ų | 149 | 61.6 Ų | 61.6 | 76% | 0.764 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.9 | -17.8 | 173.9 | -59 | 164.3 | 0 | 0 | 0 | 110.7 | R1926 L1927 | R1926-I1929 PolarHBondContact O-N 2.93Å; L1927-I1929 PolarHBondContact O-N 3.12Å |
| 1930 | G | 82.9 | Confident | 89 | Confident | 36 Ų | 36 | 64.2 Ų | 64.2 | 37% | 0.371 | 30% | 0.297 | S | S | . | . | S | Bend | trans | -86.1 | -170.8 | -174.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | L1927 R1932 K1933 | L1927-G1930 PolarHBondContact O-N 2.9Å; G1930-R1932 PolarHBondContact O-N 2.84Å; G1930-K1933 PolarHBondContact O-N 3.05Å; G1930-K1933 VanDerWaalsContact O-N 3.15Å |
| 1931 | R | 83.8 | Confident | 89.2 | Confident | 172 Ų | 172 | 67.2 Ų | 67.2 | 65% | 0.649 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.2 | -32 | -175.3 | 177 | -177 | 175 | -171.1 | -1 | 114.6 | ||
| 1932 | R | 85.7 | Confident | 89.3 | Confident | 28 Ų | 28 | 63.8 Ų | 63.8 | 11% | 0.106 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.9 | 8.9 | -172.6 | -56.6 | -62.2 | -172.9 | 161.9 | 9.3 | 115 | D1860 W1861 P1863 G1930 E1934 L1935 L1936 G2008 | D1860-R1932 PolarHBondContact O-NE 3.39Å; D1860-R1932 PolarHBondContact O-NH2 2.88Å; D1860-R1932 WeakPolarHBondContact OD1-CG 3.37Å; W1861-R1932 PolarHBondContact O-NH2 3.32Å; P1863-R1932 HydrophobicContact CG-CG 4.49Å; G1930-R1932 PolarHBondContact O-N 2.84Å; R1932-E1934 VanDerWaalsContact C-N 3.32Å; R1932-E1934 PolarHBondContact O-N 3.45Å; R1932-E1934 VanDerWaalsContact O-N 3.14Å; R1932-L1935 PolarHBondContact O-N 3.08Å; R1932-L1935 VanDerWaalsContact O-N 3.11Å; R1932-L1936 HydrophobicContact CB-CD1 4.08Å; R1932-L1936 HydrophobicContact CB-CG 4.11Å; R1932-L1936 PolarHBondContact O-N 3.43Å; R1932-G2008 PolarHBondContact NH2-O 3.34Å |
| 1933 | K | 88.6 | Confident | 89.5 | Confident | 124 Ų | 124 | 58.7 Ų | 58.7 | 54% | 0.539 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -38.9 | -55.7 | -178 | 174.4 | -177.4 | 172.8 | -160.2 | 0 | 114 | S1928 G1930 L1935 L1936 Y1937 | S1928-K1933 WeakPolarHBondContact O-CB 3.42Å; S1928-K1933 VanDerWaalsContact O-CG 3.25Å; S1928-K1933 WeakPolarHBondContact O-CG 3.3Å; G1930-K1933 PolarHBondContact O-N 3.05Å; G1930-K1933 VanDerWaalsContact O-N 3.15Å; K1933-L1935 PolarHBondContact O-N 3.01Å; K1933-L1936 PolarHBondContact O-N 3.1Å; K1933-Y1937 PolarHBondContact O-N 3.27Å |
| 1934 | E | 87.7 | Confident | 89.6 | Confident | 115 Ų | 115 | 60.9 Ų | 60.9 | 54% | 0.537 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -59.7 | -48 | -174.6 | -148.8 | 65.7 | -157.5 | 0 | 0 | 111.8 | R1932 Y1937 Q1938 L1994 | R1932-E1934 VanDerWaalsContact C-N 3.32Å; R1932-E1934 PolarHBondContact O-N 3.45Å; R1932-E1934 VanDerWaalsContact O-N 3.14Å; E1934-Y1937 PolarHBondContact O-N 2.72Å; E1934-Q1938 WeakPolarHBondContact O-CG 3.33Å; E1934-Q1938 PolarHBondContact O-N 2.91Å; E1934-Q1938 VanDerWaalsContact O-N 3.09Å; E1934-L1994 HydrophobicContact CB-CD1 3.95Å; E1934-L1994 HydrophobicContact CG-CD1 3.99Å |
| 1935 | L | 90.3 | Very high | 89.6 | Confident | 12 Ų | 12 | 60 Ų | 60 | 6% | 0.063 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -64 | -45.3 | 177.8 | 172 | 61.3 | 0 | 0 | 0 | 111.7 | P1863 R1932 K1933 Y1937 Q1938 M1939 L1994 V1995 | P1863-L1935 HydrophobicContact CB-CD2 3.82Å; P1863-L1935 HydrophobicContact CG-CD2 3.52Å; R1932-L1935 PolarHBondContact O-N 3.08Å; R1932-L1935 VanDerWaalsContact O-N 3.11Å; K1933-L1935 PolarHBondContact O-N 3.01Å; L1935-Y1937 VanDerWaalsContact C-N 3.28Å; L1935-Y1937 PolarHBondContact O-N 2.7Å; L1935-Q1938 PolarHBondContact O-N 2.75Å; L1935-M1939 HydrophobicContact CD1-CG 3.82Å; L1935-M1939 HydrophobicContact CD1-SD 3.78Å; L1935-M1939 HydrophobicContact CD2-SD 4.39Å; L1935-M1939 HydrophobicContact CG-CG 4.29Å; L1935-M1939 HydrophobicContact CG-SD 3.82Å; L1935-M1939 WeakPolarHBondContact O-CB 3.31Å; L1935-M1939 VanDerWaalsContact O-CG 3.26Å; L1935-M1939 WeakPolarHBondContact O-CG 3.48Å; L1935-M1939 PolarHBondContact O-N 3.49Å; L1935-L1994 HydrophobicContact CB-CD1 4.47Å; L1935-L1994 HydrophobicContact CD1-CB 3.97Å; L1935-L1994 WeakPolarHBondContact CD1-O 3.05Å; L1935-V1995 HydrophobicContact CD1-CG2 4.25Å |
| 1936 | L | 91.9 | Very high | 89.7 | Confident | 3 Ų | 3 | 55.3 Ų | 55.3 | 2% | 0.016 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -63.5 | -35.8 | -180 | -68.6 | 173.2 | 0 | 0 | 0 | 111.8 | V1859 A1867 Y1924 L1927 R1932 K1933 K1940 | V1859-L1936 HydrophobicContact CG1-CD2 4.1Å; A1867-L1936 HydrophobicContact CB-CD2 3.71Å; Y1924-L1936 HydrophobicContact CE2-CB 4.38Å; L1927-L1936 HydrophobicContact CB-CD1 3.76Å; R1932-L1936 HydrophobicContact CB-CD1 4.08Å; R1932-L1936 HydrophobicContact CB-CG 4.11Å; R1932-L1936 PolarHBondContact O-N 3.43Å; K1933-L1936 PolarHBondContact O-N 3.1Å; L1936-K1940 WeakPolarHBondContact O-CB 3.48Å; L1936-K1940 PolarHBondContact O-N 2.83Å |
| 1937 | Y | 91.7 | Very high | 89.8 | Confident | 148 Ų | 148 | 48.6 Ų | 48.6 | 58% | 0.58 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -65.1 | -48.6 | 173.5 | -174.1 | -94.5 | 0 | 0 | 0 | 112 | K1933 E1934 L1935 M1939 K1940 Y1941 | K1933-Y1937 PolarHBondContact O-N 3.27Å; E1934-Y1937 PolarHBondContact O-N 2.72Å; L1935-Y1937 VanDerWaalsContact C-N 3.28Å; L1935-Y1937 PolarHBondContact O-N 2.7Å; Y1937-M1939 PolarHBondContact O-N 2.8Å; Y1937-K1940 PolarHBondContact O-N 2.98Å; Y1937-Y1941 PolarHBondContact O-N 3.35Å |
| 1938 | Q | 92.1 | Very high | 89.8 | Confident | 19 Ų | 19 | 49.8 Ų | 49.8 | 9% | 0.089 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62.5 | -41.4 | 176.7 | -64.5 | -173.1 | -1 | 0 | 0 | 112 | E1934 L1935 K1940 Y1941 L1942 C1990 L1991 L1992 L1994 V1995 | E1934-Q1938 WeakPolarHBondContact O-CG 3.33Å; E1934-Q1938 PolarHBondContact O-N 2.91Å; E1934-Q1938 VanDerWaalsContact O-N 3.09Å; L1935-Q1938 PolarHBondContact O-N 2.75Å; Q1938-K1940 PolarHBondContact O-N 2.85Å; Q1938-Y1941 PolarHBondContact O-N 2.8Å; Q1938-L1942 WeakPolarHBondContact O-CB 3.35Å; Q1938-L1942 PolarHBondContact O-N 3.47Å; Q1938-C1990 PolarHBondContact NE2-O 3.13Å; Q1938-L1991 VanDerWaalsContact CD-O 3.27Å; Q1938-L1991 VanDerWaalsContact CG-O 3.23Å; Q1938-L1991 WeakPolarHBondContact CG-O 3.36Å; Q1938-L1992 VanDerWaalsContact OE1-C 3.31Å; Q1938-L1994 VanDerWaalsContact OE1-N 3.1Å; Q1938-V1995 HydrophobicContact CB-CG2 3.39Å |
| 1939 | M | 93.3 | Very high | 90.1 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63.2 | -39 | 175.7 | -70.8 | 179.8 | 80.4 | 0 | 0 | 112.2 | A1867 F1868 L1871 L1935 Y1937 A1943 V1995 | A1867-M1939 HydrophobicContact CB-CE 3.85Å; A1867-M1939 HydrophobicContact CB-SD 4.08Å; F1868-M1939 HydrophobicContact CD1-CE 4.34Å; F1868-M1939 HydrophobicContact CD2-CE 3.51Å; F1868-M1939 HydrophobicContact CE1-CB 4.31Å; F1868-M1939 HydrophobicContact CE1-CE 4.17Å; F1868-M1939 HydrophobicContact CE2-CE 3.31Å; F1868-M1939 HydrophobicContact CG-CE 4.02Å; F1868-M1939 HydrophobicContact CZ-CB 4.39Å; F1868-M1939 HydrophobicContact CZ-CE 3.66Å; F1868-M1939 HydrophobicContact CZ-CG 4.35Å; L1871-M1939 HydrophobicContact CD1-CB 3.95Å; L1935-M1939 HydrophobicContact CD1-CG 3.82Å; L1935-M1939 HydrophobicContact CD1-SD 3.78Å; L1935-M1939 HydrophobicContact CD2-SD 4.39Å; L1935-M1939 HydrophobicContact CG-CG 4.29Å; L1935-M1939 HydrophobicContact CG-SD 3.82Å; L1935-M1939 WeakPolarHBondContact O-CB 3.31Å; L1935-M1939 VanDerWaalsContact O-CG 3.26Å; L1935-M1939 WeakPolarHBondContact O-CG 3.48Å; L1935-M1939 PolarHBondContact O-N 3.49Å; Y1937-M1939 PolarHBondContact O-N 2.8Å; M1939-A1943 PolarHBondContact O-N 3.45Å; M1939-A1943 VanDerWaalsContact O-N 3.08Å; M1939-V1995 HydrophobicContact CG-CG1 4.1Å; M1939-V1995 HydrophobicContact CG-CG2 4.05Å |
| 1940 | K | 92.4 | Very high | 90.2 | Very high | 58 Ų | 58 | 41.7 Ų | 41.7 | 25% | 0.252 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -65 | -47.4 | 174.3 | -177.5 | 173.8 | 173.9 | -172.8 | 0 | 111.7 | L1871 Y1924 L1936 Y1937 Q1938 L1942 A1943 E1944 | L1871-K1940 HydrophobicContact CD2-CB 3.77Å; L1871-K1940 HydrophobicContact CD2-CD 4.37Å; L1871-K1940 HydrophobicContact CD2-CG 3.96Å; Y1924-K1940 HydrophobicContact CE1-CD 4.35Å; L1936-K1940 WeakPolarHBondContact O-CB 3.48Å; L1936-K1940 PolarHBondContact O-N 2.83Å; Y1937-K1940 PolarHBondContact O-N 2.98Å; Q1938-K1940 PolarHBondContact O-N 2.85Å; K1940-L1942 VanDerWaalsContact C-N 3.3Å; K1940-L1942 PolarHBondContact O-N 2.8Å; K1940-A1943 PolarHBondContact O-N 2.84Å; K1940-A1943 VanDerWaalsContact O-N 3.14Å; K1940-E1944 WeakPolarHBondContact CE-OE1 3.46Å; K1940-E1944 IonicContact NZ-OE1 3.79Å; K1940-E1944 PolarHBondContact O-N 2.86Å |
| 1941 | Y | 91.9 | Very high | 90.4 | Very high | 64 Ų | 64 | 41.4 Ų | 41.4 | 25% | 0.251 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -58.3 | -42.9 | 179.1 | -175.8 | -95.5 | 0 | 0 | 0 | 111.8 | Y1937 Q1938 E1944 A1945 L1975 L1991 | Y1937-Y1941 PolarHBondContact O-N 3.35Å; Q1938-Y1941 PolarHBondContact O-N 2.8Å; Y1941-E1944 PolarHBondContact O-N 3.03Å; Y1941-A1945 PolarHBondContact O-N 3.32Å; Y1941-L1975 HydrophobicContact CE1-CD1 4.24Å; Y1941-L1975 HydrophobicContact CE1-CD2 4.19Å; Y1941-L1975 HydrophobicContact CE1-CG 4.48Å; Y1941-L1991 HydrophobicContact CE1-CD1 4.27Å |
| 1942 | L | 92.7 | Very high | 90.5 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -62.2 | -43.9 | 175 | -176 | 62.1 | 0 | 0 | 0 | 112.3 | Q1938 K1940 A1945 Y1946 L1975 L1992 V1995 P1998 V2018 F2021 | Q1938-L1942 WeakPolarHBondContact O-CB 3.35Å; Q1938-L1942 PolarHBondContact O-N 3.47Å; K1940-L1942 VanDerWaalsContact C-N 3.3Å; K1940-L1942 PolarHBondContact O-N 2.8Å; L1942-A1945 PolarHBondContact O-N 3.27Å; L1942-Y1946 HydrophobicContact CD1-CD2 4.25Å; L1942-Y1946 HydrophobicContact CD1-CE2 3.67Å; L1942-Y1946 HydrophobicContact CD2-CE2 4.06Å; L1942-Y1946 HydrophobicContact CG-CD2 4.04Å; L1942-Y1946 HydrophobicContact CG-CE2 3.55Å; L1942-Y1946 WeakPolarHBondContact O-CD2 3.49Å; L1942-Y1946 PolarHBondContact O-N 3.31Å; L1942-Y1946 VanDerWaalsContact O-N 3.1Å; L1942-L1975 HydrophobicContact CD1-CD1 4.39Å; L1942-L1992 HydrophobicContact CB-CD2 3.99Å; L1942-L1992 HydrophobicContact CD1-CD1 4.05Å; L1942-L1992 HydrophobicContact CD1-CD2 4.41Å; L1942-V1995 HydrophobicContact CD2-CG1 3.67Å; L1942-P1998 HydrophobicContact CD2-CG 3.7Å; L1942-V2018 HydrophobicContact CD2-CG2 4.4Å; L1942-F2021 HydrophobicContact CD1-CE2 4.21Å; L1942-F2021 HydrophobicContact CD1-CZ 4.1Å |
| 1943 | A | 92.5 | Very high | 90.4 | Very high | 1 Ų | 1 | 37.9 Ų | 37.9 | 1% | 0.008 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -62.9 | -42.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | M1939 K1940 A1945 Y1946 V1947 M2119 | M1939-A1943 PolarHBondContact O-N 3.45Å; M1939-A1943 VanDerWaalsContact O-N 3.08Å; K1940-A1943 PolarHBondContact O-N 2.84Å; K1940-A1943 VanDerWaalsContact O-N 3.14Å; A1943-A1945 VanDerWaalsContact C-N 3.34Å; A1943-A1945 PolarHBondContact O-N 2.99Å; A1943-Y1946 PolarHBondContact O-N 2.88Å; A1943-V1947 WeakPolarHBondContact O-CG2 3.35Å; A1943-V1947 PolarHBondContact O-N 3Å; A1943-V1947 VanDerWaalsContact O-N 3.12Å; A1943-M2119 HydrophobicContact CB-SD 3.84Å |
| 1944 | E | 92.1 | Very high | 90.2 | Very high | 48 Ų | 48 | 32.1 Ų | 32.1 | 22% | 0.224 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -61.4 | -40.1 | 174 | -73.7 | -172.3 | -160.9 | 0 | 0 | 112.7 | L1878 K1940 Y1941 Y1946 V1947 D1948 K1971 | L1878-E1944 HydrophobicContact CD1-CG 4.05Å; K1940-E1944 WeakPolarHBondContact CE-OE1 3.46Å; K1940-E1944 IonicContact NZ-OE1 3.79Å; K1940-E1944 PolarHBondContact O-N 2.86Å; Y1941-E1944 PolarHBondContact O-N 3.03Å; E1944-Y1946 VanDerWaalsContact C-N 3.31Å; E1944-Y1946 PolarHBondContact O-N 3.36Å; E1944-V1947 PolarHBondContact O-N 3.41Å; E1944-D1948 WeakPolarHBondContact O-CB 3.25Å; E1944-D1948 PolarHBondContact O-N 3.21Å; E1944-K1971 IonicContact OE2-NZ 2.74Å; E1944-K1971 PolarHBondContact OE2-NZ 2.96Å |
| 1945 | A | 90.9 | Very high | 89.9 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -65.7 | -33.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y1941 L1942 A1943 W1949 K1971 L1975 | Y1941-A1945 PolarHBondContact O-N 3.32Å; L1942-A1945 PolarHBondContact O-N 3.27Å; A1943-A1945 VanDerWaalsContact C-N 3.34Å; A1943-A1945 PolarHBondContact O-N 2.99Å; A1945-W1949 WeakPolarHBondContact O-CB 3.46Å; A1945-W1949 PolarHBondContact O-N 3.47Å; A1945-K1971 HydrophobicContact CB-CB 3.91Å; A1945-L1975 HydrophobicContact CB-CD1 4.33Å |
| 1946 | Y | 92.9 | Very high | 89.5 | Confident | 1 Ų | 1 | 36.9 Ų | 36.9 | 0% | 0.004 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -70.4 | -38.5 | 172 | -73.6 | -60.1 | 0 | 0 | 0 | 113.2 | L1942 A1943 E1944 W1949 A1950 L1972 P1998 F2021 I2037 Q2049 V2051 M2119 V2125 | L1942-Y1946 HydrophobicContact CD1-CD2 4.25Å; L1942-Y1946 HydrophobicContact CD1-CE2 3.67Å; L1942-Y1946 HydrophobicContact CD2-CE2 4.06Å; L1942-Y1946 HydrophobicContact CG-CD2 4.04Å; L1942-Y1946 HydrophobicContact CG-CE2 3.55Å; L1942-Y1946 WeakPolarHBondContact O-CD2 3.49Å; L1942-Y1946 PolarHBondContact O-N 3.31Å; L1942-Y1946 VanDerWaalsContact O-N 3.1Å; A1943-Y1946 PolarHBondContact O-N 2.88Å; E1944-Y1946 VanDerWaalsContact C-N 3.31Å; E1944-Y1946 PolarHBondContact O-N 3.36Å; Y1946-W1949 PolarHBondContact O-N 2.95Å; Y1946-A1950 WeakPolarHBondContact O-CB 3.5Å; Y1946-A1950 PolarHBondContact O-N 2.69Å; Y1946-L1972 HydrophobicContact CD1-CD1 3.87Å; Y1946-L1972 HydrophobicContact CE1-CD1 4.11Å; Y1946-P1998 HydrophobicContact CE2-CG 4.31Å; Y1946-F2021 HydrophobicContact CE1-CE1 4.21Å; Y1946-F2021 HydrophobicContact CE1-CZ 4.21Å; Y1946-F2021 AromaticContact CZ-CZ 3.98Å; Y1946-F2021 WeakPolarHBondContact OH-CZ 3.46Å; Y1946-I2037 HydrophobicContact CE1-CD1 4.08Å; Y1946-Q2049 PolarHBondContact OH-OE1 3.17Å; Y1946-Q2049 VanDerWaalsContact OH-OE1 3.09Å; Y1946-V2051 HydrophobicContact CD1-CG2 4.31Å; Y1946-M2119 HydrophobicContact CD2-CE 3.62Å; Y1946-M2119 HydrophobicContact CD2-SD 4.19Å; Y1946-M2119 HydrophobicContact CE2-CE 3.92Å; Y1946-M2119 HydrophobicContact CG-CE 4.41Å; Y1946-V2125 HydrophobicContact CD1-CG2 3.46Å; Y1946-V2125 VanDerWaalsContact CD1-CG2 3.46Å; Y1946-V2125 HydrophobicContact CD2-CG2 3.84Å; Y1946-V2125 HydrophobicContact CE1-CG1 4.39Å; Y1946-V2125 HydrophobicContact CE1-CG2 3.79Å; Y1946-V2125 HydrophobicContact CE2-CG2 4.12Å; Y1946-V2125 HydrophobicContact CG-CG2 3.49Å; Y1946-V2125 VanDerWaalsContact CG-CG2 3.49Å |
| 1947 | V | 91.1 | Very high | 89 | Confident | 2 Ų | 2 | 39.6 Ų | 39.6 | 1% | 0.012 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -68.2 | -40.2 | 177.6 | 176.6 | 0 | 0 | 0 | 0 | 111.3 | L1878 A1943 E1944 A1950 N1951 M2119 A2120 | L1878-V1947 HydrophobicContact CB-CG1 3.95Å; A1943-V1947 WeakPolarHBondContact O-CG2 3.35Å; A1943-V1947 PolarHBondContact O-N 3Å; A1943-V1947 VanDerWaalsContact O-N 3.12Å; E1944-V1947 PolarHBondContact O-N 3.41Å; V1947-A1950 PolarHBondContact O-N 2.71Å; V1947-N1951 PolarHBondContact O-N 3.13Å; V1947-N1951 VanDerWaalsContact O-N 3.12Å; V1947-N1951 PolarHBondContact O-ND2 3.39Å; V1947-M2119 HydrophobicContact CG2-CB 3.72Å; V1947-A2120 HydrophobicContact CG1-CB 4.34Å; V1947-A2120 HydrophobicContact CG2-CB 3.76Å |
| 1948 | D | 90.3 | Very high | 88.2 | Confident | 37 Ų | 37 | 37.1 Ų | 37.1 | 20% | 0.198 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -57.5 | -50.3 | 171 | -179.8 | 60.8 | 0 | 0 | 0 | 111.3 | E1944 N1951 T1952 C1970 K1971 | E1944-D1948 WeakPolarHBondContact O-CB 3.25Å; E1944-D1948 PolarHBondContact O-N 3.21Å; D1948-N1951 PolarHBondContact O-N 3.49Å; D1948-T1952 PolarHBondContact O-N 2.88Å; D1948-T1952 PolarHBondContact O-OG1 2.94Å; D1948-C1970 WeakPolarHBondContact OD2-CA 3.47Å; D1948-C1970 PolarHBondContact OD2-SG 3.12Å; D1948-K1971 HydrophobicContact CB-CD 4.24Å; D1948-K1971 HydrophobicContact CB-CG 4.45Å; D1948-K1971 PolarHBondContact OD2-N 3.21Å |
| 1949 | W | 90.5 | Very high | 87.3 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -66.9 | -37.8 | 178.1 | -177.3 | -129.7 | 0 | 0 | 0 | 113.6 | A1945 Y1946 N1951 T1952 V1954 L1966 P1967 C1970 L1972 F2025 K2035 I2037 | A1945-W1949 WeakPolarHBondContact O-CB 3.46Å; A1945-W1949 PolarHBondContact O-N 3.47Å; Y1946-W1949 PolarHBondContact O-N 2.95Å; W1949-N1951 VanDerWaalsContact C-N 3.34Å; W1949-N1951 PolarHBondContact O-N 2.98Å; W1949-T1952 HydrophobicContact CE3-CG2 4.12Å; W1949-T1952 HydrophobicContact CZ3-CG2 3.94Å; W1949-T1952 PolarHBondContact O-N 3.46Å; W1949-V1954 HydrophobicContact CH2-CG1 4.38Å; W1949-L1966 HydrophobicContact CD2-CD2 4.49Å; W1949-L1966 HydrophobicContact CH2-CD2 3.8Å; W1949-L1966 HydrophobicContact CZ2-CD2 3.64Å; W1949-L1966 HydrophobicContact CZ3-CD2 4.27Å; W1949-P1967 HydrophobicContact CH2-CG 4.49Å; W1949-P1967 HydrophobicContact CZ3-CG 4.07Å; W1949-C1970 HydrophobicContact CE3-CB 4.18Å; W1949-L1972 HydrophobicContact CB-CB 4.47Å; W1949-L1972 HydrophobicContact CB-CD1 4.02Å; W1949-L1972 HydrophobicContact CG-CD1 4.21Å; W1949-F2025 AromaticContact CH2-CD1 3.81Å; W1949-F2025 HydrophobicContact CH2-CD1 3.81Å; W1949-F2025 HydrophobicContact CH2-CD2 4.19Å; W1949-F2025 AromaticContact CH2-CE1 3.75Å; W1949-F2025 HydrophobicContact CH2-CE1 3.75Å; W1949-F2025 HydrophobicContact CH2-CE2 4.13Å; W1949-F2025 HydrophobicContact CH2-CG 4.04Å; W1949-F2025 AromaticContact CH2-CZ 3.92Å; W1949-F2025 HydrophobicContact CH2-CZ 3.92Å; W1949-F2025 HydrophobicContact CZ2-CB 4.12Å; W1949-F2025 AromaticContact CZ2-CD1 3.9Å; W1949-F2025 HydrophobicContact CZ2-CD1 3.9Å; W1949-F2025 AromaticContact CZ2-CD2 3.85Å; W1949-F2025 HydrophobicContact CZ2-CD2 3.85Å; W1949-F2025 HydrophobicContact CZ2-CE1 4.27Å; W1949-F2025 HydrophobicContact CZ2-CE2 4.22Å; W1949-F2025 AromaticContact CZ2-CG 3.69Å; W1949-F2025 HydrophobicContact CZ2-CG 3.69Å; W1949-F2025 HydrophobicContact CZ2-CZ 4.42Å; W1949-K2035 HydrophobicContact CZ2-CB 4.06Å; W1949-K2035 HydrophobicContact CZ2-CD 4.22Å; W1949-K2035 HydrophobicContact CZ2-CG 4Å; W1949-K2035 PolarHBondContact O-NZ 3.37Å; W1949-I2037 HydrophobicContact CZ2-CG2 4.46Å |
| 1950 | A | 88.8 | Confident | 86.2 | Confident | 7 Ų | 7 | 46.3 Ų | 46.3 | 6% | 0.058 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -59.3 | -44.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y1946 V1947 K2035 V2051 S2123 | Y1946-A1950 WeakPolarHBondContact O-CB 3.5Å; Y1946-A1950 PolarHBondContact O-N 2.69Å; V1947-A1950 PolarHBondContact O-N 2.71Å; A1950-K2035 PolarHBondContact O-NZ 3.36Å; A1950-V2051 HydrophobicContact CB-CG1 3.74Å; A1950-S2123 WeakPolarHBondContact CB-OG 3.42Å |
| 1951 | N | 87 | Confident | 84.9 | Confident | 30 Ų | 30 | 47 Ų | 47 | 16% | 0.16 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -88.1 | -14.5 | -177.8 | -70 | -50.6 | 0 | 0 | 0 | 114.7 | D1879 V1947 D1948 W1949 D1953 S2123 | D1879-N1951 PolarHBondContact OD1-ND2 3.4Å; V1947-N1951 PolarHBondContact O-N 3.13Å; V1947-N1951 VanDerWaalsContact O-N 3.12Å; V1947-N1951 PolarHBondContact O-ND2 3.39Å; D1948-N1951 PolarHBondContact O-N 3.49Å; W1949-N1951 VanDerWaalsContact C-N 3.34Å; W1949-N1951 PolarHBondContact O-N 2.98Å; N1951-D1953 PolarHBondContact O-N 3.33Å; N1951-S2123 PolarHBondContact ND2-OG 3.31Å |
| 1952 | T | 86.7 | Confident | 84 | Confident | 28 Ų | 28 | 45.8 Ų | 45.8 | 17% | 0.172 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -53.3 | 130.2 | 175 | -65.8 | 0 | 0 | 0 | 0 | 112.1 | D1948 W1949 K2035 | D1948-T1952 PolarHBondContact O-N 2.88Å; D1948-T1952 PolarHBondContact O-OG1 2.94Å; W1949-T1952 HydrophobicContact CE3-CG2 4.12Å; W1949-T1952 HydrophobicContact CZ3-CG2 3.94Å; W1949-T1952 PolarHBondContact O-N 3.46Å; T1952-K2035 PolarHBondContact O-NZ 2.91Å |
| 1953 | D | 83.1 | Confident | 83.3 | Confident | 98 Ų | 98 | 51 Ų | 51 | 52% | 0.524 | 28% | 0.283 | S | S | . | . | trans | -70.8 | 134 | 178 | 176.7 | 38.6 | 0 | 0 | 0 | 113.6 | N1951 D1955 | N1951-D1953 PolarHBondContact O-N 3.33Å; D1953-D1955 PolarHBondContact OD1-N 2.72Å | ||
| 1954 | V | 84.2 | Confident | 83 | Confident | 4 Ų | 4 | 51.8 Ų | 51.8 | 2% | 0.024 | 29% | 0.287 | C | S | . | . | trans | -137.7 | 9.3 | -178.2 | -66.5 | 0 | 0 | 0 | 0 | 113.1 | W1949 K1956 Y1957 F2025 L2027 L2033 K2035 | W1949-V1954 HydrophobicContact CH2-CG1 4.38Å; V1954-K1956 PolarHBondContact O-N 2.82Å; V1954-K1956 VanDerWaalsContact O-N 3.13Å; V1954-Y1957 HydrophobicContact CB-CD2 4.25Å; V1954-Y1957 HydrophobicContact CG1-CD2 4.42Å; V1954-Y1957 PolarHBondContact O-N 3.31Å; V1954-F2025 HydrophobicContact CG1-CE2 4.45Å; V1954-F2025 HydrophobicContact CG1-CZ 4.34Å; V1954-L2027 HydrophobicContact CG2-CD2 4.1Å; V1954-L2033 HydrophobicContact CG2-CB 4Å; V1954-L2033 HydrophobicContact CG2-CD1 4.02Å; V1954-K2035 VanDerWaalsContact CG2-CE 3.47Å | ||
| 1955 | D | 81.8 | Confident | 82.7 | Confident | 91 Ų | 91 | 53.3 Ų | 53.3 | 49% | 0.487 | 30% | 0.302 | S | S | . | . | G | 310 helix | trans | -55.6 | -34.5 | -178.4 | -98.6 | -35.8 | 0 | 0 | 0 | 112.4 | D1953 Y1957 K1958 L2033 | D1953-D1955 PolarHBondContact OD1-N 2.72Å; D1955-Y1957 PolarHBondContact O-N 2.89Å; D1955-K1958 WeakPolarHBondContact O-CB 3.45Å; D1955-K1958 PolarHBondContact O-N 3.32Å; D1955-K1958 IonicContact OD1-NZ 3.12Å; D1955-L2033 VanDerWaalsContact OD1-CD1 3.25Å; D1955-L2033 WeakPolarHBondContact OD1-CD1 3.18Å |
| 1956 | K | 82 | Confident | 82.3 | Confident | 135 Ų | 135 | 53.7 Ų | 53.7 | 59% | 0.587 | 30% | 0.304 | S | S | * | . | G | 310 helix | trans | -55.1 | -13.8 | 171.7 | 64.5 | -169.6 | 169.9 | -164.4 | 0 | 115.7 | V1954 | V1954-K1956 PolarHBondContact O-N 2.82Å; V1954-K1956 VanDerWaalsContact O-N 3.13Å |
| 1957 | Y | 80.6 | Confident | 81.8 | Confident | 61 Ų | 61 | 54.6 Ų | 54.6 | 24% | 0.239 | 31% | 0.31 | C | S | . | . | G | 310 helix | trans | -112.4 | 4.7 | 177.9 | -55.3 | -53 | 0 | 0 | 0 | 113.9 | V1954 D1955 T1959 N1960 I1964 F2025 | V1954-Y1957 HydrophobicContact CB-CD2 4.25Å; V1954-Y1957 HydrophobicContact CG1-CD2 4.42Å; V1954-Y1957 PolarHBondContact O-N 3.31Å; D1955-Y1957 PolarHBondContact O-N 2.89Å; Y1957-T1959 PolarHBondContact O-N 3.23Å; Y1957-N1960 PolarHBondContact O-N 2.79Å; Y1957-I1964 HydrophobicContact CD1-CG2 4.35Å; Y1957-I1964 HydrophobicContact CD2-CG2 4.29Å; Y1957-I1964 HydrophobicContact CE1-CG2 4.31Å; Y1957-I1964 HydrophobicContact CE2-CG2 4.22Å; Y1957-I1964 HydrophobicContact CG-CD1 4.29Å; Y1957-I1964 HydrophobicContact CG-CG2 4.34Å; Y1957-F2025 HydrophobicContact CD2-CZ 4.04Å; Y1957-F2025 HydrophobicContact CE2-CZ 4.28Å |
| 1958 | K | 74.5 | Confident | 81.2 | Confident | 95 Ų | 95 | 60.5 Ų | 60.5 | 41% | 0.413 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | -17.8 | -172.7 | -172.8 | 160.9 | -167.9 | 155 | 0 | 115.5 | D1955 G2030 L2033 | D1955-K1958 WeakPolarHBondContact O-CB 3.45Å; D1955-K1958 PolarHBondContact O-N 3.32Å; D1955-K1958 IonicContact OD1-NZ 3.12Å; K1958-G2030 PolarHBondContact NZ-O 3.23Å; K1958-L2033 HydrophobicContact CB-CD1 4.29Å; K1958-L2033 HydrophobicContact CB-CD2 4.47Å; K1958-L2033 HydrophobicContact CD-CD1 4.15Å; K1958-L2033 HydrophobicContact CD-CD2 3.98Å; K1958-L2033 HydrophobicContact CD-CG 4.49Å; K1958-L2033 HydrophobicContact CG-CD1 4.39Å; K1958-L2033 HydrophobicContact CG-CD2 3.89Å |
| 1959 | T | 73.2 | Confident | 80.5 | Confident | 130 Ų | 130 | 63.7 Ų | 63.7 | 80% | 0.798 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.4 | -8.9 | 176.6 | 50.2 | 0 | 0 | 0 | 0 | 114.9 | Y1957 | Y1957-T1959 PolarHBondContact O-N 3.23Š|
| 1960 | N | 71.2 | Confident | 80.1 | Confident | 82 Ų | 82 | 64 Ų | 64 | 44% | 0.439 | 37% | 0.369 | S | S | . | . | trans | -94.9 | 106 | -173.7 | -72.5 | -16.2 | 0 | 0 | 0 | 111.8 | Y1957 I1964 | Y1957-N1960 PolarHBondContact O-N 2.79Å; N1960-I1964 HydrophobicContact CB-CD1 4.19Å; N1960-I1964 HydrophobicContact CB-CG1 4.47Å | ||
| 1961 | A | 64.4 | Low | 79.8 | Confident | 74 Ų | 74 | 67.5 Ų | 67.5 | 61% | 0.612 | 38% | 0.383 | S | S | * | . | trans | -86.8 | 3.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | R2026 | A1961-R2026 PolarHBondContact O-NE 3.33Å; A1961-R2026 PolarHBondContact O-NH2 3.43Å | ||
| 1962 | G | 72.6 | Confident | 79.7 | Confident | 38 Ų | 38 | 66.1 Ų | 66.1 | 39% | 0.392 | 38% | 0.375 | S | S | . | . | S | Bend | trans | -96.7 | -175.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 1963 | N | 79.7 | Confident | 79.4 | Confident | 109 Ų | 109 | 68.1 Ų | 68.1 | 58% | 0.583 | 38% | 0.38 | S | S | * | . | trans | -73.2 | 141.3 | 174.1 | -63 | -1.7 | 0 | 0 | 0 | 110.3 | D2024 F2025 | N1963-D2024 HydrophobicContact CB-CB 4.19Å; N1963-F2025 WeakPolarHBondContact CA-O 3.45Å | ||
| 1964 | I | 86.2 | Confident | 79.1 | Confident | 18 Ų | 18 | 65.9 Ų | 65.9 | 9% | 0.092 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 132 | -174.4 | -54.8 | 155.9 | 0 | 0 | 0 | 107.8 | Y1957 N1960 D2024 F2025 L2027 | Y1957-I1964 HydrophobicContact CD1-CG2 4.35Å; Y1957-I1964 HydrophobicContact CD2-CG2 4.29Å; Y1957-I1964 HydrophobicContact CE1-CG2 4.31Å; Y1957-I1964 HydrophobicContact CE2-CG2 4.22Å; Y1957-I1964 HydrophobicContact CG-CD1 4.29Å; Y1957-I1964 HydrophobicContact CG-CG2 4.34Å; N1960-I1964 HydrophobicContact CB-CD1 4.19Å; N1960-I1964 HydrophobicContact CB-CG1 4.47Å; I1964-D2024 CarbonylContact O-C 3.08Å; I1964-D2024 WeakPolarHBondContact O-CA 3.38Å; I1964-F2025 HydrophobicContact CB-CD1 4.19Å; I1964-F2025 HydrophobicContact CB-CE1 3.76Å; I1964-F2025 HydrophobicContact CB-CE2 4.33Å; I1964-F2025 HydrophobicContact CB-CZ 3.84Å; I1964-F2025 HydrophobicContact CD1-CE2 4.05Å; I1964-F2025 HydrophobicContact CD1-CZ 4.12Å; I1964-F2025 HydrophobicContact CG2-CD1 4.43Å; I1964-F2025 HydrophobicContact CG2-CE1 3.58Å; I1964-F2025 HydrophobicContact CG2-CZ 3.67Å; I1964-F2025 PolarHBondContact N-O 2.95Å; I1964-F2025 WeakPolarHBondContact O-CD1 3.39Å; I1964-F2025 WeakPolarHBondContact O-CE1 3.3Å; I1964-F2025 PolarHBondContact O-N 3.43Å; I1964-L2027 HydrophobicContact CD1-CD1 4.48Å; I1964-L2027 HydrophobicContact CD1-CG 4.42Å |
| 1965 | S | 84.6 | Confident | 79 | Confident | 79 Ų | 79 | 66.4 Ų | 66.4 | 55% | 0.552 | 38% | 0.383 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 142.1 | -178.8 | -49.4 | 0 | 0 | 0 | 0 | 113.3 | P2023 D2024 | S1965-P2023 WeakPolarHBondContact CA-O 3.31Å; S1965-D2024 WeakPolarHBondContact CA-OD1 3.31Å; S1965-D2024 VanDerWaalsContact CB-OD1 3.26Å; S1965-D2024 WeakPolarHBondContact CB-OD1 3.26Å; S1965-D2024 PolarHBondContact N-OD1 3.48Å; S1965-D2024 PolarHBondContact OG-OD1 2.8Å |
| 1966 | L | 83.8 | Confident | 78.7 | Confident | 8 Ų | 8 | 63.1 Ų | 63.1 | 4% | 0.042 | 37% | 0.366 | C | S | . | . | P | Polyproline II helix | trans | -59.4 | 134.3 | -178.5 | -76 | 171.3 | 0 | 0 | 0 | 111.9 | W1949 N1968 L1972 Y1973 V1976 S2022 P2023 F2025 | W1949-L1966 HydrophobicContact CD2-CD2 4.49Å; W1949-L1966 HydrophobicContact CH2-CD2 3.8Å; W1949-L1966 HydrophobicContact CZ2-CD2 3.64Å; W1949-L1966 HydrophobicContact CZ3-CD2 4.27Å; L1966-N1968 PolarHBondContact O-N 3.41Å; L1966-L1972 HydrophobicContact CD1-CD2 4.22Å; L1966-Y1973 HydrophobicContact CB-CD2 4.04Å; L1966-Y1973 WeakPolarHBondContact O-CD2 3.21Å; L1966-Y1973 WeakPolarHBondContact O-CE2 3.26Å; L1966-V1976 HydrophobicContact CD1-CG2 4.01Å; L1966-S2022 VanDerWaalsContact CD1-O 3.23Å; L1966-S2022 WeakPolarHBondContact CD1-O 3.47Å; L1966-P2023 WeakPolarHBondContact CG-O 3.45Å; L1966-P2023 PolarHBondContact N-O 3.05Å; L1966-F2025 HydrophobicContact CD2-CB 4.26Å; L1966-F2025 HydrophobicContact CD2-CD1 3.92Å; L1966-F2025 HydrophobicContact CD2-CG 4.41Å; L1966-F2025 HydrophobicContact CG-CD1 4.4Å |
| 1967 | P | 81.9 | Confident | 77.8 | Confident | 20 Ų | 20 | 57 Ų | 57 | 13% | 0.13 | 34% | 0.341 | C | S | . | . | P | Polyproline II helix | trans | -65.7 | 129.5 | 175.5 | -20.6 | 33.1 | 0 | 0 | 0 | 112.6 | W1949 S1969 C1970 | W1949-P1967 HydrophobicContact CH2-CG 4.49Å; W1949-P1967 HydrophobicContact CZ3-CG 4.07Å; P1967-S1969 PolarHBondContact O-N 3.19Å; P1967-C1970 PolarHBondContact O-N 3.33Å; P1967-C1970 VanDerWaalsContact O-N 3.17Å |
| 1968 | N | 77.6 | Confident | 76.5 | Confident | 126 Ų | 126 | 58.5 Ų | 58.5 | 67% | 0.674 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | -14.9 | 176.7 | -58.8 | 7.8 | 0 | 0 | 0 | 114.7 | L1966 Y1973 | L1966-N1968 PolarHBondContact O-N 3.41Å; N1968-Y1973 WeakPolarHBondContact OD1-CE2 3.39Å; N1968-Y1973 VanDerWaalsContact OD1-CZ 3.22Å; N1968-Y1973 PolarHBondContact OD1-OH 2.75Å |
| 1969 | S | 77.3 | Confident | 75.3 | Confident | 104 Ų | 104 | 58.7 Ų | 58.7 | 73% | 0.727 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.2 | -16.7 | -178.1 | 56.1 | 0 | 0 | 0 | 0 | 114.6 | P1967 | P1967-S1969 PolarHBondContact O-N 3.19Š|
| 1970 | C | 81.2 | Confident | 74.1 | Confident | 7 Ų | 7 | 58.6 Ų | 58.6 | 5% | 0.047 | 37% | 0.365 | C | S | . | . | S | Bend | trans | -86.6 | 140.4 | -178.7 | 177.1 | 0 | 0 | 0 | 0 | 111.1 | D1948 W1949 P1967 L1972 Y1973 | D1948-C1970 WeakPolarHBondContact OD2-CA 3.47Å; D1948-C1970 PolarHBondContact OD2-SG 3.12Å; W1949-C1970 HydrophobicContact CE3-CB 4.18Å; P1967-C1970 PolarHBondContact O-N 3.33Å; P1967-C1970 VanDerWaalsContact O-N 3.17Å; C1970-L1972 PolarHBondContact O-N 2.91Å; C1970-L1972 VanDerWaalsContact O-N 3.09Å; C1970-L1972 PolarHBondContact SG-N 3.02Å; C1970-Y1973 VanDerWaalsContact O-CB 3.3Å; C1970-Y1973 WeakPolarHBondContact O-CB 3.39Å; C1970-Y1973 PolarHBondContact O-N 3.15Å |
| 1971 | K | 82 | Confident | 72.5 | Confident | 81 Ų | 81 | 60 Ų | 60 | 35% | 0.352 | 37% | 0.367 | S | S | . | . | G | 310 helix | trans | -49.6 | -36.4 | 174.8 | -72.3 | -179.3 | 177.6 | 175.2 | 0 | 112.3 | E1944 A1945 D1948 Y1973 G1974 | E1944-K1971 IonicContact OE2-NZ 2.74Å; E1944-K1971 PolarHBondContact OE2-NZ 2.96Å; A1945-K1971 HydrophobicContact CB-CB 3.91Å; D1948-K1971 HydrophobicContact CB-CD 4.24Å; D1948-K1971 HydrophobicContact CB-CG 4.45Å; D1948-K1971 PolarHBondContact OD2-N 3.21Å; K1971-Y1973 VanDerWaalsContact C-N 3.25Å; K1971-Y1973 PolarHBondContact O-N 3.06Å; K1971-G1974 PolarHBondContact O-N 3.26Å; K1971-G1974 VanDerWaalsContact O-N 3.15Å |
| 1972 | L | 84.2 | Confident | 71.1 | Confident | 0 Ų | 0 | 68.5 Ų | 68.5 | 0% | 0 | 38% | 0.384 | C | S | . | . | G | 310 helix | trans | -66.7 | -22.9 | -176.6 | -153.1 | 145.6 | 0 | 0 | 0 | 113 | Y1946 W1949 L1966 C1970 G1974 L1975 F2021 I2037 | Y1946-L1972 HydrophobicContact CD1-CD1 3.87Å; Y1946-L1972 HydrophobicContact CE1-CD1 4.11Å; W1949-L1972 HydrophobicContact CB-CB 4.47Å; W1949-L1972 HydrophobicContact CB-CD1 4.02Å; W1949-L1972 HydrophobicContact CG-CD1 4.21Å; L1966-L1972 HydrophobicContact CD1-CD2 4.22Å; C1970-L1972 PolarHBondContact O-N 2.91Å; C1970-L1972 VanDerWaalsContact O-N 3.09Å; C1970-L1972 PolarHBondContact SG-N 3.02Å; L1972-G1974 PolarHBondContact O-N 2.99Å; L1972-L1975 PolarHBondContact O-N 3.12Å; L1972-L1975 VanDerWaalsContact O-N 3.11Å; L1972-F2021 HydrophobicContact CD2-CB 4.13Å; L1972-F2021 HydrophobicContact CD2-CD1 3.96Å; L1972-F2021 HydrophobicContact CD2-CD2 4.02Å; L1972-F2021 HydrophobicContact CD2-CE1 4.38Å; L1972-F2021 HydrophobicContact CD2-CE2 4.44Å; L1972-F2021 HydrophobicContact CD2-CG 3.76Å; L1972-F2021 HydrophobicContact CG-CD2 4.46Å; L1972-F2021 HydrophobicContact CG-CE2 4.49Å; L1972-I2037 HydrophobicContact CD1-CD1 4.28Å; L1972-I2037 HydrophobicContact CD2-CD1 4.38Å |
| 1973 | Y | 82.3 | Confident | 69.2 | Low | 70 Ų | 70 | 71.7 Ų | 71.7 | 28% | 0.275 | 40% | 0.4 | S | S | . | . | G | 310 helix | trans | -62.6 | -30 | 173.2 | -171.4 | -87.5 | 0 | 0 | 0 | 112.8 | L1966 N1968 C1970 K1971 L1975 V1976 K1981 | L1966-Y1973 HydrophobicContact CB-CD2 4.04Å; L1966-Y1973 WeakPolarHBondContact O-CD2 3.21Å; L1966-Y1973 WeakPolarHBondContact O-CE2 3.26Å; N1968-Y1973 WeakPolarHBondContact OD1-CE2 3.39Å; N1968-Y1973 VanDerWaalsContact OD1-CZ 3.22Å; N1968-Y1973 PolarHBondContact OD1-OH 2.75Å; C1970-Y1973 VanDerWaalsContact O-CB 3.3Å; C1970-Y1973 WeakPolarHBondContact O-CB 3.39Å; C1970-Y1973 PolarHBondContact O-N 3.15Å; K1971-Y1973 VanDerWaalsContact C-N 3.25Å; K1971-Y1973 PolarHBondContact O-N 3.06Å; Y1973-L1975 PolarHBondContact O-N 3.34Å; Y1973-V1976 PolarHBondContact O-N 2.98Å; Y1973-K1981 PolarHBondContact OH-NZ 3.01Å |
| 1974 | G | 76.2 | Confident | 67.1 | Low | 52 Ų | 52 | 72.1 Ų | 72.1 | 54% | 0.536 | 41% | 0.411 | S | S | . | . | G | 310 helix | trans | -69.6 | -4.7 | 176 | 0 | 0 | 0 | 0 | 0 | 114.5 | K1971 L1972 | K1971-G1974 PolarHBondContact O-N 3.26Å; K1971-G1974 VanDerWaalsContact O-N 3.15Å; L1972-G1974 PolarHBondContact O-N 2.99Å |
| 1975 | L | 81.2 | Confident | 64.8 | Low | 14 Ų | 14 | 75.8 Ų | 75.8 | 7% | 0.073 | 44% | 0.439 | C | S | . | . | G | 310 helix | trans | -114.5 | 10.5 | -176.2 | -59.3 | 170 | 0 | 0 | 0 | 112.9 | Y1941 L1942 A1945 L1972 Y1973 L1991 L1992 G2020 F2021 | Y1941-L1975 HydrophobicContact CE1-CD1 4.24Å; Y1941-L1975 HydrophobicContact CE1-CD2 4.19Å; Y1941-L1975 HydrophobicContact CE1-CG 4.48Å; L1942-L1975 HydrophobicContact CD1-CD1 4.39Å; A1945-L1975 HydrophobicContact CB-CD1 4.33Å; L1972-L1975 PolarHBondContact O-N 3.12Å; L1972-L1975 VanDerWaalsContact O-N 3.11Å; Y1973-L1975 PolarHBondContact O-N 3.34Å; L1975-L1991 HydrophobicContact CD2-CB 4.34Å; L1975-L1991 HydrophobicContact CD2-CD1 4.31Å; L1975-L1992 HydrophobicContact CD1-CD1 4.06Å; L1975-L1992 HydrophobicContact CD2-CD1 3.82Å; L1975-L1992 HydrophobicContact CD2-CG 4.11Å; L1975-L1992 HydrophobicContact CG-CD1 4.4Å; L1975-G2020 CarbonylContact O-C 3.48Å; L1975-G2020 WeakPolarHBondContact O-CA 3.38Å; L1975-F2021 HydrophobicContact CB-CD2 3.7Å; L1975-F2021 HydrophobicContact CB-CE2 4.05Å; L1975-F2021 HydrophobicContact CD1-CE2 4.21Å; L1975-F2021 PolarHBondContact O-N 3.46Å |
| 1976 | V | 76.9 | Confident | 62.5 | Low | 22 Ų | 22 | 83.2 Ų | 83.2 | 13% | 0.133 | 46% | 0.455 | C | S | . | . | B | Isolated β-bridge | trans | -71.4 | 131.8 | 175.8 | 173.2 | 0 | 0 | 0 | 0 | 110.3 | L1966 Y1973 F2021 P2023 | L1966-V1976 HydrophobicContact CD1-CG2 4.01Å; Y1973-V1976 PolarHBondContact O-N 2.98Å; V1976-F2021 WeakPolarHBondContact CA-O 3.34Å; V1976-P2023 HydrophobicContact CG1-CB 4.21Å |
| 1977 | S | 62.2 | Low | 60.5 | Low | 6 Ų | 6 | 88.6 Ų | 88.6 | 4% | 0.042 | 49% | 0.488 | C | S | . | . | trans | -60 | 132.2 | -169.8 | -63 | 0 | 0 | 0 | 0 | 113.7 | S1979 L1980 G2019 G2020 F2021 | S1977-S1979 PolarHBondContact O-N 2.88Å; S1977-S1979 VanDerWaalsContact O-N 3.16Å; S1977-L1980 PolarHBondContact O-N 3.17Å; S1977-G2019 PolarHBondContact OG-O 2.67Å; S1977-G2020 VanDerWaalsContact OG-CA 3.32Å; S1977-G2020 WeakPolarHBondContact OG-CA 3.43Å; S1977-F2021 PolarHBondContact N-O 2.79Å | ||
| 1978 | P | 53.1 | Low | 58.7 | Low | 93 Ų | 93 | 93.2 Ų | 93.2 | 60% | 0.604 | 51% | 0.509 | S | S | * | . | G | 310 helix | trans | -68.6 | -16.3 | -175.1 | 26.7 | -34.9 | 0 | 0 | 0 | 114 | L1980 K1981 | P1978-L1980 PolarHBondContact O-N 3.34Å; P1978-L1980 VanDerWaalsContact O-N 3.13Å; P1978-K1981 PolarHBondContact O-N 2.9Å |
| 1979 | S | 49.2 | Very low | 57.3 | Low | 99 Ų | 99 | 92.4 Ų | 92.4 | 69% | 0.692 | 51% | 0.505 | S | S | * | . | G | 310 helix | trans | -59.6 | -19.1 | 176 | 42.9 | 0 | 0 | 0 | 0 | 114.2 | S1977 | S1977-S1979 PolarHBondContact O-N 2.88Å; S1977-S1979 VanDerWaalsContact O-N 3.16Å |
| 1980 | L | 47.5 | Very low | 56.2 | Low | 128 Ų | 128 | 90.9 Ų | 90.9 | 67% | 0.67 | 49% | 0.493 | S | S | * | . | G | 310 helix | trans | -97.8 | -0.8 | 172.9 | -78.6 | 86.9 | 0 | 0 | 0 | 114.4 | S1977 P1978 P2023 | S1977-L1980 PolarHBondContact O-N 3.17Å; P1978-L1980 PolarHBondContact O-N 3.34Å; P1978-L1980 VanDerWaalsContact O-N 3.13Å; L1980-P2023 HydrophobicContact CD2-CG 4.4Å |
| 1981 | K | 38.8 | Very low | 55.6 | Low | 111 Ų | 111 | 92.8 Ų | 92.8 | 48% | 0.483 | 50% | 0.503 | S | S | . | . | trans | -131.8 | 98.7 | -178.3 | -76.1 | -178 | 177.3 | 173.9 | 0 | 113.2 | Y1973 P1978 S1983 | Y1973-K1981 PolarHBondContact OH-NZ 3.01Å; P1978-K1981 PolarHBondContact O-N 2.9Å; K1981-S1983 PolarHBondContact O-N 2.89Å | ||
| 1982 | R | 33.7 | Very low | 55.6 | Low | 253 Ų | 253 | 89.5 Ų | 89.5 | 96% | 0.955 | 49% | 0.489 | S | S | * | . | trans | -69 | 86 | 167.1 | -76.1 | 179.8 | 169.1 | 162.2 | -3.5 | 111.9 | ||||
| 1983 | S | 33.8 | Very low | 55.4 | Low | 105 Ų | 105 | 94.8 Ų | 94.8 | 73% | 0.734 | 51% | 0.514 | S | S | * | . | trans | 175 | 114.5 | 140.5 | 38.2 | 0 | 0 | 0 | 0 | 115.2 | K1981 | K1981-S1983 PolarHBondContact O-N 2.89Š| ||
| 1984 | S | 34.7 | Very low | 55.6 | Low | 118 Ų | 118 | 94.2 Ų | 94.2 | 83% | 0.825 | 52% | 0.515 | S | S | * | . | trans | 31.6 | 101.1 | 142.7 | 59.2 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 1985 | S | 37.8 | Very low | 56.2 | Low | 95 Ų | 95 | 91.8 Ų | 91.8 | 66% | 0.664 | 49% | 0.49 | S | S | * | . | -157.9 | 133.2 | 126.6 | -168.3 | 0 | 0 | 0 | 0 | 110.3 | T1987 | S1985-T1987 PolarHBondContact O-N 3.27Š| |||
| 1986 | R | 36.6 | Very low | 56.6 | Low | 235 Ų | 235 | 91.2 Ų | 91.2 | 89% | 0.887 | 49% | 0.487 | S | S | * | . | S | Bend | trans | -99.9 | 40.8 | -161.5 | -76.5 | -178.1 | 162.3 | 173.9 | -5.3 | 115.5 | ||
| 1987 | T | 43.2 | Very low | 57.3 | Low | 121 Ų | 121 | 90.1 Ų | 90.1 | 74% | 0.742 | 48% | 0.481 | S | S | * | . | S | Bend | trans | -141.4 | 12.1 | -175 | 58.4 | 0 | 0 | 0 | 0 | 116 | S1985 | S1985-T1987 PolarHBondContact O-N 3.27Š|
| 1988 | M | 44.1 | Very low | 58.6 | Low | 118 Ų | 118 | 89.9 Ų | 89.9 | 58% | 0.581 | 48% | 0.479 | S | S | * | . | S | Bend | trans | -122.9 | -9 | -178.7 | -82 | -85.6 | 127.2 | 0 | 0 | 114 | C1990 L1991 | M1988-C1990 VanDerWaalsContact C-N 3.28Å; M1988-C1990 PolarHBondContact O-N 3.44Å; M1988-C1990 VanDerWaalsContact O-N 3.07Å; M1988-L1991 HydrophobicContact CE-CD1 4.27Å; M1988-L1991 HydrophobicContact SD-CD1 3.58Å; M1988-L1991 VanDerWaalsContact SD-CD1 3.58Å; M1988-L1991 HydrophobicContact SD-CG 4.47Å |
| 1989 | D | 46.8 | Very low | 60.3 | Low | 108 Ų | 108 | 85.6 Ų | 85.6 | 58% | 0.578 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.1 | -16.8 | -157.7 | -56.1 | -55.6 | 0 | 0 | 0 | 115.8 | ||
| 1990 | C | 54.2 | Low | 62.1 | Low | 72 Ų | 72 | 81.3 Ų | 81.3 | 49% | 0.486 | 42% | 0.421 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.6 | 10.6 | -172.2 | -57.7 | 0 | 0 | 0 | 0 | 115.3 | Q1938 M1988 L1992 E1993 | Q1938-C1990 PolarHBondContact NE2-O 3.13Å; M1988-C1990 VanDerWaalsContact C-N 3.28Å; M1988-C1990 PolarHBondContact O-N 3.44Å; M1988-C1990 VanDerWaalsContact O-N 3.07Å; C1990-L1992 PolarHBondContact O-N 2.84Å; C1990-E1993 HydrophobicContact CB-CG 4.21Å; C1990-E1993 PolarHBondContact O-N 2.9Å; C1990-E1993 PolarHBondContact SG-OE1 3.49Å |
| 1991 | L | 69.6 | Low | 63.6 | Low | 47 Ų | 47 | 80.6 Ų | 80.6 | 25% | 0.246 | 42% | 0.422 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -21.7 | -167.2 | -91.5 | 179.5 | 0 | 0 | 0 | 116.9 | Q1938 Y1941 L1975 M1988 | Q1938-L1991 VanDerWaalsContact CD-O 3.27Å; Q1938-L1991 VanDerWaalsContact CG-O 3.23Å; Q1938-L1991 WeakPolarHBondContact CG-O 3.36Å; Y1941-L1991 HydrophobicContact CE1-CD1 4.27Å; L1975-L1991 HydrophobicContact CD2-CB 4.34Å; L1975-L1991 HydrophobicContact CD2-CD1 4.31Å; M1988-L1991 HydrophobicContact CE-CD1 4.27Å; M1988-L1991 HydrophobicContact SD-CD1 3.58Å; M1988-L1991 VanDerWaalsContact SD-CD1 3.58Å; M1988-L1991 HydrophobicContact SD-CG 4.47Å |
| 1992 | L | 80.8 | Confident | 65.7 | Low | 12 Ų | 12 | 76.6 Ų | 76.6 | 6% | 0.063 | 41% | 0.405 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -130.9 | 13 | -177.3 | -65 | 178.2 | 0 | 0 | 0 | 114.1 | Q1938 L1942 L1975 C1990 L1994 V1995 V2018 | Q1938-L1992 VanDerWaalsContact OE1-C 3.31Å; L1942-L1992 HydrophobicContact CB-CD2 3.99Å; L1942-L1992 HydrophobicContact CD1-CD1 4.05Å; L1942-L1992 HydrophobicContact CD1-CD2 4.41Å; L1975-L1992 HydrophobicContact CD1-CD1 4.06Å; L1975-L1992 HydrophobicContact CD2-CD1 3.82Å; L1975-L1992 HydrophobicContact CD2-CG 4.11Å; L1975-L1992 HydrophobicContact CG-CD1 4.4Å; C1990-L1992 PolarHBondContact O-N 2.84Å; L1992-L1994 PolarHBondContact O-N 2.88Å; L1992-V1995 HydrophobicContact CD2-CB 4.42Å; L1992-V1995 HydrophobicContact CD2-CG2 4.06Å; L1992-V1995 PolarHBondContact O-N 3.36Å; L1992-V2018 HydrophobicContact CB-CB 4.34Å; L1992-V2018 HydrophobicContact CD1-CB 4.06Å; L1992-V2018 HydrophobicContact CD1-CG1 3.67Å |
| 1993 | E | 81.3 | Confident | 68 | Low | 111 Ų | 111 | 69.6 Ų | 69.6 | 52% | 0.519 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | -21.9 | -173.3 | -82.6 | -172.7 | -176.4 | 0 | 0 | 115.1 | C1990 R2017 | C1990-E1993 HydrophobicContact CB-CG 4.21Å; C1990-E1993 PolarHBondContact O-N 2.9Å; C1990-E1993 PolarHBondContact SG-OE1 3.49Å; E1993-R2017 WeakPolarHBondContact O-CD 3.41Å; E1993-R2017 PolarHBondContact O-NE 3.18Å |
| 1994 | L | 85.7 | Confident | 70.4 | Confident | 59 Ų | 59 | 68.3 Ų | 68.3 | 31% | 0.309 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.6 | -13.6 | -180 | -53.2 | 178.4 | 0 | 0 | 0 | 113.2 | H1864 E1934 L1935 Q1938 L1992 A1996 | H1864-L1994 PolarHBondContact CE1-O 3.34Å; E1934-L1994 HydrophobicContact CB-CD1 3.95Å; E1934-L1994 HydrophobicContact CG-CD1 3.99Å; L1935-L1994 HydrophobicContact CB-CD1 4.47Å; L1935-L1994 HydrophobicContact CD1-CB 3.97Å; L1935-L1994 WeakPolarHBondContact CD1-O 3.05Å; Q1938-L1994 VanDerWaalsContact OE1-N 3.1Å; L1992-L1994 PolarHBondContact O-N 2.88Å; L1994-A1996 PolarHBondContact O-N 2.89Å |
| 1995 | V | 89.4 | Confident | 72.8 | Confident | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 35% | 0.347 | C | S | . | . | trans | -89.4 | 111.5 | -168.2 | -174.5 | 0 | 0 | 0 | 0 | 111.7 | L1935 Q1938 M1939 L1942 L1992 R2017 V2018 | L1935-V1995 HydrophobicContact CD1-CG2 4.25Å; Q1938-V1995 HydrophobicContact CB-CG2 3.39Å; M1939-V1995 HydrophobicContact CG-CG1 4.1Å; M1939-V1995 HydrophobicContact CG-CG2 4.05Å; L1942-V1995 HydrophobicContact CD2-CG1 3.67Å; L1992-V1995 HydrophobicContact CD2-CB 4.42Å; L1992-V1995 HydrophobicContact CD2-CG2 4.06Å; L1992-V1995 PolarHBondContact O-N 3.36Å; V1995-R2017 VanDerWaalsContact O-CA 3.25Å; V1995-R2017 WeakPolarHBondContact O-CA 3.38Å; V1995-R2017 VanDerWaalsContact O-CB 3.3Å; V1995-R2017 WeakPolarHBondContact O-CB 3.25Å; V1995-V2018 PolarHBondContact O-N 2.96Å; V1995-V2018 VanDerWaalsContact O-N 3.08Å | ||
| 1996 | A | 90.3 | Very high | 74.9 | Confident | 2 Ų | 2 | 67.7 Ų | 67.7 | 2% | 0.017 | 34% | 0.344 | C | S | . | . | B | Isolated β-bridge | trans | -56.9 | 138.6 | 168 | 0 | 0 | 0 | 0 | 0 | 111.5 | H1864 L1994 P1998 F2002 L2015 I2016 | H1864-A1996 HydrophobicContact CB-CB 4.34Å; L1994-A1996 PolarHBondContact O-N 2.89Å; A1996-P1998 WeakPolarHBondContact O-CD 3.23Å; A1996-F2002 HydrophobicContact CB-CD1 4.45Å; A1996-F2002 HydrophobicContact CB-CE1 3.73Å; A1996-F2002 HydrophobicContact CB-CZ 3.83Å; A1996-L2015 HydrophobicContact CB-CD1 4.24Å; A1996-L2015 HydrophobicContact CB-CD2 4.03Å; A1996-I2016 WeakPolarHBondContact CA-O 3.49Å |
| 1997 | L | 91 | Very high | 77 | Confident | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 32% | 0.322 | C | S | . | . | trans | -60.9 | 116.5 | -175.8 | -163.4 | 163.5 | 0 | 0 | 0 | 109.7 | T1999 C2000 I2016 V2018 C2039 Y2047 | L1997-T1999 WeakPolarHBondContact CD2-OG1 3.47Å; L1997-T1999 PolarHBondContact O-N 3.16Å; L1997-C2000 HydrophobicContact CB-CB 4.38Å; L1997-C2000 HydrophobicContact CD2-CB 4.5Å; L1997-C2000 PolarHBondContact O-N 3.05Å; L1997-C2000 VanDerWaalsContact O-N 3.1Å; L1997-I2016 HydrophobicContact CB-CG2 4.38Å; L1997-I2016 HydrophobicContact CD1-CG2 4.3Å; L1997-I2016 PolarHBondContact N-O 3.14Å; L1997-V2018 HydrophobicContact CB-CG2 4.39Å; L1997-V2018 HydrophobicContact CG-CG2 4.38Å; L1997-C2039 HydrophobicContact CD1-CB 4.45Å; L1997-Y2047 HydrophobicContact CD1-CD2 3.45Å; L1997-Y2047 VanDerWaalsContact CD1-CD2 3.45Å; L1997-Y2047 HydrophobicContact CD1-CE2 4.12Å; L1997-Y2047 HydrophobicContact CD1-CG 3.91Å | ||
| 1998 | P | 88.9 | Confident | 78.7 | Confident | 1 Ų | 1 | 53.6 Ų | 53.6 | 1% | 0.006 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -41.5 | -163.7 | -28.6 | 35.7 | 0 | 0 | 0 | 114.4 | F1868 L1942 Y1946 A1996 K2115 I2117 | F1868-P1998 HydrophobicContact CE2-CB 4.04Å; F1868-P1998 HydrophobicContact CE2-CG 4.03Å; F1868-P1998 HydrophobicContact CZ-CB 4.24Å; F1868-P1998 HydrophobicContact CZ-CG 3.82Å; L1942-P1998 HydrophobicContact CD2-CG 3.7Å; Y1946-P1998 HydrophobicContact CE2-CG 4.31Å; A1996-P1998 WeakPolarHBondContact O-CD 3.23Å; P1998-K2115 VanDerWaalsContact O-CD 3.31Å; P1998-K2115 WeakPolarHBondContact O-CD 3.45Å; P1998-K2115 VanDerWaalsContact O-CE 3.29Å; P1998-K2115 WeakPolarHBondContact O-CE 3.14Å; P1998-K2115 PolarHBondContact O-NZ 3.44Å; P1998-I2117 HydrophobicContact CB-CD1 3.73Å; P1998-I2117 WeakPolarHBondContact O-CD1 3.38Å |
| 1999 | T | 89.9 | Confident | 80.5 | Confident | 3 Ų | 3 | 51.6 Ų | 51.6 | 2% | 0.018 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | -17.2 | -179.2 | 49.6 | 0 | 0 | 0 | 0 | 114.3 | L1997 Q2049 K2115 V2125 E2127 | L1997-T1999 WeakPolarHBondContact CD2-OG1 3.47Å; L1997-T1999 PolarHBondContact O-N 3.16Å; T1999-Q2049 HydrophobicContact CG2-CG 3.97Å; T1999-Q2049 PolarHBondContact OG1-NE2 3.48Å; T1999-K2115 WeakPolarHBondContact O-CB 3.48Å; T1999-K2115 WeakPolarHBondContact O-CD 3.38Å; T1999-V2125 HydrophobicContact CG2-CG1 3.81Å; T1999-E2127 HydrophobicContact CG2-CB 4.23Å |
| 2000 | C | 85.4 | Confident | 82.3 | Confident | 9 Ų | 9 | 46.9 Ų | 46.9 | 6% | 0.061 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -68.5 | 144.3 | 176 | -73.7 | 0 | 0 | 0 | 0 | 112 | L1997 F2002 K2115 | L1997-C2000 HydrophobicContact CB-CB 4.38Å; L1997-C2000 HydrophobicContact CD2-CB 4.5Å; L1997-C2000 PolarHBondContact O-N 3.05Å; L1997-C2000 VanDerWaalsContact O-N 3.1Å; C2000-F2002 HydrophobicContact CB-CD1 4.24Å; C2000-F2002 WeakPolarHBondContact O-CE1 3.34Å; C2000-K2115 WeakPolarHBondContact O-CD 3.34Å; C2000-K2115 PolarHBondContact O-NZ 3.23Å |
| 2001 | T | 79.5 | Confident | 83.6 | Confident | 113 Ų | 113 | 46.3 Ų | 46.3 | 69% | 0.693 | 25% | 0.251 | S | S | * | . | trans | -92.8 | 123.4 | 165.1 | 48.7 | 0 | 0 | 0 | 0 | 109.4 | K2115 | T2001-K2115 HydrophobicContact CG2-CD 4.19Š| ||
| 2002 | F | 83.6 | Confident | 84 | Confident | 26 Ų | 26 | 48.8 Ų | 48.8 | 11% | 0.114 | 26% | 0.264 | C | S | . | . | trans | -127.6 | 147.4 | 178.6 | 35.4 | -99.5 | 0 | 0 | 0 | 109.9 | H1864 H1865 A1996 C2000 L2015 | H1864-F2002 HydrophobicContact CB-CE2 3.68Å; H1864-F2002 HydrophobicContact CB-CZ 3.84Å; H1865-F2002 AromaticContact CE1-CD2 3.65Å; H1865-F2002 AromaticContact CE1-CE2 3.67Å; H1865-F2002 AromaticContact NE2-CD2 3.81Å; H1865-F2002 AromaticContact NE2-CE2 3.77Å; A1996-F2002 HydrophobicContact CB-CD1 4.45Å; A1996-F2002 HydrophobicContact CB-CE1 3.73Å; A1996-F2002 HydrophobicContact CB-CZ 3.83Å; C2000-F2002 HydrophobicContact CB-CD1 4.24Å; C2000-F2002 WeakPolarHBondContact O-CE1 3.34Å; F2002-L2015 HydrophobicContact CB-CD2 4.38Å; F2002-L2015 HydrophobicContact CD1-CD2 4.42Å; F2002-L2015 HydrophobicContact CD2-CD2 4Å; F2002-L2015 HydrophobicContact CE2-CD2 4.42Å; F2002-L2015 HydrophobicContact CG-CD2 4.01Å | ||
| 2003 | P | 81.1 | Confident | 84 | Confident | 107 Ų | 107 | 53.8 Ų | 53.8 | 70% | 0.695 | 30% | 0.3 | S | S | * | . | trans | -66.1 | 148.4 | -177 | 27.7 | -35.1 | 0 | 0 | 0 | 111.7 | D2005 | P2003-D2005 PolarHBondContact O-N 3.05Š| ||
| 2004 | I | 85 | Confident | 83.9 | Confident | 78 Ų | 78 | 51.4 Ų | 51.4 | 40% | 0.4 | 30% | 0.296 | S | S | . | . | trans | -76.1 | 114.3 | 178.4 | -61.9 | 161.9 | 0 | 0 | 0 | 109.1 | D1824 L1827 R2006 | D1824-I2004 HydrophobicContact CB-CG2 3.93Å; L1827-I2004 HydrophobicContact CD1-CD1 4Å; L1827-I2004 HydrophobicContact CD1-CG1 4.13Å; L1827-I2004 HydrophobicContact CD1-CG2 3.91Å; I2004-R2006 PolarHBondContact O-N 2.88Å | ||
| 2005 | D | 84.1 | Confident | 83.8 | Confident | 38 Ų | 38 | 49 Ų | 49 | 20% | 0.203 | 28% | 0.284 | C | S | . | . | trans | -74.7 | 111.7 | 169.6 | 173.9 | 11.6 | 0 | 0 | 0 | 110.1 | H1862 P2003 S2007 G2008 T2009 Y2010 | H1862-D2005 PolarHBondContact CE1-O 2.86Å; H1862-D2005 VanDerWaalsContact CE1-O 3.24Å; P2003-D2005 PolarHBondContact O-N 3.05Å; D2005-S2007 PolarHBondContact O-N 2.99Å; D2005-S2007 WeakPolarHBondContact OD1-CB 3.22Å; D2005-S2007 PolarHBondContact OD1-N 3.08Å; D2005-S2007 PolarHBondContact OD1-OG 3.35Å; D2005-S2007 PolarHBondContact OD2-OG 2.89Å; D2005-G2008 PolarHBondContact O-N 3.33Å; D2005-T2009 PolarHBondContact OD2-N 2.65Å; D2005-T2009 PolarHBondContact OD2-OG1 3.1Å; D2005-Y2010 HydrophobicContact CB-CD1 3.94Å; D2005-Y2010 HydrophobicContact CB-CD2 4.31Å; D2005-Y2010 HydrophobicContact CB-CE1 3.84Å; D2005-Y2010 HydrophobicContact CB-CE2 4.19Å; D2005-Y2010 HydrophobicContact CB-CG 4.19Å; D2005-Y2010 PolarHBondContact OD2-N 3.08Å | ||
| 2006 | R | 82.5 | Confident | 83.8 | Confident | 161 Ų | 161 | 51.3 Ų | 51.3 | 61% | 0.608 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -21.3 | 179.6 | -59.2 | -178.8 | -174.2 | -174.4 | -0.1 | 113.6 | D1782 I2004 G2008 | D1782-R2006 IonicContact OD2-CZ 2.67Å; D1782-R2006 VanDerWaalsContact OD2-CZ 3.24Å; D1782-R2006 IonicContact OD2-NE 3.37Å; D1782-R2006 IonicContact OD2-NH1 3.31Å; D1782-R2006 PolarHBondContact OD2-NH1 2.79Å; D1782-R2006 IonicContact OD2-NH2 3.04Å; I2004-R2006 PolarHBondContact O-N 2.88Å; R2006-G2008 VanDerWaalsContact C-N 3.31Å |
| 2007 | S | 79.9 | Confident | 83.8 | Confident | 60 Ų | 60 | 53 Ų | 53 | 42% | 0.42 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80 | -14.2 | 175 | 74.4 | 0 | 0 | 0 | 0 | 113.1 | D2005 T2009 | D2005-S2007 PolarHBondContact O-N 2.99Å; D2005-S2007 WeakPolarHBondContact OD1-CB 3.22Å; D2005-S2007 PolarHBondContact OD1-N 3.08Å; D2005-S2007 PolarHBondContact OD1-OG 3.35Å; D2005-S2007 PolarHBondContact OD2-OG 2.89Å; S2007-T2009 PolarHBondContact O-N 2.77Å; S2007-T2009 WeakPolarHBondContact OG-CG2 3.46Å; S2007-T2009 PolarHBondContact OG-N 3.08Å; S2007-T2009 PolarHBondContact OG-OG1 3.33Å |
| 2008 | G | 79.5 | Confident | 83.7 | Confident | 1 Ų | 1 | 53.5 Ų | 53.5 | 1% | 0.01 | 30% | 0.304 | C | S | . | . | S | Bend | trans | 64.3 | 11.7 | -171.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | W1861 R1932 D2005 R2006 | W1861-G2008 VanDerWaalsContact O-CA 3.26Å; W1861-G2008 WeakPolarHBondContact O-CA 3.39Å; R1932-G2008 PolarHBondContact NH2-O 3.34Å; D2005-G2008 PolarHBondContact O-N 3.33Å; R2006-G2008 VanDerWaalsContact C-N 3.31Å |
| 2009 | T | 80.9 | Confident | 83.5 | Confident | 75 Ų | 75 | 55.2 Ų | 55.2 | 46% | 0.46 | 32% | 0.322 | S | S | . | . | trans | -79.1 | -40.9 | -176.8 | 61.7 | 0 | 0 | 0 | 0 | 112.2 | D2005 S2007 | D2005-T2009 PolarHBondContact OD2-N 2.65Å; D2005-T2009 PolarHBondContact OD2-OG1 3.1Å; S2007-T2009 PolarHBondContact O-N 2.77Å; S2007-T2009 WeakPolarHBondContact OG-CG2 3.46Å; S2007-T2009 PolarHBondContact OG-N 3.08Å; S2007-T2009 PolarHBondContact OG-OG1 3.33Å | ||
| 2010 | Y | 85.2 | Confident | 83.3 | Confident | 9 Ų | 9 | 55.4 Ų | 55.4 | 4% | 0.035 | 32% | 0.324 | C | S | . | . | trans | 52.2 | 69.4 | -179.1 | -67.8 | -86.7 | 0 | 0 | 0 | 113.1 | H1862 H1865 D2005 L2015 | H1862-Y2010 HydrophobicContact CB-CE2 4.4Å; H1862-Y2010 AromaticContact ND1-CE2 3.64Å; H1862-Y2010 AromaticContact ND1-CZ 3.77Å; H1862-Y2010 PolarHBondContact ND1-OH 3.06Å; H1865-Y2010 AromaticContact CD2-CZ 3.72Å; H1865-Y2010 PolarHBondContact CD2-OH 2.8Å; H1865-Y2010 AromaticContact NE2-CE1 3.48Å; H1865-Y2010 WeakPolarHBondContact NE2-CE1 3.45Å; H1865-Y2010 AromaticContact NE2-CZ 3.57Å; H1865-Y2010 PolarHBondContact NE2-OH 3.17Å; D2005-Y2010 HydrophobicContact CB-CD1 3.94Å; D2005-Y2010 HydrophobicContact CB-CD2 4.31Å; D2005-Y2010 HydrophobicContact CB-CE1 3.84Å; D2005-Y2010 HydrophobicContact CB-CE2 4.19Å; D2005-Y2010 HydrophobicContact CB-CG 4.19Å; D2005-Y2010 PolarHBondContact OD2-N 3.08Å; Y2010-L2015 HydrophobicContact CD1-CD2 4.15Å | ||
| 2011 | P | 81.8 | Confident | 83.5 | Confident | 60 Ų | 60 | 55.2 Ų | 55.2 | 39% | 0.39 | 32% | 0.322 | S | S | . | . | trans | -64.1 | 146.2 | -177.8 | 27 | -35.1 | 0 | 0 | 0 | 112.8 | S2013 S2014 | P2011-S2013 PolarHBondContact O-N 2.88Å; P2011-S2014 PolarHBondContact O-N 3.19Å; P2011-S2014 PolarHBondContact O-OG 2.93Å; P2011-S2014 VanDerWaalsContact O-OG 3.11Å | ||
| 2012 | N | 79.3 | Confident | 83.9 | Confident | 99 Ų | 99 | 51.1 Ų | 51.1 | 53% | 0.529 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -8.6 | -177.6 | -70.8 | 1.5 | 0 | 0 | 0 | 115.4 | R2017 | N2012-R2017 PolarHBondContact O-NH1 3.3Š|
| 2013 | S | 79.2 | Confident | 84.1 | Confident | 117 Ų | 117 | 52 Ų | 52 | 82% | 0.818 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.6 | -16.6 | 174.2 | 51.7 | 0 | 0 | 0 | 0 | 114.5 | P2011 | P2011-S2013 PolarHBondContact O-N 2.88Š|
| 2014 | S | 79 | Confident | 84.5 | Confident | 62 Ų | 62 | 49.3 Ų | 49.3 | 43% | 0.434 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.9 | -10.7 | 178.5 | 65.3 | 0 | 0 | 0 | 0 | 114.2 | P2011 | P2011-S2014 PolarHBondContact O-N 3.19Å; P2011-S2014 PolarHBondContact O-OG 2.93Å; P2011-S2014 VanDerWaalsContact O-OG 3.11Å |
| 2015 | L | 85.1 | Confident | 84.7 | Confident | 9 Ų | 9 | 45.7 Ų | 45.7 | 5% | 0.047 | 27% | 0.268 | C | S | . | . | trans | -105.5 | 121.4 | 179 | -70.9 | -179.8 | 0 | 0 | 0 | 112.4 | A1996 F2002 Y2010 R2017 | A1996-L2015 HydrophobicContact CB-CD1 4.24Å; A1996-L2015 HydrophobicContact CB-CD2 4.03Å; F2002-L2015 HydrophobicContact CB-CD2 4.38Å; F2002-L2015 HydrophobicContact CD1-CD2 4.42Å; F2002-L2015 HydrophobicContact CD2-CD2 4Å; F2002-L2015 HydrophobicContact CE2-CD2 4.42Å; F2002-L2015 HydrophobicContact CG-CD2 4.01Å; Y2010-L2015 HydrophobicContact CD1-CD2 4.15Å; L2015-R2017 HydrophobicContact CB-CG 4.05Å; L2015-R2017 PolarHBondContact O-N 3.03Å; L2015-R2017 PolarHBondContact O-NH1 3.42Å | ||
| 2016 | I | 88.9 | Confident | 85 | Confident | 48 Ų | 48 | 49.9 Ų | 49.9 | 25% | 0.246 | 28% | 0.281 | C | S | . | . | trans | -70.4 | 115.8 | 159.5 | -58.2 | 161.6 | 0 | 0 | 0 | 107.1 | A1996 L1997 Y2047 | A1996-I2016 WeakPolarHBondContact CA-O 3.49Å; L1997-I2016 HydrophobicContact CB-CG2 4.38Å; L1997-I2016 HydrophobicContact CD1-CG2 4.3Å; L1997-I2016 PolarHBondContact N-O 3.14Å; I2016-Y2047 HydrophobicContact CG2-CE2 4.12Å | ||
| 2017 | R | 89.8 | Confident | 85 | Confident | 38 Ų | 38 | 43.1 Ų | 43.1 | 14% | 0.143 | 26% | 0.257 | C | S | . | . | B | Isolated β-bridge | trans | -108.9 | 166.6 | -179.3 | -61.6 | -178.2 | -50.4 | -68 | 7.6 | 110.5 | E1993 V1995 N2012 L2015 G2019 G2041 T2042 | E1993-R2017 WeakPolarHBondContact O-CD 3.41Å; E1993-R2017 PolarHBondContact O-NE 3.18Å; V1995-R2017 VanDerWaalsContact O-CA 3.25Å; V1995-R2017 WeakPolarHBondContact O-CA 3.38Å; V1995-R2017 VanDerWaalsContact O-CB 3.3Å; V1995-R2017 WeakPolarHBondContact O-CB 3.25Å; N2012-R2017 PolarHBondContact O-NH1 3.3Å; L2015-R2017 HydrophobicContact CB-CG 4.05Å; L2015-R2017 PolarHBondContact O-N 3.03Å; L2015-R2017 PolarHBondContact O-NH1 3.42Å; R2017-G2019 PolarHBondContact O-N 2.78Å; R2017-G2041 WeakPolarHBondContact O-CA 3.32Å; R2017-T2042 HydrophobicContact CB-CG2 3.88Å; R2017-T2042 PolarHBondContact N-OG1 3.43Å; R2017-T2042 PolarHBondContact O-N 3.14Å |
| 2018 | V | 89.3 | Confident | 84.7 | Confident | 10 Ų | 10 | 44.1 Ų | 44.1 | 6% | 0.061 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 109.8 | 179.4 | -178.5 | 0 | 0 | 0 | 0 | 109.7 | L1942 L1992 V1995 L1997 G2020 F2021 | L1942-V2018 HydrophobicContact CD2-CG2 4.4Å; L1992-V2018 HydrophobicContact CB-CB 4.34Å; L1992-V2018 HydrophobicContact CD1-CB 4.06Å; L1992-V2018 HydrophobicContact CD1-CG1 3.67Å; V1995-V2018 PolarHBondContact O-N 2.96Å; V1995-V2018 VanDerWaalsContact O-N 3.08Å; L1997-V2018 HydrophobicContact CB-CG2 4.39Å; L1997-V2018 HydrophobicContact CG-CG2 4.38Å; V2018-G2020 VanDerWaalsContact C-N 3.31Å; V2018-F2021 HydrophobicContact CG1-CE2 4.04Å; V2018-F2021 HydrophobicContact CG1-CZ 4.38Å |
| 2019 | G | 84 | Confident | 84.3 | Confident | 36 Ų | 36 | 45.6 Ų | 45.6 | 37% | 0.371 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | -6.1 | 170.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | S1977 R2017 L2040 | S1977-G2019 PolarHBondContact OG-O 2.67Å; R2017-G2019 PolarHBondContact O-N 2.78Å; G2019-L2040 WeakPolarHBondContact CA-O 3.34Å; G2019-L2040 PolarHBondContact N-O 3.03Å |
| 2020 | G | 86.9 | Confident | 83.5 | Confident | 7 Ų | 7 | 43.9 Ų | 43.9 | 7% | 0.072 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 130.1 | -170.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | L1975 S1977 V2018 L2040 | L1975-G2020 CarbonylContact O-C 3.48Å; L1975-G2020 WeakPolarHBondContact O-CA 3.38Å; S1977-G2020 VanDerWaalsContact OG-CA 3.32Å; S1977-G2020 WeakPolarHBondContact OG-CA 3.43Å; V2018-G2020 VanDerWaalsContact C-N 3.31Å; G2020-L2040 PolarHBondContact O-N 3.3Å |
| 2021 | F | 89.2 | Confident | 82.5 | Confident | 5 Ų | 5 | 46.8 Ų | 46.8 | 2% | 0.022 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 155 | -178 | -67.2 | -89.8 | 0 | 0 | 0 | 113.1 | L1942 Y1946 L1972 L1975 V1976 S1977 V2018 I2037 C2039 | L1942-F2021 HydrophobicContact CD1-CE2 4.21Å; L1942-F2021 HydrophobicContact CD1-CZ 4.1Å; Y1946-F2021 HydrophobicContact CE1-CE1 4.21Å; Y1946-F2021 HydrophobicContact CE1-CZ 4.21Å; Y1946-F2021 AromaticContact CZ-CZ 3.98Å; Y1946-F2021 WeakPolarHBondContact OH-CZ 3.46Å; L1972-F2021 HydrophobicContact CD2-CB 4.13Å; L1972-F2021 HydrophobicContact CD2-CD1 3.96Å; L1972-F2021 HydrophobicContact CD2-CD2 4.02Å; L1972-F2021 HydrophobicContact CD2-CE1 4.38Å; L1972-F2021 HydrophobicContact CD2-CE2 4.44Å; L1972-F2021 HydrophobicContact CD2-CG 3.76Å; L1972-F2021 HydrophobicContact CG-CD2 4.46Å; L1972-F2021 HydrophobicContact CG-CE2 4.49Å; L1975-F2021 HydrophobicContact CB-CD2 3.7Å; L1975-F2021 HydrophobicContact CB-CE2 4.05Å; L1975-F2021 HydrophobicContact CD1-CE2 4.21Å; L1975-F2021 PolarHBondContact O-N 3.46Å; V1976-F2021 WeakPolarHBondContact CA-O 3.34Å; S1977-F2021 PolarHBondContact N-O 2.79Å; V2018-F2021 HydrophobicContact CG1-CE2 4.04Å; V2018-F2021 HydrophobicContact CG1-CZ 4.38Å; F2021-I2037 HydrophobicContact CD1-CD1 3.91Å; F2021-I2037 HydrophobicContact CE1-CD1 3.81Å; F2021-C2039 HydrophobicContact CD1-CB 4Å; F2021-C2039 HydrophobicContact CE1-CB 3.82Å |
| 2022 | S | 88.7 | Confident | 82 | Confident | 28 Ų | 28 | 47.5 Ų | 47.5 | 20% | 0.196 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.3 | 143.6 | 164.7 | 171.2 | 0 | 0 | 0 | 0 | 110.7 | L1966 D2024 G2038 | L1966-S2022 VanDerWaalsContact CD1-O 3.23Å; L1966-S2022 WeakPolarHBondContact CD1-O 3.47Å; S2022-D2024 PolarHBondContact O-N 2.99Å; S2022-D2024 PolarHBondContact OG-N 3.36Å; S2022-D2024 VanDerWaalsContact OG-N 3.1Å; S2022-D2024 PolarHBondContact OG-O 3.36Å; S2022-G2038 WeakPolarHBondContact CB-O 3.07Å; S2022-G2038 PolarHBondContact N-O 3.17Å |
| 2023 | P | 86.5 | Confident | 82 | Confident | 43 Ų | 43 | 43.1 Ų | 43.1 | 28% | 0.279 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | -18.1 | 171.2 | 30.4 | -36 | 0 | 0 | 0 | 113.3 | S1965 L1966 V1976 L1980 | S1965-P2023 WeakPolarHBondContact CA-O 3.31Å; L1966-P2023 WeakPolarHBondContact CG-O 3.45Å; L1966-P2023 PolarHBondContact N-O 3.05Å; V1976-P2023 HydrophobicContact CG1-CB 4.21Å; L1980-P2023 HydrophobicContact CD2-CG 4.4Å |
| 2024 | D | 89.2 | Confident | 82.2 | Confident | 51 Ų | 51 | 38.9 Ų | 38.9 | 27% | 0.273 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 150.2 | -174.1 | -56.1 | -53.9 | 0 | 0 | 0 | 113.5 | N1963 I1964 S1965 S2022 | N1963-D2024 HydrophobicContact CB-CB 4.19Å; I1964-D2024 CarbonylContact O-C 3.08Å; I1964-D2024 WeakPolarHBondContact O-CA 3.38Å; S1965-D2024 WeakPolarHBondContact CA-OD1 3.31Å; S1965-D2024 VanDerWaalsContact CB-OD1 3.26Å; S1965-D2024 WeakPolarHBondContact CB-OD1 3.26Å; S1965-D2024 PolarHBondContact N-OD1 3.48Å; S1965-D2024 PolarHBondContact OG-OD1 2.8Å; S2022-D2024 PolarHBondContact O-N 2.99Å; S2022-D2024 PolarHBondContact OG-N 3.36Å; S2022-D2024 VanDerWaalsContact OG-N 3.1Å; S2022-D2024 PolarHBondContact OG-O 3.36Å |
| 2025 | F | 90.6 | Very high | 82.7 | Confident | 3 Ų | 3 | 36.2 Ų | 36.2 | 1% | 0.013 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 170.9 | 177.1 | 77.6 | -86.6 | 0 | 0 | 0 | 111.6 | W1949 V1954 Y1957 N1963 I1964 L1966 L2027 K2035 V2036 I2037 | W1949-F2025 AromaticContact CH2-CD1 3.81Å; W1949-F2025 HydrophobicContact CH2-CD1 3.81Å; W1949-F2025 HydrophobicContact CH2-CD2 4.19Å; W1949-F2025 AromaticContact CH2-CE1 3.75Å; W1949-F2025 HydrophobicContact CH2-CE1 3.75Å; W1949-F2025 HydrophobicContact CH2-CE2 4.13Å; W1949-F2025 HydrophobicContact CH2-CG 4.04Å; W1949-F2025 AromaticContact CH2-CZ 3.92Å; W1949-F2025 HydrophobicContact CH2-CZ 3.92Å; W1949-F2025 HydrophobicContact CZ2-CB 4.12Å; W1949-F2025 AromaticContact CZ2-CD1 3.9Å; W1949-F2025 HydrophobicContact CZ2-CD1 3.9Å; W1949-F2025 AromaticContact CZ2-CD2 3.85Å; W1949-F2025 HydrophobicContact CZ2-CD2 3.85Å; W1949-F2025 HydrophobicContact CZ2-CE1 4.27Å; W1949-F2025 HydrophobicContact CZ2-CE2 4.22Å; W1949-F2025 AromaticContact CZ2-CG 3.69Å; W1949-F2025 HydrophobicContact CZ2-CG 3.69Å; W1949-F2025 HydrophobicContact CZ2-CZ 4.42Å; V1954-F2025 HydrophobicContact CG1-CE2 4.45Å; V1954-F2025 HydrophobicContact CG1-CZ 4.34Å; Y1957-F2025 HydrophobicContact CD2-CZ 4.04Å; Y1957-F2025 HydrophobicContact CE2-CZ 4.28Å; N1963-F2025 WeakPolarHBondContact CA-O 3.45Å; I1964-F2025 HydrophobicContact CB-CD1 4.19Å; I1964-F2025 HydrophobicContact CB-CE1 3.76Å; I1964-F2025 HydrophobicContact CB-CE2 4.33Å; I1964-F2025 HydrophobicContact CB-CZ 3.84Å; I1964-F2025 HydrophobicContact CD1-CE2 4.05Å; I1964-F2025 HydrophobicContact CD1-CZ 4.12Å; I1964-F2025 HydrophobicContact CG2-CD1 4.43Å; I1964-F2025 HydrophobicContact CG2-CE1 3.58Å; I1964-F2025 HydrophobicContact CG2-CZ 3.67Å; I1964-F2025 PolarHBondContact N-O 2.95Å; I1964-F2025 WeakPolarHBondContact O-CD1 3.39Å; I1964-F2025 WeakPolarHBondContact O-CE1 3.3Å; I1964-F2025 PolarHBondContact O-N 3.43Å; L1966-F2025 HydrophobicContact CD2-CB 4.26Å; L1966-F2025 HydrophobicContact CD2-CD1 3.92Å; L1966-F2025 HydrophobicContact CD2-CG 4.41Å; L1966-F2025 HydrophobicContact CG-CD1 4.4Å; F2025-L2027 HydrophobicContact CD2-CD2 4.4Å; F2025-L2027 HydrophobicContact CE2-CD2 3.97Å; F2025-L2027 HydrophobicContact CE2-CG 4.08Å; F2025-K2035 HydrophobicContact CD2-CB 4.47Å; F2025-V2036 CarbonylContact C-O 3.6Å; F2025-V2036 VanDerWaalsContact CA-O 3.23Å; F2025-V2036 WeakPolarHBondContact CA-O 3.31Å; F2025-V2036 WeakPolarHBondContact CB-O 3.23Å; F2025-I2037 HydrophobicContact CB-CG2 3.83Å |
| 2026 | R | 88.6 | Confident | 83 | Confident | 125 Ų | 125 | 36.6 Ų | 36.6 | 47% | 0.472 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 152.7 | 177.7 | -160.9 | 171.5 | -171 | 179.5 | 3.7 | 111.2 | A1961 V2036 | A1961-R2026 PolarHBondContact O-NE 3.33Å; A1961-R2026 PolarHBondContact O-NH2 3.43Å; R2026-V2036 HydrophobicContact CB-CB 4.42Å; R2026-V2036 PolarHBondContact N-O 2.84Å; R2026-V2036 PolarHBondContact O-N 3.33Å |
| 2027 | L | 84.2 | Confident | 83.1 | Confident | 20 Ų | 20 | 34.5 Ų | 34.5 | 11% | 0.105 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 142.4 | 175.7 | -65.4 | 178.6 | 0 | 0 | 0 | 111.3 | V1954 I1964 F2025 K2035 | V1954-L2027 HydrophobicContact CG2-CD2 4.1Å; I1964-L2027 HydrophobicContact CD1-CD1 4.48Å; I1964-L2027 HydrophobicContact CD1-CG 4.42Å; F2025-L2027 HydrophobicContact CD2-CD2 4.4Å; F2025-L2027 HydrophobicContact CE2-CD2 3.97Å; F2025-L2027 HydrophobicContact CE2-CG 4.08Å; L2027-K2035 HydrophobicContact CD2-CG 3.81Å |
| 2028 | V | 73.4 | Confident | 83.2 | Confident | 81 Ų | 81 | 33 Ų | 33 | 49% | 0.491 | 20% | 0.203 | S | C | . | . | trans | -99.7 | -5.1 | 179.9 | -152.2 | 0 | 0 | 0 | 0 | 112.8 | V2036 L2050 W2128 | V2028-V2036 HydrophobicContact CG2-CG2 3.56Å; V2028-L2050 HydrophobicContact CG2-CD1 3.69Å; V2028-W2128 HydrophobicContact CG2-CZ3 4.36Å | ||
| 2029 | G | 69.6 | Low | 83.3 | Confident | 32 Ų | 32 | 32.5 Ų | 32.5 | 33% | 0.33 | 20% | 0.2 | S | C | . | . | trans | 87.8 | -162.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | P2034 | G2029-P2034 WeakPolarHBondContact O-CD 3.2Š| ||
| 2030 | G | 65.3 | Low | 83.6 | Confident | 39 Ų | 39 | 33.2 Ų | 33.2 | 40% | 0.402 | 20% | 0.195 | S | C | . | . | S | Bend | trans | 79 | -168.7 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | K1958 L2033 | K1958-G2030 PolarHBondContact NZ-O 3.23Å; G2030-L2033 WeakPolarHBondContact O-CD2 3.27Å |
| 2031 | I | 63.8 | Low | 83.6 | Confident | 70 Ų | 70 | 33 Ų | 33 | 36% | 0.359 | 19% | 0.193 | S | C | . | . | S | Bend | trans | -73.6 | -55.3 | -174.2 | -58.3 | 174.8 | 0 | 0 | 0 | 111 | L2033 A2331 K2332 | I2031-L2033 VanDerWaalsContact C-N 3.32Å; I2031-L2033 PolarHBondContact O-N 3.43Å; I2031-A2331 HydrophobicContact CD1-CB 4.46Å; I2031-K2332 HydrophobicContact CD1-CB 4.1Å |
| 2032 | N | 71 | Confident | 83.5 | Confident | 75 Ų | 75 | 36.2 Ų | 36.2 | 40% | 0.401 | 21% | 0.214 | S | C | . | . | S | Bend | trans | -83.7 | 3.8 | -172.3 | -68.7 | 9.8 | 0 | 0 | 0 | 115.1 | K2054 | N2032-K2054 PolarHBondContact ND2-O 2.88Å; N2032-K2054 VanDerWaalsContact ND2-O 3.08Å |
| 2033 | L | 78.8 | Confident | 83.3 | Confident | 7 Ų | 7 | 37.7 Ų | 37.7 | 4% | 0.037 | 22% | 0.219 | C | C | . | . | trans | 41.7 | 61 | 177.5 | -60.1 | -175 | 0 | 0 | 0 | 115.6 | V1954 D1955 K1958 G2030 I2031 | V1954-L2033 HydrophobicContact CG2-CB 4Å; V1954-L2033 HydrophobicContact CG2-CD1 4.02Å; D1955-L2033 VanDerWaalsContact OD1-CD1 3.25Å; D1955-L2033 WeakPolarHBondContact OD1-CD1 3.18Å; K1958-L2033 HydrophobicContact CB-CD1 4.29Å; K1958-L2033 HydrophobicContact CB-CD2 4.47Å; K1958-L2033 HydrophobicContact CD-CD1 4.15Å; K1958-L2033 HydrophobicContact CD-CD2 3.98Å; K1958-L2033 HydrophobicContact CD-CG 4.49Å; K1958-L2033 HydrophobicContact CG-CD1 4.39Å; K1958-L2033 HydrophobicContact CG-CD2 3.89Å; G2030-L2033 WeakPolarHBondContact O-CD2 3.27Å; I2031-L2033 VanDerWaalsContact C-N 3.32Å; I2031-L2033 PolarHBondContact O-N 3.43Å | ||
| 2034 | P | 83.4 | Confident | 83.2 | Confident | 27 Ų | 27 | 38 Ų | 38 | 18% | 0.175 | 23% | 0.23 | C | C | . | . | trans | -64.1 | 142.1 | 176.6 | 31.3 | -36.8 | 0 | 0 | 0 | 111 | G2029 L2050 V2051 K2052 | G2029-P2034 WeakPolarHBondContact O-CD 3.2Å; P2034-L2050 HydrophobicContact CB-CD1 3.89Å; P2034-L2050 HydrophobicContact CB-CG 4.19Å; P2034-L2050 HydrophobicContact CG-CD1 4.37Å; P2034-V2051 WeakPolarHBondContact CA-O 3.36Å; P2034-K2052 HydrophobicContact CB-CG 4.33Å | ||
| 2035 | K | 89.8 | Confident | 83 | Confident | 7 Ų | 7 | 36.6 Ų | 36.6 | 3% | 0.03 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 125.5 | -169.8 | -59.1 | 121.4 | -179.5 | -173.1 | 0 | 110.6 | W1949 A1950 T1952 V1954 F2025 L2027 V2051 | W1949-K2035 HydrophobicContact CZ2-CB 4.06Å; W1949-K2035 HydrophobicContact CZ2-CD 4.22Å; W1949-K2035 HydrophobicContact CZ2-CG 4Å; W1949-K2035 PolarHBondContact O-NZ 3.37Å; A1950-K2035 PolarHBondContact O-NZ 3.36Å; T1952-K2035 PolarHBondContact O-NZ 2.91Å; V1954-K2035 VanDerWaalsContact CG2-CE 3.47Å; F2025-K2035 HydrophobicContact CD2-CB 4.47Å; L2027-K2035 HydrophobicContact CD2-CG 3.81Å; K2035-V2051 PolarHBondContact N-O 2.8Å; K2035-V2051 PolarHBondContact O-N 3.4Å |
| 2036 | V | 91.3 | Very high | 82.9 | Confident | 16 Ų | 16 | 40.3 Ų | 40.3 | 10% | 0.097 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 126.4 | 170.6 | 179.9 | 0 | 0 | 0 | 0 | 109.3 | F2025 R2026 V2028 R2048 Q2049 L2050 W2128 | F2025-V2036 CarbonylContact C-O 3.6Å; F2025-V2036 VanDerWaalsContact CA-O 3.23Å; F2025-V2036 WeakPolarHBondContact CA-O 3.31Å; F2025-V2036 WeakPolarHBondContact CB-O 3.23Å; R2026-V2036 HydrophobicContact CB-CB 4.42Å; R2026-V2036 PolarHBondContact N-O 2.84Å; R2026-V2036 PolarHBondContact O-N 3.33Å; V2028-V2036 HydrophobicContact CG2-CG2 3.56Å; V2036-R2048 HydrophobicContact CG1-CB 4.26Å; V2036-R2048 HydrophobicContact CG1-CG 4.31Å; V2036-Q2049 CarbonylContact C-O 3.33Å; V2036-Q2049 VanDerWaalsContact CA-O 3.3Å; V2036-Q2049 WeakPolarHBondContact CA-O 3.36Å; V2036-L2050 HydrophobicContact CG2-CD1 3.58Å; V2036-W2128 HydrophobicContact CG1-CE3 4.5Å; V2036-W2128 HydrophobicContact CG2-CE3 3.8Å; V2036-W2128 HydrophobicContact CG2-CH2 4.33Å; V2036-W2128 HydrophobicContact CG2-CZ3 3.62Å |
| 2037 | I | 92.3 | Very high | 83.1 | Confident | 4 Ų | 4 | 36.9 Ų | 36.9 | 2% | 0.021 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 156.1 | 175 | 64.3 | 176.6 | 0 | 0 | 0 | 110.4 | Y1946 W1949 L1972 F2021 F2025 R2048 Q2049 V2051 | Y1946-I2037 HydrophobicContact CE1-CD1 4.08Å; W1949-I2037 HydrophobicContact CZ2-CG2 4.46Å; L1972-I2037 HydrophobicContact CD1-CD1 4.28Å; L1972-I2037 HydrophobicContact CD2-CD1 4.38Å; F2021-I2037 HydrophobicContact CD1-CD1 3.91Å; F2021-I2037 HydrophobicContact CE1-CD1 3.81Å; F2025-I2037 HydrophobicContact CB-CG2 3.83Å; I2037-R2048 CarbonylContact O-C 3.55Å; I2037-R2048 WeakPolarHBondContact O-CA 3.31Å; I2037-Q2049 HydrophobicContact CG1-CB 4.03Å; I2037-Q2049 PolarHBondContact N-O 2.96Å; I2037-Q2049 PolarHBondContact O-N 3.47Å; I2037-V2051 HydrophobicContact CD1-CG2 4.02Å; I2037-V2051 HydrophobicContact CG1-CG2 4.34Å |
| 2038 | G | 91 | Very high | 83.5 | Confident | 6 Ų | 6 | 39.1 Ų | 39.1 | 6% | 0.062 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 128.6 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | S2022 | S2022-G2038 WeakPolarHBondContact CB-O 3.07Å; S2022-G2038 PolarHBondContact N-O 3.17Å |
| 2039 | C | 91.6 | Very high | 84.5 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 121.9 | 174.5 | -177.9 | 0 | 0 | 0 | 0 | 109.4 | L1997 F2021 Y2047 | L1997-C2039 HydrophobicContact CD1-CB 4.45Å; F2021-C2039 HydrophobicContact CD1-CB 4Å; F2021-C2039 HydrophobicContact CE1-CB 3.82Å; C2039-Y2047 PolarHBondContact N-O 3.32Å; C2039-Y2047 PolarHBondContact O-N 3.4Å |
| 2040 | L | 89.4 | Confident | 85.5 | Confident | 51 Ų | 51 | 35 Ų | 35 | 27% | 0.267 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 125.2 | 178 | -168.7 | 71.5 | 0 | 0 | 0 | 110.1 | G2019 G2020 G2044 K2045 | G2019-L2040 WeakPolarHBondContact CA-O 3.34Å; G2019-L2040 PolarHBondContact N-O 3.03Å; G2020-L2040 PolarHBondContact O-N 3.3Å; L2040-G2044 WeakPolarHBondContact CD1-O 3.5Å; L2040-K2045 CarbonylContact C-O 3.5Å; L2040-K2045 WeakPolarHBondContact CA-O 3.29Å |
| 2041 | G | 88.2 | Confident | 86.8 | Confident | 3 Ų | 3 | 33.2 Ų | 33.2 | 3% | 0.031 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 155 | 174 | 0 | 0 | 0 | 0 | 0 | 112.7 | R2017 D2043 G2044 K2045 | R2017-G2041 WeakPolarHBondContact O-CA 3.32Å; G2041-D2043 PolarHBondContact O-N 3.43Å; G2041-D2043 VanDerWaalsContact O-N 3.15Å; G2041-G2044 PolarHBondContact O-N 3.47Å; G2041-K2045 PolarHBondContact N-O 3.46Å |
| 2042 | T | 86.8 | Confident | 88 | Confident | 73 Ų | 73 | 30.8 Ų | 30.8 | 45% | 0.448 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -6.5 | 172.9 | 50.9 | 0 | 0 | 0 | 0 | 114.7 | R2017 G2044 | R2017-T2042 HydrophobicContact CB-CG2 3.88Å; R2017-T2042 PolarHBondContact N-OG1 3.43Å; R2017-T2042 PolarHBondContact O-N 3.14Å; T2042-G2044 VanDerWaalsContact C-N 3.31Å |
| 2043 | D | 85.6 | Confident | 88.5 | Confident | 59 Ų | 59 | 27.5 Ų | 27.5 | 32% | 0.316 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | 3.5 | 169 | 73.8 | -38.8 | 0 | 0 | 0 | 113 | G2041 K2045 | G2041-D2043 PolarHBondContact O-N 3.43Å; G2041-D2043 VanDerWaalsContact O-N 3.15Å; D2043-K2045 PolarHBondContact OD1-N 3.42Å; D2043-K2045 WeakPolarHBondContact OD2-CD 3.34Å; D2043-K2045 VanDerWaalsContact OD2-CG 3.3Å; D2043-K2045 WeakPolarHBondContact OD2-CG 3.45Å; D2043-K2045 IonicContact OD2-NZ 3.21Å; D2043-K2045 PolarHBondContact OD2-NZ 3.01Å |
| 2044 | G | 82.4 | Confident | 88.5 | Confident | 48 Ų | 48 | 33.6 Ų | 33.6 | 50% | 0.495 | 18% | 0.181 | S | C | . | . | S | Bend | trans | 96.1 | -12.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | L2040 G2041 T2042 | L2040-G2044 WeakPolarHBondContact CD1-O 3.5Å; G2041-G2044 PolarHBondContact O-N 3.47Å; T2042-G2044 VanDerWaalsContact C-N 3.31Å |
| 2045 | K | 86.1 | Confident | 88.1 | Confident | 23 Ų | 23 | 35 Ų | 35 | 10% | 0.1 | 19% | 0.187 | C | C | . | . | trans | -84.6 | 151.4 | -168 | -60.8 | -162.9 | -178.1 | 78.4 | 0 | 114.9 | N934 E936 L2040 G2041 D2043 Y2047 | N934-K2045 WeakPolarHBondContact O-CE 3.19Å; N934-K2045 PolarHBondContact O-NZ 2.97Å; E936-K2045 VanDerWaalsContact CD-CG 3.48Å; E936-K2045 HydrophobicContact CG-CB 4.32Å; E936-K2045 HydrophobicContact CG-CD 3.84Å; E936-K2045 HydrophobicContact CG-CG 3.88Å; E936-K2045 WeakPolarHBondContact OE1-CA 3.38Å; E936-K2045 VanDerWaalsContact OE1-CB 3.32Å; E936-K2045 WeakPolarHBondContact OE1-CB 3.4Å; E936-K2045 WeakPolarHBondContact OE2-CA 3.35Å; E936-K2045 WeakPolarHBondContact OE2-CG 3.28Å; L2040-K2045 CarbonylContact C-O 3.5Å; L2040-K2045 WeakPolarHBondContact CA-O 3.29Å; G2041-K2045 PolarHBondContact N-O 3.46Å; D2043-K2045 PolarHBondContact OD1-N 3.42Å; D2043-K2045 WeakPolarHBondContact OD2-CD 3.34Å; D2043-K2045 VanDerWaalsContact OD2-CG 3.3Å; D2043-K2045 WeakPolarHBondContact OD2-CG 3.45Å; D2043-K2045 IonicContact OD2-NZ 3.21Å; D2043-K2045 PolarHBondContact OD2-NZ 3.01Å; K2045-Y2047 HydrophobicContact CB-CD2 4.32Å; K2045-Y2047 HydrophobicContact CB-CE2 3.73Å | ||
| 2046 | L | 89.4 | Confident | 87.5 | Confident | 81 Ų | 81 | 36.3 Ų | 36.3 | 42% | 0.424 | 19% | 0.194 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 104.1 | 174.5 | -168 | 75.2 | 0 | 0 | 0 | 111.4 | E936 | E936-L2046 PolarHBondContact OE1-N 3.33Å |
| 2047 | Y | 91.5 | Very high | 87 | Confident | 53 Ų | 53 | 35.5 Ų | 35.5 | 21% | 0.208 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 116.5 | 176.5 | -67.5 | -86.9 | 0 | 0 | 0 | 111 | L1997 I2016 C2039 K2045 | L1997-Y2047 HydrophobicContact CD1-CD2 3.45Å; L1997-Y2047 VanDerWaalsContact CD1-CD2 3.45Å; L1997-Y2047 HydrophobicContact CD1-CE2 4.12Å; L1997-Y2047 HydrophobicContact CD1-CG 3.91Å; I2016-Y2047 HydrophobicContact CG2-CE2 4.12Å; C2039-Y2047 PolarHBondContact N-O 3.32Å; C2039-Y2047 PolarHBondContact O-N 3.4Å; K2045-Y2047 HydrophobicContact CB-CD2 4.32Å; K2045-Y2047 HydrophobicContact CB-CE2 3.73Å |
| 2048 | R | 92.5 | Very high | 86.3 | Confident | 66 Ų | 66 | 36 Ų | 36 | 25% | 0.249 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 147.5 | 171.4 | -71 | -179.4 | -107.2 | -117.4 | 2.1 | 112.5 | E939 V2036 I2037 W2128 E2130 | E939-R2048 IonicContact OE1-CZ 3.23Å; E939-R2048 VanDerWaalsContact OE1-CZ 3.24Å; E939-R2048 IonicContact OE1-NH1 2.73Å; E939-R2048 PolarHBondContact OE1-NH1 2.78Å; E939-R2048 IonicContact OE1-NH2 2.81Å; E939-R2048 PolarHBondContact OE1-NH2 3.47Å; V2036-R2048 HydrophobicContact CG1-CB 4.26Å; V2036-R2048 HydrophobicContact CG1-CG 4.31Å; I2037-R2048 CarbonylContact O-C 3.55Å; I2037-R2048 WeakPolarHBondContact O-CA 3.31Å; R2048-W2128 HydrophobicContact CB-CB 3.49Å; R2048-W2128 VanDerWaalsContact CB-CB 3.49Å; R2048-W2128 HydrophobicContact CB-CG 3.69Å; R2048-W2128 WeakPolarHBondContact O-CB 3.24Å; R2048-W2128 PolarHBondContact O-N 3.08Å; R2048-E2130 WeakPolarHBondContact CB-OE1 3.31Å; R2048-E2130 WeakPolarHBondContact CD-OE1 3.43Å; R2048-E2130 VanDerWaalsContact CG-OE1 3.29Å; R2048-E2130 WeakPolarHBondContact CG-OE1 3.42Å; R2048-E2130 IonicContact CZ-OE1 2.78Å; R2048-E2130 IonicContact CZ-OE2 2.74Å; R2048-E2130 VanDerWaalsContact CZ-OE2 3.27Å; R2048-E2130 VanDerWaalsContact NE-CD 3.29Å; R2048-E2130 IonicContact NE-OE1 3.52Å; R2048-E2130 PolarHBondContact NE-OE1 3.3Å; R2048-E2130 IonicContact NE-OE2 3.81Å; R2048-E2130 PolarHBondContact NE-OE2 3.01Å; R2048-E2130 IonicContact NH2-OE2 2.76Å; R2048-E2130 PolarHBondContact NH2-OE2 2.99Å |
| 2049 | Q | 93.9 | Very high | 85.6 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 135.6 | -179.3 | -62.7 | 175.6 | -25.3 | 0 | 0 | 109.6 | Y1946 T1999 V2036 I2037 V2125 I2126 | Y1946-Q2049 PolarHBondContact OH-OE1 3.17Å; Y1946-Q2049 VanDerWaalsContact OH-OE1 3.09Å; T1999-Q2049 HydrophobicContact CG2-CG 3.97Å; T1999-Q2049 PolarHBondContact OG1-NE2 3.48Å; V2036-Q2049 CarbonylContact C-O 3.33Å; V2036-Q2049 VanDerWaalsContact CA-O 3.3Å; V2036-Q2049 WeakPolarHBondContact CA-O 3.36Å; I2037-Q2049 HydrophobicContact CG1-CB 4.03Å; I2037-Q2049 PolarHBondContact N-O 2.96Å; I2037-Q2049 PolarHBondContact O-N 3.47Å; Q2049-V2125 HydrophobicContact CB-CG1 3.93Å; Q2049-V2125 HydrophobicContact CG-CG1 4.32Å; Q2049-I2126 WeakPolarHBondContact CA-O 3.41Å |
| 2050 | L | 91.8 | Very high | 85.1 | Confident | 27 Ų | 27 | 36.6 Ų | 36.6 | 14% | 0.141 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 117.7 | 172.9 | -174.2 | 75.8 | 0 | 0 | 0 | 109.3 | V2028 P2034 V2036 I2126 W2128 | V2028-L2050 HydrophobicContact CG2-CD1 3.69Å; P2034-L2050 HydrophobicContact CB-CD1 3.89Å; P2034-L2050 HydrophobicContact CB-CG 4.19Å; P2034-L2050 HydrophobicContact CG-CD1 4.37Å; V2036-L2050 HydrophobicContact CG2-CD1 3.58Å; L2050-I2126 HydrophobicContact CB-CB 4.27Å; L2050-I2126 PolarHBondContact N-O 3.45Å; L2050-I2126 PolarHBondContact O-N 3.48Å; L2050-W2128 HydrophobicContact CB-CE3 4.43Å; L2050-W2128 HydrophobicContact CD1-CZ3 4.37Å |
| 2051 | V | 92.1 | Very high | 84.8 | Confident | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.006 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 114.1 | 176.8 | -174.9 | 0 | 0 | 0 | 0 | 108.8 | Y1946 A1950 P2034 K2035 I2037 V2125 | Y1946-V2051 HydrophobicContact CD1-CG2 4.31Å; A1950-V2051 HydrophobicContact CB-CG1 3.74Å; P2034-V2051 WeakPolarHBondContact CA-O 3.36Å; K2035-V2051 PolarHBondContact N-O 2.8Å; K2035-V2051 PolarHBondContact O-N 3.4Å; I2037-V2051 HydrophobicContact CD1-CG2 4.02Å; I2037-V2051 HydrophobicContact CG1-CG2 4.34Å; V2051-V2125 HydrophobicContact CG2-CG2 4.41Å |
| 2052 | K | 88.2 | Confident | 84.4 | Confident | 19 Ų | 19 | 35.8 Ų | 35.8 | 8% | 0.083 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 138.6 | 171.9 | -82.3 | -171.2 | 171.8 | -169.1 | 0 | 109.4 | P2034 D2055 D2060 S2123 G2124 I2126 D2248 | P2034-K2052 HydrophobicContact CB-CG 4.33Å; K2052-D2055 HydrophobicContact CD-CB 4.31Å; K2052-D2055 VanDerWaalsContact CD-OD2 3.3Å; K2052-D2055 WeakPolarHBondContact CD-OD2 3.43Å; K2052-D2055 VanDerWaalsContact CE-OD2 3.27Å; K2052-D2055 WeakPolarHBondContact CE-OD2 3.33Å; K2052-D2055 IonicContact NZ-OD2 3.36Å; K2052-D2055 PolarHBondContact NZ-OD2 3.32Å; K2052-D2060 IonicContact NZ-OD2 3.53Å; K2052-D2060 PolarHBondContact NZ-OD2 2.95Å; K2052-S2123 WeakPolarHBondContact O-CA 3.44Å; K2052-G2124 PolarHBondContact N-O 3.03Å; K2052-G2124 PolarHBondContact O-N 3.16Å; K2052-I2126 HydrophobicContact CD-CD1 3.81Å; K2052-I2126 HydrophobicContact CG-CD1 4.21Å; K2052-D2248 IonicContact NZ-OD1 3.66Å; K2052-D2248 PolarHBondContact NZ-OD1 2.85Å |
| 2053 | G | 82.5 | Confident | 84.2 | Confident | 6 Ų | 6 | 32.4 Ų | 32.4 | 6% | 0.062 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 159.6 | 167.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | D2055 R2122 | G2053-D2055 PolarHBondContact O-N 3.24Å; G2053-R2122 CarbonylContact C-O 3.57Å; G2053-R2122 WeakPolarHBondContact CA-O 3.36Å |
| 2054 | K | 78.9 | Confident | 84.3 | Confident | 136 Ų | 136 | 29.8 Ų | 29.8 | 59% | 0.591 | 16% | 0.156 | S | C | * | . | S | Bend | trans | 58.1 | 24.5 | -175.5 | -53.1 | 177.4 | -177.8 | 177.7 | 0 | 113.9 | N2032 R2122 | N2032-K2054 PolarHBondContact ND2-O 2.88Å; N2032-K2054 VanDerWaalsContact ND2-O 3.08Å; K2054-R2122 PolarHBondContact N-O 3.12Å |
| 2055 | D | 76 | Confident | 84.3 | Confident | 57 Ų | 57 | 29.1 Ų | 29.1 | 31% | 0.305 | 14% | 0.14 | S | C | . | . | S | Bend | trans | -143.6 | 155.1 | -176.3 | -163.7 | 19.1 | 0 | 0 | 0 | 109.8 | K2052 G2053 P2057 R2122 | K2052-D2055 HydrophobicContact CD-CB 4.31Å; K2052-D2055 VanDerWaalsContact CD-OD2 3.3Å; K2052-D2055 WeakPolarHBondContact CD-OD2 3.43Å; K2052-D2055 VanDerWaalsContact CE-OD2 3.27Å; K2052-D2055 WeakPolarHBondContact CE-OD2 3.33Å; K2052-D2055 IonicContact NZ-OD2 3.36Å; K2052-D2055 PolarHBondContact NZ-OD2 3.32Å; G2053-D2055 PolarHBondContact O-N 3.24Å; D2055-P2057 WeakPolarHBondContact O-CD 3.47Å; D2055-R2122 PolarHBondContact N-O 2.88Å; D2055-R2122 CarbonylContact O-C 3.56Å; D2055-R2122 VanDerWaalsContact O-CA 3.23Å; D2055-R2122 WeakPolarHBondContact O-CA 3.45Å |
| 2056 | D | 76 | Confident | 84.2 | Confident | 33 Ų | 33 | 28.3 Ų | 28.3 | 18% | 0.176 | 14% | 0.137 | C | C | . | . | trans | -97.5 | 97.6 | -174.2 | -171.4 | -9.7 | 0 | 0 | 0 | 112.8 | R2058 | D2056-R2058 PolarHBondContact O-N 3.37Å; D2056-R2058 VanDerWaalsContact O-N 3.14Å; D2056-R2058 WeakPolarHBondContact OD1-CB 3.4Å; D2056-R2058 WeakPolarHBondContact OD1-CD 3.44Å; D2056-R2058 WeakPolarHBondContact OD1-CG 3.04Å; D2056-R2058 IonicContact OD1-CZ 3.3Å; D2056-R2058 PolarHBondContact OD1-N 3.38Å; D2056-R2058 IonicContact OD1-NE 2.67Å; D2056-R2058 PolarHBondContact OD1-NE 3.33Å; D2056-R2058 IonicContact OD1-NH2 3.37Å; D2056-R2058 IonicContact OD2-CZ 2.74Å; D2056-R2058 IonicContact OD2-NE 3.4Å; D2056-R2058 PolarHBondContact OD2-NE 3.16Å; D2056-R2058 IonicContact OD2-NH2 3.85Å; D2056-R2058 PolarHBondContact OD2-NH2 3.45Å | ||
| 2057 | P | 81.5 | Confident | 84.1 | Confident | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -70.3 | -8.7 | -178.3 | 32.6 | -39.4 | 0 | 0 | 0 | 113.5 | D2055 D2060 A2061 V2116 P2118 | D2055-P2057 WeakPolarHBondContact O-CD 3.47Å; P2057-D2060 PolarHBondContact O-N 3.26Å; P2057-A2061 WeakPolarHBondContact O-CB 3.45Å; P2057-A2061 PolarHBondContact O-N 3.22Å; P2057-V2116 HydrophobicContact CB-CG1 4.04Å; P2057-V2116 WeakPolarHBondContact O-CG1 3.2Å; P2057-P2118 HydrophobicContact CB-CG 4.48Å; P2057-P2118 HydrophobicContact CG-CB 3.93Å; P2057-P2118 HydrophobicContact CG-CG 4.15Å |
| 2058 | R | 77.2 | Confident | 83.9 | Confident | 14 Ų | 14 | 26.2 Ų | 26.2 | 5% | 0.053 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -75.9 | -29.3 | -173.7 | -52.3 | 169.1 | -46.4 | 112.4 | 12.2 | 111.4 | F1872 D2056 A2061 V2062 P2118 D2314 L2316 | F1872-R2058 VanDerWaalsContact CE2-CD 3.44Å; F1872-R2058 HydrophobicContact CE2-CG 4.26Å; F1872-R2058 HydrophobicContact CZ-CG 4.33Å; D2056-R2058 PolarHBondContact O-N 3.37Å; D2056-R2058 VanDerWaalsContact O-N 3.14Å; D2056-R2058 WeakPolarHBondContact OD1-CB 3.4Å; D2056-R2058 WeakPolarHBondContact OD1-CD 3.44Å; D2056-R2058 WeakPolarHBondContact OD1-CG 3.04Å; D2056-R2058 IonicContact OD1-CZ 3.3Å; D2056-R2058 PolarHBondContact OD1-N 3.38Å; D2056-R2058 IonicContact OD1-NE 2.67Å; D2056-R2058 PolarHBondContact OD1-NE 3.33Å; D2056-R2058 IonicContact OD1-NH2 3.37Å; D2056-R2058 IonicContact OD2-CZ 2.74Å; D2056-R2058 IonicContact OD2-NE 3.4Å; D2056-R2058 PolarHBondContact OD2-NE 3.16Å; D2056-R2058 IonicContact OD2-NH2 3.85Å; D2056-R2058 PolarHBondContact OD2-NH2 3.45Å; R2058-A2061 PolarHBondContact O-N 2.94Å; R2058-V2062 WeakPolarHBondContact O-CG2 3.31Å; R2058-V2062 PolarHBondContact O-N 3.25Å; R2058-P2118 HydrophobicContact CB-CG 4.36Å; R2058-P2118 HydrophobicContact CG-CB 3.86Å; R2058-P2118 HydrophobicContact CG-CG 3.67Å; R2058-D2314 IonicContact CZ-OD2 3.85Å; R2058-D2314 IonicContact NH1-OD1 2.87Å; R2058-D2314 IonicContact NH1-OD2 3.77Å; R2058-D2314 PolarHBondContact NH1-OD2 3.24Å; R2058-D2314 IonicContact NH2-OD2 3.73Å; R2058-L2316 VanDerWaalsContact NH1-CB 3.33Å; R2058-L2316 VanDerWaalsContact NH2-C 3.31Å; R2058-L2316 PolarHBondContact NH2-O 2.96Å |
| 2059 | Q | 75.7 | Confident | 83.4 | Confident | 17 Ų | 17 | 23.4 Ų | 23.4 | 8% | 0.079 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -61.4 | -53.4 | 170.2 | -60.5 | -171 | -44.6 | 0 | 0 | 109.8 | A2061 V2062 M2063 G2250 Y2317 | Q2059-A2061 VanDerWaalsContact C-N 3.29Å; Q2059-A2061 PolarHBondContact O-N 3.43Å; Q2059-V2062 PolarHBondContact O-N 3.03Å; Q2059-M2063 WeakPolarHBondContact O-CG 3.47Å; Q2059-M2063 PolarHBondContact O-N 3.06Å; Q2059-G2250 PolarHBondContact OE1-O 2.75Å; Q2059-Y2317 HydrophobicContact CB-CE2 4.42Å; Q2059-Y2317 HydrophobicContact CG-CD2 4.47Å; Q2059-Y2317 HydrophobicContact CG-CE2 3.74Å |
| 2060 | D | 82.3 | Confident | 83 | Confident | 2 Ų | 2 | 23.5 Ų | 23.5 | 1% | 0.011 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -54.9 | -43.3 | 174.2 | -72.6 | -27.2 | 0 | 0 | 0 | 111.8 | K2052 P2057 M2063 Q2064 V2116 L2249 G2250 | K2052-D2060 IonicContact NZ-OD2 3.53Å; K2052-D2060 PolarHBondContact NZ-OD2 2.95Å; P2057-D2060 PolarHBondContact O-N 3.26Å; D2060-M2063 PolarHBondContact O-N 3.41Å; D2060-Q2064 WeakPolarHBondContact O-CG 3.03Å; D2060-Q2064 PolarHBondContact O-N 3.44Å; D2060-V2116 HydrophobicContact CB-CG1 4.13Å; D2060-V2116 HydrophobicContact CB-CG2 4.14Å; D2060-L2249 WeakPolarHBondContact OD1-CA 3.35Å; D2060-L2249 WeakPolarHBondContact OD1-CB 2.96Å; D2060-L2249 PolarHBondContact OD1-N 3.45Å; D2060-G2250 PolarHBondContact OD1-N 3.49Å |
| 2061 | A | 83.2 | Confident | 82.7 | Confident | 18 Ų | 18 | 23.3 Ų | 23.3 | 15% | 0.149 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -66.2 | -43.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114 | P2057 R2058 Q2059 Q2064 Q2065 V2116 P2118 | P2057-A2061 WeakPolarHBondContact O-CB 3.45Å; P2057-A2061 PolarHBondContact O-N 3.22Å; R2058-A2061 PolarHBondContact O-N 2.94Å; Q2059-A2061 VanDerWaalsContact C-N 3.29Å; Q2059-A2061 PolarHBondContact O-N 3.43Å; A2061-Q2064 PolarHBondContact O-N 3.01Å; A2061-Q2065 PolarHBondContact O-N 3.33Å; A2061-V2116 HydrophobicContact CB-CB 4.01Å; A2061-V2116 HydrophobicContact CB-CG1 3.87Å; A2061-P2118 HydrophobicContact CB-CG 4.18Å |
| 2062 | V | 78.9 | Confident | 82.1 | Confident | 19 Ų | 19 | 26 Ų | 26 | 12% | 0.115 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -70.8 | -36.2 | 178.2 | 175 | 0 | 0 | 0 | 0 | 110.9 | R2058 Q2059 Q2064 Q2065 V2066 L2311 | R2058-V2062 WeakPolarHBondContact O-CG2 3.31Å; R2058-V2062 PolarHBondContact O-N 3.25Å; Q2059-V2062 PolarHBondContact O-N 3.03Å; V2062-Q2064 VanDerWaalsContact C-N 3.33Å; V2062-Q2064 PolarHBondContact O-N 3.18Å; V2062-Q2065 WeakPolarHBondContact O-CB 3.4Å; V2062-Q2065 PolarHBondContact O-N 2.94Å; V2062-Q2065 VanDerWaalsContact O-N 3.12Å; V2062-V2066 WeakPolarHBondContact O-CG2 3.41Å; V2062-V2066 PolarHBondContact O-N 2.87Å; V2062-L2311 HydrophobicContact CB-CD2 4.44Å; V2062-L2311 HydrophobicContact CG1-CD1 4.1Å; V2062-L2311 HydrophobicContact CG1-CD2 4.02Å; V2062-L2311 HydrophobicContact CG1-CG 4.27Å; V2062-L2311 HydrophobicContact CG2-CD2 4.14Å |
| 2063 | M | 82.3 | Confident | 81.6 | Confident | 1 Ų | 1 | 26 Ų | 26 | 1% | 0.005 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -64.9 | -38.9 | 174.5 | -61.6 | -66.1 | -84.6 | 0 | 0 | 111.1 | Q2059 D2060 V2066 F2067 V2225 L2227 L2249 A2252 F2253 | Q2059-M2063 WeakPolarHBondContact O-CG 3.47Å; Q2059-M2063 PolarHBondContact O-N 3.06Å; D2060-M2063 PolarHBondContact O-N 3.41Å; M2063-V2066 PolarHBondContact O-N 2.95Å; M2063-F2067 VanDerWaalsContact O-CD1 3.3Å; M2063-F2067 WeakPolarHBondContact O-CD1 3.28Å; M2063-F2067 VanDerWaalsContact O-CG 3.31Å; M2063-F2067 WeakPolarHBondContact O-CG 3.47Å; M2063-F2067 PolarHBondContact O-N 3.44Å; M2063-V2225 HydrophobicContact CE-CB 3.75Å; M2063-V2225 HydrophobicContact CE-CG1 3.96Å; M2063-V2225 HydrophobicContact CE-CG2 4.17Å; M2063-V2225 HydrophobicContact SD-CB 4.37Å; M2063-V2225 HydrophobicContact SD-CG1 3.91Å; M2063-L2227 HydrophobicContact CE-CD1 3.72Å; M2063-L2227 HydrophobicContact CE-CD2 3.76Å; M2063-L2227 HydrophobicContact CE-CG 3.5Å; M2063-L2249 HydrophobicContact CB-CB 4.08Å; M2063-L2249 HydrophobicContact CB-CD1 3.86Å; M2063-L2249 HydrophobicContact CG-CB 4.36Å; M2063-A2252 HydrophobicContact CE-CB 3.5Å; M2063-A2252 HydrophobicContact SD-CB 4Å; M2063-F2253 HydrophobicContact SD-CE2 4.26Å; M2063-F2253 HydrophobicContact SD-CZ 4.24Å |
| 2064 | Q | 87.4 | Confident | 81.3 | Confident | 5 Ų | 5 | 25.9 Ų | 25.9 | 2% | 0.023 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -64.8 | -36 | 169.6 | -73.1 | -66.1 | -27.7 | 0 | 0 | 113 | D2060 A2061 V2062 F2067 I2068 Y2114 V2116 L2249 | D2060-Q2064 WeakPolarHBondContact O-CG 3.03Å; D2060-Q2064 PolarHBondContact O-N 3.44Å; A2061-Q2064 PolarHBondContact O-N 3.01Å; V2062-Q2064 VanDerWaalsContact C-N 3.33Å; V2062-Q2064 PolarHBondContact O-N 3.18Å; Q2064-F2067 PolarHBondContact O-N 3.01Å; Q2064-I2068 VanDerWaalsContact O-CG1 3.27Å; Q2064-I2068 WeakPolarHBondContact O-CG1 3.12Å; Q2064-I2068 PolarHBondContact O-N 3.27Å; Q2064-Y2114 HydrophobicContact CG-CE2 4.29Å; Q2064-Y2114 WeakPolarHBondContact CG-O 3.07Å; Q2064-Y2114 VanDerWaalsContact NE2-CD1 3.33Å; Q2064-Y2114 PolarHBondContact OE1-O 3.02Å; Q2064-V2116 HydrophobicContact CG-CG2 4.18Å; Q2064-L2249 HydrophobicContact CG-CD1 4.33Å |
| 2065 | Q | 83.8 | Confident | 80.9 | Confident | 34 Ų | 34 | 23.1 Ų | 23.1 | 16% | 0.159 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -62.7 | -40.4 | 170.6 | -74.9 | -161.1 | -61.4 | 0 | 0 | 112.6 | P1828 A2061 V2062 F2067 I2068 A2069 | P1828-Q2065 PolarHBondContact O-NE2 3.09Å; A2061-Q2065 PolarHBondContact O-N 3.33Å; V2062-Q2065 WeakPolarHBondContact O-CB 3.4Å; V2062-Q2065 PolarHBondContact O-N 2.94Å; V2062-Q2065 VanDerWaalsContact O-N 3.12Å; Q2065-F2067 VanDerWaalsContact C-N 3.32Å; Q2065-F2067 PolarHBondContact O-N 3.15Å; Q2065-I2068 PolarHBondContact O-N 3.41Å; Q2065-A2069 WeakPolarHBondContact O-CB 3.29Å; Q2065-A2069 PolarHBondContact O-N 3.09Å |
| 2066 | V | 83.4 | Confident | 80.1 | Confident | 5 Ų | 5 | 22.8 Ų | 22.8 | 3% | 0.03 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -63.3 | -39.1 | 174.3 | 172.7 | 0 | 0 | 0 | 0 | 110.6 | V2062 M2063 A2069 A2070 V2225 L2307 L2308 | V2062-V2066 WeakPolarHBondContact O-CG2 3.41Å; V2062-V2066 PolarHBondContact O-N 2.87Å; M2063-V2066 PolarHBondContact O-N 2.95Å; V2066-A2069 PolarHBondContact O-N 3.48Å; V2066-A2070 WeakPolarHBondContact O-CB 3.13Å; V2066-A2070 PolarHBondContact O-N 3.24Å; V2066-V2225 HydrophobicContact CG1-CG2 4.34Å; V2066-L2307 HydrophobicContact CG2-CB 4.49Å; V2066-L2308 HydrophobicContact CG2-CD2 4.12Å |
| 2067 | F | 88 | Confident | 78.9 | Confident | 4 Ų | 4 | 22.9 Ų | 22.9 | 2% | 0.018 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -66.5 | -40.8 | 174.5 | -65.3 | -4.1 | 0 | 0 | 0 | 112.5 | M2063 Q2064 Q2065 A2070 N2071 I2111 T2113 V2221 L2227 L2249 | M2063-F2067 VanDerWaalsContact O-CD1 3.3Å; M2063-F2067 WeakPolarHBondContact O-CD1 3.28Å; M2063-F2067 VanDerWaalsContact O-CG 3.31Å; M2063-F2067 WeakPolarHBondContact O-CG 3.47Å; M2063-F2067 PolarHBondContact O-N 3.44Å; Q2064-F2067 PolarHBondContact O-N 3.01Å; Q2065-F2067 VanDerWaalsContact C-N 3.32Å; Q2065-F2067 PolarHBondContact O-N 3.15Å; F2067-A2070 PolarHBondContact O-N 3.48Å; F2067-N2071 WeakPolarHBondContact O-CB 3.27Å; F2067-N2071 VanDerWaalsContact O-CG 3.28Å; F2067-N2071 PolarHBondContact O-N 2.85Å; F2067-I2111 HydrophobicContact CB-CB 4.44Å; F2067-I2111 HydrophobicContact CB-CG2 4.04Å; F2067-I2111 HydrophobicContact CD1-CD1 3.89Å; F2067-I2111 HydrophobicContact CD2-CD1 4.49Å; F2067-I2111 HydrophobicContact CD2-CG2 3.57Å; F2067-I2111 HydrophobicContact CE1-CD1 4.16Å; F2067-I2111 HydrophobicContact CE2-CG2 4.12Å; F2067-I2111 HydrophobicContact CG-CD1 4.07Å; F2067-I2111 HydrophobicContact CG-CG2 3.89Å; F2067-T2113 HydrophobicContact CB-CG2 3.78Å; F2067-V2221 HydrophobicContact CD1-CG1 3.75Å; F2067-V2221 HydrophobicContact CE1-CG1 3.68Å; F2067-L2227 HydrophobicContact CE1-CD1 4.06Å; F2067-L2227 HydrophobicContact CZ-CD1 3.74Å; F2067-L2249 HydrophobicContact CD2-CD1 4.34Å; F2067-L2249 HydrophobicContact CE2-CD1 3.59Å; F2067-L2249 HydrophobicContact CE2-CD2 4.28Å; F2067-L2249 HydrophobicContact CZ-CD1 4.01Å; F2067-L2249 HydrophobicContact CZ-CD2 4.28Å |
| 2068 | I | 85.6 | Confident | 77.3 | Confident | 86 Ų | 86 | 23.6 Ų | 23.6 | 44% | 0.441 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -61.7 | -44.7 | 173.3 | -69 | 164.7 | 0 | 0 | 0 | 110.4 | Q2064 Q2065 N2071 C2072 T2113 | Q2064-I2068 VanDerWaalsContact O-CG1 3.27Å; Q2064-I2068 WeakPolarHBondContact O-CG1 3.12Å; Q2064-I2068 PolarHBondContact O-N 3.27Å; Q2065-I2068 PolarHBondContact O-N 3.41Å; I2068-N2071 WeakPolarHBondContact O-CB 3.11Å; I2068-N2071 PolarHBondContact O-N 2.97Å; I2068-C2072 PolarHBondContact O-N 3.45Å; I2068-C2072 PolarHBondContact O-SG 3.03Å; I2068-T2113 HydrophobicContact CG1-CG2 3.78Å |
| 2069 | A | 82.6 | Confident | 75.7 | Confident | 7 Ų | 7 | 28.5 Ų | 28.5 | 6% | 0.058 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -67.7 | -37.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q2065 V2066 C2072 L2073 V2303 L2307 | Q2065-A2069 WeakPolarHBondContact O-CB 3.29Å; Q2065-A2069 PolarHBondContact O-N 3.09Å; V2066-A2069 PolarHBondContact O-N 3.48Å; A2069-C2072 WeakPolarHBondContact O-CB 3.19Å; A2069-C2072 PolarHBondContact O-N 2.84Å; A2069-L2073 WeakPolarHBondContact O-CG 3.39Å; A2069-L2073 PolarHBondContact O-N 2.8Å; A2069-V2303 HydrophobicContact CB-CG1 4.27Å; A2069-L2307 HydrophobicContact CB-CD1 3.26Å |
| 2070 | A | 85.3 | Confident | 73.9 | Confident | 2 Ų | 2 | 30 Ų | 30 | 2% | 0.017 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -60.5 | -47 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | V2066 F2067 C2072 L2073 L2074 V2221 L2297 | V2066-A2070 WeakPolarHBondContact O-CB 3.13Å; V2066-A2070 PolarHBondContact O-N 3.24Å; F2067-A2070 PolarHBondContact O-N 3.48Å; A2070-C2072 VanDerWaalsContact C-N 3.3Å; A2070-C2072 PolarHBondContact O-N 3.34Å; A2070-L2073 PolarHBondContact O-N 2.94Å; A2070-L2073 VanDerWaalsContact O-N 3.15Å; A2070-L2074 WeakPolarHBondContact O-CB 3.13Å; A2070-L2074 WeakPolarHBondContact O-CD1 3.34Å; A2070-L2074 WeakPolarHBondContact O-CG 3.26Å; A2070-L2074 PolarHBondContact O-N 3.47Å; A2070-V2221 HydrophobicContact CB-CG2 4.3Å; A2070-L2297 HydrophobicContact CB-CD2 3.81Å |
| 2071 | N | 85.5 | Confident | 71.9 | Confident | 24 Ų | 24 | 32.3 Ų | 32.3 | 13% | 0.128 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -58.1 | -41.3 | 173.2 | -72.5 | -11.5 | 0 | 0 | 0 | 112 | F2067 I2068 T2075 R2110 I2111 | F2067-N2071 WeakPolarHBondContact O-CB 3.27Å; F2067-N2071 VanDerWaalsContact O-CG 3.28Å; F2067-N2071 PolarHBondContact O-N 2.85Å; I2068-N2071 WeakPolarHBondContact O-CB 3.11Å; I2068-N2071 PolarHBondContact O-N 2.97Å; N2071-T2075 VanDerWaalsContact O-CB 3.26Å; N2071-T2075 WeakPolarHBondContact O-CB 3.3Å; N2071-T2075 PolarHBondContact O-N 3.24Å; N2071-T2075 PolarHBondContact O-OG1 3.21Å; N2071-R2110 WeakPolarHBondContact OD1-CA 3.34Å; N2071-I2111 PolarHBondContact ND2-O 3.44Å; N2071-I2111 PolarHBondContact OD1-N 3.01Å; N2071-I2111 PolarHBondContact OD1-O 2.81Å |
| 2072 | C | 79.8 | Confident | 69.9 | Low | 57 Ų | 57 | 34 Ų | 34 | 39% | 0.385 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -63.5 | -40.6 | 175.2 | -68.3 | 0 | 0 | 0 | 0 | 112.6 | L1786 I2068 A2069 A2070 K2076 | L1786-C2072 HydrophobicContact CD2-CB 4.16Å; I2068-C2072 PolarHBondContact O-N 3.45Å; I2068-C2072 PolarHBondContact O-SG 3.03Å; A2069-C2072 WeakPolarHBondContact O-CB 3.19Å; A2069-C2072 PolarHBondContact O-N 2.84Å; A2070-C2072 VanDerWaalsContact C-N 3.3Å; A2070-C2072 PolarHBondContact O-N 3.34Å; C2072-K2076 VanDerWaalsContact O-CB 3.23Å; C2072-K2076 WeakPolarHBondContact O-CB 3.45Å; C2072-K2076 PolarHBondContact O-N 3.39Å |
| 2073 | L | 78.3 | Confident | 67.9 | Low | 19 Ų | 19 | 37 Ų | 37 | 10% | 0.099 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -64.6 | -50.2 | 175.8 | -75.1 | 170 | 0 | 0 | 0 | 111.7 | L1786 A2069 A2070 T2075 K2076 Y2077 L2297 V2303 I2304 | L1786-L2073 HydrophobicContact CD1-CD2 3.83Å; L1786-L2073 HydrophobicContact CD1-CG 4.44Å; A2069-L2073 WeakPolarHBondContact O-CG 3.39Å; A2069-L2073 PolarHBondContact O-N 2.8Å; A2070-L2073 PolarHBondContact O-N 2.94Å; A2070-L2073 VanDerWaalsContact O-N 3.15Å; L2073-T2075 PolarHBondContact O-N 2.82Å; L2073-K2076 PolarHBondContact O-N 2.91Å; L2073-K2076 VanDerWaalsContact O-N 3.07Å; L2073-Y2077 PolarHBondContact O-N 3.37Å; L2073-L2297 HydrophobicContact CD1-CD2 4.08Å; L2073-V2303 HydrophobicContact CD1-CB 4.37Å; L2073-V2303 HydrophobicContact CD2-CG2 4.29Å; L2073-I2304 HydrophobicContact CD1-CD1 4.16Å; L2073-I2304 HydrophobicContact CD1-CG1 4.08Å |
| 2074 | L | 75.8 | Confident | 65.7 | Low | 4 Ų | 4 | 41.9 Ų | 41.9 | 2% | 0.021 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -57.4 | -50.7 | 177.5 | -66.1 | 164.7 | 0 | 0 | 0 | 110.8 | A2070 K2076 Y2077 I2109 V2217 V2293 E2296 | A2070-L2074 WeakPolarHBondContact O-CB 3.13Å; A2070-L2074 WeakPolarHBondContact O-CD1 3.34Å; A2070-L2074 WeakPolarHBondContact O-CG 3.26Å; A2070-L2074 PolarHBondContact O-N 3.47Å; L2074-K2076 VanDerWaalsContact C-N 3.26Å; L2074-K2076 PolarHBondContact O-N 3.44Å; L2074-Y2077 PolarHBondContact O-N 3.48Å; L2074-I2109 HydrophobicContact CB-CB 4.42Å; L2074-I2109 HydrophobicContact CD1-CB 4.41Å; L2074-I2109 HydrophobicContact CD1-CG2 3.9Å; L2074-I2109 HydrophobicContact CD2-CB 4.44Å; L2074-I2109 HydrophobicContact CD2-CD1 4.28Å; L2074-I2109 HydrophobicContact CD2-CG2 4.09Å; L2074-I2109 HydrophobicContact CG-CG2 4.46Å; L2074-V2217 HydrophobicContact CD1-CG1 3.75Å; L2074-V2293 HydrophobicContact CD2-CB 4.39Å; L2074-V2293 HydrophobicContact CD2-CG2 4.03Å; L2074-E2296 HydrophobicContact CD2-CB 4.35Å |
| 2075 | T | 70.7 | Confident | 63.2 | Low | 77 Ų | 77 | 43.4 Ų | 43.4 | 47% | 0.472 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -59.5 | -36.3 | 175.2 | -51.8 | 0 | 0 | 0 | 0 | 111.9 | N2071 L2073 K2079 | N2071-T2075 VanDerWaalsContact O-CB 3.26Å; N2071-T2075 WeakPolarHBondContact O-CB 3.3Å; N2071-T2075 PolarHBondContact O-N 3.24Å; N2071-T2075 PolarHBondContact O-OG1 3.21Å; L2073-T2075 PolarHBondContact O-N 2.82Å; T2075-K2079 WeakPolarHBondContact O-CG 3.44Å; T2075-K2079 PolarHBondContact O-N 3.03Å |
| 2076 | K | 59.4 | Low | 60.7 | Low | 50 Ų | 50 | 46.5 Ų | 46.5 | 22% | 0.217 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -75.1 | -25.6 | -178.3 | -155.1 | -173.9 | -174.6 | -162.2 | 0 | 113.3 | D1783 L1786 C2072 L2073 L2074 G2078 K2079 S2080 | D1783-K2076 WeakPolarHBondContact O-CE 3.37Å; D1783-K2076 PolarHBondContact O-NZ 3.23Å; L1786-K2076 HydrophobicContact CD1-CB 4.41Å; L1786-K2076 HydrophobicContact CD1-CD 3.84Å; L1786-K2076 HydrophobicContact CG-CD 4.35Å; C2072-K2076 VanDerWaalsContact O-CB 3.23Å; C2072-K2076 WeakPolarHBondContact O-CB 3.45Å; C2072-K2076 PolarHBondContact O-N 3.39Å; L2073-K2076 PolarHBondContact O-N 2.91Å; L2073-K2076 VanDerWaalsContact O-N 3.07Å; L2074-K2076 VanDerWaalsContact C-N 3.26Å; L2074-K2076 PolarHBondContact O-N 3.44Å; K2076-G2078 VanDerWaalsContact C-N 3.32Å; K2076-G2078 PolarHBondContact O-N 2.93Å; K2076-K2079 HydrophobicContact CG-CB 4.11Å; K2076-K2079 HydrophobicContact CG-CG 4.27Å; K2076-K2079 WeakPolarHBondContact O-CA 3.11Å; K2076-K2079 VanDerWaalsContact O-CB 3.3Å; K2076-K2079 WeakPolarHBondContact O-CB 3.14Å; K2076-K2079 PolarHBondContact O-N 3.32Å; K2076-S2080 PolarHBondContact O-N 2.81Å; K2076-S2080 PolarHBondContact O-OG 3.32Å |
| 2077 | Y | 50.2 | Low | 58.2 | Low | 35 Ų | 35 | 50.7 Ų | 50.7 | 14% | 0.137 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -63.2 | -40.9 | 173.4 | -169.6 | -114.7 | 0 | 0 | 0 | 111.8 | L2073 L2074 K2079 N2081 E2296 | L2073-Y2077 PolarHBondContact O-N 3.37Å; L2074-Y2077 PolarHBondContact O-N 3.48Å; Y2077-K2079 PolarHBondContact O-N 2.77Å; Y2077-N2081 HydrophobicContact CD2-CB 4.15Å; Y2077-N2081 HydrophobicContact CE2-CB 4.19Å; Y2077-E2296 HydrophobicContact CD1-CG 3.89Å; Y2077-E2296 HydrophobicContact CD2-CG 4.12Å; Y2077-E2296 WeakPolarHBondContact CD2-OE2 3.45Å; Y2077-E2296 HydrophobicContact CE1-CG 4.45Å; Y2077-E2296 VanDerWaalsContact CE2-OE2 3.26Å; Y2077-E2296 WeakPolarHBondContact CE2-OE2 3.25Å; Y2077-E2296 VanDerWaalsContact CG-CD 3.44Å; Y2077-E2296 HydrophobicContact CG-CG 3.68Å |
| 2078 | G | 48.3 | Very low | 55.5 | Low | 15 Ų | 15 | 53.2 Ų | 53.2 | 16% | 0.155 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -61.5 | -27.8 | 167.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y1501 K2076 | Y1501-G2078 WeakPolarHBondContact CA-O 3.39Å; Y1501-G2078 VanDerWaalsContact CD1-C 3.44Å; Y1501-G2078 WeakPolarHBondContact CD1-O 3.31Å; Y1501-G2078 WeakPolarHBondContact CE1-O 3.37Å; K2076-G2078 VanDerWaalsContact C-N 3.32Å; K2076-G2078 PolarHBondContact O-N 2.93Å |
| 2079 | K | 42.7 | Very low | 53 | Low | 117 Ų | 117 | 52.6 Ų | 52.6 | 51% | 0.509 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -72.1 | -55 | 177.7 | -55.9 | -96.5 | 144.4 | -141.2 | 0 | 113.3 | Y1501 T2075 K2076 Y2077 | Y1501-K2079 HydrophobicContact CE1-CB 3.93Å; Y1501-K2079 HydrophobicContact CE1-CD 3.46Å; Y1501-K2079 VanDerWaalsContact CE1-CD 3.46Å; Y1501-K2079 HydrophobicContact CE1-CG 3.68Å; Y1501-K2079 WeakPolarHBondContact OH-CD 3.28Å; Y1501-K2079 PolarHBondContact OH-NZ 3.45Å; T2075-K2079 WeakPolarHBondContact O-CG 3.44Å; T2075-K2079 PolarHBondContact O-N 3.03Å; K2076-K2079 HydrophobicContact CG-CB 4.11Å; K2076-K2079 HydrophobicContact CG-CG 4.27Å; K2076-K2079 WeakPolarHBondContact O-CA 3.11Å; K2076-K2079 VanDerWaalsContact O-CB 3.3Å; K2076-K2079 WeakPolarHBondContact O-CB 3.14Å; K2076-K2079 PolarHBondContact O-N 3.32Å; Y2077-K2079 PolarHBondContact O-N 2.77Å |
| 2080 | S | 38.5 | Very low | 51 | Low | 48 Ų | 48 | 56.3 Ų | 56.3 | 34% | 0.336 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -120.1 | -28.9 | -153 | 64.8 | 0 | 0 | 0 | 0 | 117.6 | K2076 | K2076-S2080 PolarHBondContact O-N 2.81Å; K2076-S2080 PolarHBondContact O-OG 3.32Å |
| 2081 | N | 40.8 | Very low | 48.9 | Very low | 52 Ų | 52 | 58 Ų | 58 | 28% | 0.278 | 33% | 0.328 | S | S | . | . | trans | -118.3 | 80.1 | -155.3 | -91.1 | 66.2 | 0 | 0 | 0 | 114.7 | Y2077 D2084 | Y2077-N2081 HydrophobicContact CD2-CB 4.15Å; Y2077-N2081 HydrophobicContact CE2-CB 4.19Å; N2081-D2084 PolarHBondContact ND2-OD2 3.2Å | ||
| 2082 | K | 41.3 | Very low | 46.7 | Very low | 52 Ų | 52 | 61.6 Ų | 61.6 | 23% | 0.226 | 35% | 0.345 | C | S | . | . | S | Bend | trans | -103.6 | -0.1 | 159.2 | -74.3 | 179.9 | -179.1 | 178.2 | 0 | 113.8 | Q1500 I1558 Q1559 | Q1500-K2082 PolarHBondContact O-NZ 2.92Å; I1558-K2082 VanDerWaalsContact O-CB 3.3Å; I1558-K2082 WeakPolarHBondContact O-CB 3.42Å; Q1559-K2082 WeakPolarHBondContact O-CD 3.12Å; Q1559-K2082 PolarHBondContact O-NZ 3.02Å |
| 2083 | I | 36.5 | Very low | 45.1 | Very low | 84 Ų | 84 | 59.9 Ų | 59.9 | 43% | 0.431 | 33% | 0.333 | S | S | . | . | S | Bend | trans | -88 | -41.4 | -175.1 | -54.5 | 173.9 | 0 | 0 | 0 | 112.3 | I1558 L2085 | I1558-I2083 HydrophobicContact CG1-CD1 4.49Å; I1558-I2083 HydrophobicContact CG2-CD1 4.11Å; I1558-I2083 HydrophobicContact CG2-CG1 4.24Å; I2083-L2085 PolarHBondContact O-N 3.49Å |
| 2084 | D | 36.4 | Very low | 43.4 | Very low | 102 Ų | 102 | 59.3 Ų | 59.3 | 55% | 0.545 | 33% | 0.33 | S | S | . | . | trans | -96.9 | 30.9 | -164.7 | -55.9 | -24.3 | 0 | 0 | 0 | 114.1 | N2081 | N2081-D2084 PolarHBondContact ND2-OD2 3.2Š| ||
| 2085 | L | 34.5 | Very low | 42.1 | Very low | 37 Ų | 37 | 61 Ų | 61 | 19% | 0.194 | 34% | 0.338 | C | S | . | . | trans | -89.4 | 120.5 | 176.5 | -84.8 | 168.4 | 0 | 0 | 0 | 110.6 | I2083 V2093 L2096 | I2083-L2085 PolarHBondContact O-N 3.49Å; L2085-V2093 HydrophobicContact CD1-CG1 4.46Å; L2085-L2096 HydrophobicContact CD2-CD1 4.15Å | ||
| 2086 | P | 30.4 | Very low | 41 | Very low | 99 Ų | 99 | 59 Ų | 59 | 64% | 0.643 | 32% | 0.324 | S | S | * | . | trans | -63.9 | 142.8 | -178.2 | 26.4 | -34.2 | 0 | 0 | 0 | 111.6 | S2088 | P2086-S2088 VanDerWaalsContact C-N 3.28Å; P2086-S2088 PolarHBondContact O-N 3.29Å | ||
| 2087 | H | 32.7 | Very low | 40.5 | Very low | 93 Ų | 93 | 57.7 Ų | 57.7 | 43% | 0.431 | 32% | 0.319 | S | S | . | . | trans | -70.3 | 65.4 | -165 | -52.9 | -79.9 | 0 | 0 | 0 | 114.9 | E1607 Y1611 | E1607-H2087 IonicContact OE1-CE1 3.71Å; E1607-H2087 PolarHBondContact OE1-CE1 2.97Å; E1607-H2087 IonicContact OE1-ND1 2.69Å; Y1611-H2087 AromaticContact CE1-CD2 3.69Å; Y1611-H2087 AromaticContact CE1-NE2 3.72Å; Y1611-H2087 AromaticContact CZ-CD2 3.85Å; Y1611-H2087 PolarHBondContact OH-CD2 3.21Å | ||
| 2088 | S | 29.5 | Very low | 40.4 | Very low | 57 Ų | 57 | 57 Ų | 57 | 40% | 0.399 | 32% | 0.316 | S | S | . | . | trans | -98.9 | 115.4 | 169.9 | 63.3 | 0 | 0 | 0 | 0 | 111.3 | P2086 Q2092 | P2086-S2088 VanDerWaalsContact C-N 3.28Å; P2086-S2088 PolarHBondContact O-N 3.29Å; S2088-Q2092 PolarHBondContact OG-OE1 2.98Å | ||
| 2089 | S | 35.1 | Very low | 40.5 | Very low | 74 Ų | 74 | 57.6 Ų | 57.6 | 52% | 0.517 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 20.4 | 114.7 | 167.3 | 60.9 | 0 | 0 | 0 | 0 | 117.4 | S2091 Q2092 | S2089-S2091 CarbonylContact O-C 3.56Å; S2089-S2091 PolarHBondContact O-N 3.49Å; S2089-Q2092 PolarHBondContact O-N 3.42Å |
| 2090 | T | 39.9 | Very low | 40.8 | Very low | 84 Ų | 84 | 52.2 Ų | 52.2 | 52% | 0.515 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -40.3 | -35.7 | -172.1 | -32.1 | 0 | 0 | 0 | 0 | 116.1 | Q2092 V2093 N2094 | T2090-Q2092 PolarHBondContact O-N 3.48Å; T2090-V2093 PolarHBondContact O-N 3.5Å; T2090-N2094 PolarHBondContact O-N 2.87Å; T2090-N2094 VanDerWaalsContact O-N 3.12Å |
| 2091 | S | 40.4 | Very low | 41.2 | Very low | 37 Ų | 37 | 50 Ų | 50 | 26% | 0.259 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -45.8 | -50.8 | 169.4 | -44.4 | 0 | 0 | 0 | 0 | 114 | N1297 S2089 N2094 I2095 | N1297-S2091 WeakPolarHBondContact ND2-CB 3.25Å; N1297-S2091 PolarHBondContact ND2-OG 3.41Å; S2089-S2091 CarbonylContact O-C 3.56Å; S2089-S2091 PolarHBondContact O-N 3.49Å; S2091-N2094 PolarHBondContact O-N 3.47Å; S2091-I2095 WeakPolarHBondContact O-CG1 3.38Å; S2091-I2095 PolarHBondContact O-N 2.99Å; S2091-I2095 VanDerWaalsContact O-N 3.12Å |
| 2092 | Q | 40.7 | Very low | 41.8 | Very low | 100 Ų | 100 | 49 Ų | 49 | 47% | 0.467 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -71 | -43.1 | -175.4 | -70.2 | -176 | -14.4 | 0 | 0 | 111.5 | S2088 S2089 T2090 N2094 I2095 L2096 | S2088-Q2092 PolarHBondContact OG-OE1 2.98Å; S2089-Q2092 PolarHBondContact O-N 3.42Å; T2090-Q2092 PolarHBondContact O-N 3.48Å; Q2092-N2094 PolarHBondContact O-N 2.83Å; Q2092-I2095 PolarHBondContact O-N 3.38Å; Q2092-I2095 VanDerWaalsContact O-N 3.07Å; Q2092-L2096 WeakPolarHBondContact O-CG 3.31Å; Q2092-L2096 PolarHBondContact O-N 3.29Å |
| 2093 | V | 44.4 | Very low | 42.4 | Very low | 22 Ų | 22 | 46.6 Ų | 46.6 | 13% | 0.133 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -57.2 | -40.6 | 175.8 | 178.2 | 0 | 0 | 0 | 0 | 110.6 | L2085 T2090 L2096 K2097 | L2085-V2093 HydrophobicContact CD1-CG1 4.46Å; T2090-V2093 PolarHBondContact O-N 3.5Å; V2093-L2096 PolarHBondContact O-N 2.74Å; V2093-K2097 HydrophobicContact CG1-CD 3.88Å; V2093-K2097 VanDerWaalsContact CG1-CE 3.43Å; V2093-K2097 HydrophobicContact CG1-CG 4.47Å; V2093-K2097 VanDerWaalsContact O-CB 3.31Å; V2093-K2097 WeakPolarHBondContact O-CB 3.49Å; V2093-K2097 VanDerWaalsContact O-CG 3.27Å; V2093-K2097 WeakPolarHBondContact O-CG 3.41Å; V2093-K2097 PolarHBondContact O-N 2.87Å |
| 2094 | N | 44.4 | Very low | 43 | Very low | 7 Ų | 7 | 43.9 Ų | 43.9 | 4% | 0.037 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -72.3 | -30.8 | 176.6 | -71.6 | 12.8 | 0 | 0 | 0 | 113.3 | L1295 S1561 T2090 S2091 Q2092 K2097 Y2098 | L1295-N2094 VanDerWaalsContact CD2-C 3.43Å; L1295-N2094 HydrophobicContact CD2-CB 3.98Å; L1295-N2094 PolarHBondContact O-ND2 3.34Å; S1561-N2094 PolarHBondContact OG-OD1 2.79Å; S1561-N2094 VanDerWaalsContact OG-OD1 3.1Å; T2090-N2094 PolarHBondContact O-N 2.87Å; T2090-N2094 VanDerWaalsContact O-N 3.12Å; S2091-N2094 PolarHBondContact O-N 3.47Å; Q2092-N2094 PolarHBondContact O-N 2.83Å; N2094-K2097 CarbonylContact O-C 3.55Å; N2094-K2097 VanDerWaalsContact O-C 3.26Å; N2094-K2097 PolarHBondContact O-N 2.94Å; N2094-Y2098 PolarHBondContact O-N 3.23Å |
| 2095 | I | 47.9 | Very low | 43.6 | Very low | 39 Ų | 39 | 42 Ų | 42 | 20% | 0.2 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -64.5 | -44.5 | 171.2 | -66.3 | 162.6 | 0 | 0 | 0 | 110.3 | I1255 L1295 S2091 Q2092 K2097 Y2098 R2099 | I1255-I2095 HydrophobicContact CD1-CG1 4.44Å; I1255-I2095 HydrophobicContact CD1-CG2 4.2Å; L1295-I2095 HydrophobicContact CD1-CD1 4.18Å; L1295-I2095 HydrophobicContact CD1-CG1 3.64Å; L1295-I2095 HydrophobicContact CD2-CB 4.15Å; L1295-I2095 HydrophobicContact CD2-CG1 3.49Å; L1295-I2095 VanDerWaalsContact CD2-CG1 3.49Å; L1295-I2095 HydrophobicContact CG-CG1 4.2Å; S2091-I2095 WeakPolarHBondContact O-CG1 3.38Å; S2091-I2095 PolarHBondContact O-N 2.99Å; S2091-I2095 VanDerWaalsContact O-N 3.12Å; Q2092-I2095 PolarHBondContact O-N 3.38Å; Q2092-I2095 VanDerWaalsContact O-N 3.07Å; I2095-K2097 VanDerWaalsContact C-N 3.27Å; I2095-K2097 PolarHBondContact O-N 3.2Å; I2095-Y2098 PolarHBondContact O-N 3.06Å; I2095-Y2098 VanDerWaalsContact O-N 3.15Å; I2095-R2099 HydrophobicContact CG2-CG 4.4Å; I2095-R2099 WeakPolarHBondContact O-CB 3.44Å; I2095-R2099 WeakPolarHBondContact O-CG 3.24Å; I2095-R2099 PolarHBondContact O-N 2.78Å |
| 2096 | L | 47.1 | Very low | 44.4 | Very low | 35 Ų | 35 | 45 Ų | 45 | 18% | 0.183 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -67 | -30.7 | 174.9 | -59.4 | -173.4 | 0 | 0 | 0 | 112.1 | Q1503 L2085 Q2092 V2093 Y2098 A2100 R2295 | Q1503-L2096 PolarHBondContact NE2-O 2.79Å; Q1503-L2096 VanDerWaalsContact NE2-O 3.15Å; Q1503-L2096 PolarHBondContact OE1-O 3.25Å; L2085-L2096 HydrophobicContact CD2-CD1 4.15Å; Q2092-L2096 WeakPolarHBondContact O-CG 3.31Å; Q2092-L2096 PolarHBondContact O-N 3.29Å; V2093-L2096 PolarHBondContact O-N 2.74Å; L2096-Y2098 VanDerWaalsContact C-N 3.28Å; L2096-Y2098 PolarHBondContact O-N 3.36Å; L2096-A2100 PolarHBondContact O-N 2.92Å; L2096-R2295 VanDerWaalsContact CD2-NH2 3.35Å |
| 2097 | K | 48.4 | Very low | 45.3 | Very low | 23 Ų | 23 | 46.9 Ų | 46.9 | 10% | 0.1 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -83.4 | 13.5 | 171.3 | -66.4 | 176.4 | -171.1 | 173.6 | 0 | 115 | Q1503 S1561 V2093 N2094 I2095 | Q1503-K2097 WeakPolarHBondContact CB-O 3.48Å; Q1503-K2097 PolarHBondContact OE1-O 3.38Å; Q1503-K2097 VanDerWaalsContact OE1-O 3.12Å; S1561-K2097 PolarHBondContact OG-NZ 3.29Å; V2093-K2097 HydrophobicContact CG1-CD 3.88Å; V2093-K2097 VanDerWaalsContact CG1-CE 3.43Å; V2093-K2097 HydrophobicContact CG1-CG 4.47Å; V2093-K2097 VanDerWaalsContact O-CB 3.31Å; V2093-K2097 WeakPolarHBondContact O-CB 3.49Å; V2093-K2097 VanDerWaalsContact O-CG 3.27Å; V2093-K2097 WeakPolarHBondContact O-CG 3.41Å; V2093-K2097 PolarHBondContact O-N 2.87Å; N2094-K2097 CarbonylContact O-C 3.55Å; N2094-K2097 VanDerWaalsContact O-C 3.26Å; N2094-K2097 PolarHBondContact O-N 2.94Å; I2095-K2097 VanDerWaalsContact C-N 3.27Å; I2095-K2097 PolarHBondContact O-N 3.2Å |
| 2098 | Y | 48.7 | Very low | 46.8 | Very low | 19 Ų | 19 | 42.9 Ų | 42.9 | 8% | 0.075 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -119.8 | -33.9 | 158.4 | -101.1 | -90 | 0 | 0 | 0 | 112.1 | L1251 L1294 L1295 N2094 I2095 L2096 A2100 N2101 W2102 | L1251-Y2098 HydrophobicContact CB-CD1 4.17Å; L1251-Y2098 HydrophobicContact CB-CG 4.43Å; L1251-Y2098 HydrophobicContact CD2-CD1 4.29Å; L1251-Y2098 HydrophobicContact CD2-CD2 4.12Å; L1251-Y2098 HydrophobicContact CD2-CG 3.71Å; L1294-Y2098 WeakPolarHBondContact O-CE2 3.26Å; L1294-Y2098 PolarHBondContact O-OH 2.88Å; L1295-Y2098 HydrophobicContact CD2-CD2 4.38Å; N2094-Y2098 PolarHBondContact O-N 3.23Å; I2095-Y2098 PolarHBondContact O-N 3.06Å; I2095-Y2098 VanDerWaalsContact O-N 3.15Å; L2096-Y2098 VanDerWaalsContact C-N 3.28Å; L2096-Y2098 PolarHBondContact O-N 3.36Å; Y2098-A2100 PolarHBondContact O-N 3.25Å; Y2098-N2101 VanDerWaalsContact O-CB 3.23Å; Y2098-N2101 WeakPolarHBondContact O-CB 3.43Å; Y2098-N2101 PolarHBondContact O-N 3.44Å; Y2098-W2102 PolarHBondContact O-N 3.44Å |
| 2099 | R | 51.5 | Low | 49 | Very low | 29 Ų | 29 | 40.7 Ų | 40.7 | 11% | 0.109 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -56.1 | -50.3 | -179.7 | -87.6 | -177.5 | 154.4 | 152.5 | -10 | 112.2 | M1252 I2095 N2101 L2103 P2288 E2291 | M1252-R2099 HydrophobicContact CE-CG 4.01Å; M1252-R2099 HydrophobicContact SD-CG 3.61Å; I2095-R2099 HydrophobicContact CG2-CG 4.4Å; I2095-R2099 WeakPolarHBondContact O-CB 3.44Å; I2095-R2099 WeakPolarHBondContact O-CG 3.24Å; I2095-R2099 PolarHBondContact O-N 2.78Å; R2099-N2101 PolarHBondContact O-N 3.48Å; R2099-L2103 VanDerWaalsContact O-CB 3.29Å; R2099-L2103 WeakPolarHBondContact O-CB 3.49Å; R2099-L2103 WeakPolarHBondContact O-CD1 3.44Å; R2099-L2103 WeakPolarHBondContact O-CG 3.49Å; R2099-L2103 PolarHBondContact O-N 3.24Å; R2099-P2288 HydrophobicContact CG-CB 4.28Å; R2099-E2291 IonicContact CZ-OE1 2.67Å; R2099-E2291 VanDerWaalsContact CZ-OE1 3.3Å; R2099-E2291 IonicContact CZ-OE2 3.79Å; R2099-E2291 IonicContact NE-OE2 2.93Å; R2099-E2291 IonicContact NH1-OE1 2.91Å; R2099-E2291 PolarHBondContact NH1-OE1 2.93Å; R2099-E2291 IonicContact NH1-OE2 3.27Å; R2099-E2291 PolarHBondContact NH1-OE2 2.73Å; R2099-E2291 VanDerWaalsContact NH2-CD 3.33Å; R2099-E2291 IonicContact NH2-OE1 2.7Å; R2099-E2291 PolarHBondContact NH2-OE1 2.94Å; R2099-E2291 IonicContact NH2-OE2 2.72Å; R2099-E2291 PolarHBondContact NH2-OE2 3.41Å |
| 2100 | A | 47.5 | Very low | 51.3 | Low | 4 Ų | 4 | 40.8 Ų | 40.8 | 3% | 0.033 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -65.9 | -4.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113 | L2096 Y2098 L2103 D2104 | L2096-A2100 PolarHBondContact O-N 2.92Å; Y2098-A2100 PolarHBondContact O-N 3.25Å; A2100-L2103 CarbonylContact O-C 3.44Å; A2100-L2103 WeakPolarHBondContact O-CB 3.12Å; A2100-D2104 WeakPolarHBondContact O-CB 3.49Å; A2100-D2104 PolarHBondContact O-N 3.24Å |
| 2101 | N | 47.5 | Very low | 53.6 | Low | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.005 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -98.7 | -45.3 | -172.2 | -135.9 | 73.4 | 0 | 0 | 0 | 118.2 | N1502 Q1503 F1504 Y2098 R2099 L2103 D2104 M2105 | N1502-N2101 WeakPolarHBondContact CA-OD1 3.32Å; N1502-N2101 PolarHBondContact O-OD1 2.78Å; Q1503-N2101 WeakPolarHBondContact CA-OD1 3.31Å; Q1503-N2101 HydrophobicContact CB-CB 3.93Å; Q1503-N2101 WeakPolarHBondContact CB-OD1 3.45Å; Q1503-N2101 HydrophobicContact CG-CB 4.21Å; Q1503-N2101 WeakPolarHBondContact CG-OD1 3.36Å; Q1503-N2101 PolarHBondContact N-OD1 3.44Å; Q1503-N2101 VanDerWaalsContact OE1-N 3.17Å; F1504-N2101 VanDerWaalsContact CB-ND2 3.32Å; F1504-N2101 WeakPolarHBondContact CB-ND2 3.43Å; F1504-N2101 WeakPolarHBondContact CD2-ND2 3.19Å; F1504-N2101 PolarHBondContact N-ND2 2.75Å; F1504-N2101 PolarHBondContact N-OD1 2.83Å; Y2098-N2101 VanDerWaalsContact O-CB 3.23Å; Y2098-N2101 WeakPolarHBondContact O-CB 3.43Å; Y2098-N2101 PolarHBondContact O-N 3.44Å; R2099-N2101 PolarHBondContact O-N 3.48Å; N2101-L2103 PolarHBondContact O-N 2.8Å; N2101-D2104 PolarHBondContact O-N 3.34Å; N2101-M2105 PolarHBondContact O-N 3.24Å |
| 2102 | W | 54 | Low | 55.8 | Low | 32 Ų | 32 | 38.1 Ų | 38.1 | 12% | 0.121 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -56.3 | -24.9 | 159.7 | 165.9 | 75.4 | 0 | 0 | 0 | 110.3 | M1252 Y2098 M2209 I2212 R2213 G2285 P2288 A2289 | M1252-W2102 HydrophobicContact CG-CD2 4.49Å; M1252-W2102 HydrophobicContact CG-CE3 4.28Å; Y2098-W2102 PolarHBondContact O-N 3.44Å; W2102-M2209 HydrophobicContact CZ2-SD 4.14Å; W2102-M2209 PolarHBondContact NE1-SD 3.4Å; W2102-I2212 HydrophobicContact CH2-CG2 3.79Å; W2102-I2212 HydrophobicContact CZ2-CB 4.34Å; W2102-I2212 HydrophobicContact CZ2-CG2 3.9Å; W2102-R2213 HydrophobicContact CH2-CG 4.22Å; W2102-R2213 HydrophobicContact CZ2-CG 4.38Å; W2102-R2213 PolarHBondContact O-NE 2.91Å; W2102-G2285 VanDerWaalsContact CH2-C 3.46Å; W2102-G2285 WeakPolarHBondContact CH2-O 3.44Å; W2102-G2285 WeakPolarHBondContact CZ3-O 3.28Å; W2102-P2288 HydrophobicContact CZ3-CB 4.26Å; W2102-A2289 HydrophobicContact CH2-CB 4.21Å; W2102-A2289 HydrophobicContact CZ3-CB 4.03Å |
| 2103 | L | 52.6 | Low | 58.1 | Low | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -80.2 | -39.3 | 174.3 | -73.2 | 177.4 | 0 | 0 | 0 | 115.4 | R2099 A2100 N2101 G2108 I2109 R2213 A2289 T2292 | R2099-L2103 VanDerWaalsContact O-CB 3.29Å; R2099-L2103 WeakPolarHBondContact O-CB 3.49Å; R2099-L2103 WeakPolarHBondContact O-CD1 3.44Å; R2099-L2103 WeakPolarHBondContact O-CG 3.49Å; R2099-L2103 PolarHBondContact O-N 3.24Å; A2100-L2103 CarbonylContact O-C 3.44Å; A2100-L2103 WeakPolarHBondContact O-CB 3.12Å; N2101-L2103 PolarHBondContact O-N 2.8Å; L2103-G2108 CarbonylContact O-C 3.32Å; L2103-G2108 WeakPolarHBondContact O-CA 3.42Å; L2103-I2109 HydrophobicContact CB-CD1 3.73Å; L2103-I2109 HydrophobicContact CB-CG1 3.54Å; L2103-I2109 HydrophobicContact CD1-CD1 3.68Å; L2103-I2109 HydrophobicContact CD1-CG1 4.34Å; L2103-I2109 HydrophobicContact CD2-CD1 4.22Å; L2103-I2109 HydrophobicContact CD2-CG1 4.05Å; L2103-I2109 HydrophobicContact CG-CD1 4.05Å; L2103-I2109 HydrophobicContact CG-CG1 4.16Å; L2103-I2109 PolarHBondContact O-N 3.47Å; L2103-I2109 VanDerWaalsContact O-N 3.12Å; L2103-R2213 HydrophobicContact CD2-CG 3.85Å; L2103-R2213 WeakPolarHBondContact O-CD 3.49Å; L2103-A2289 HydrophobicContact CD2-CB 3.6Å; L2103-T2292 HydrophobicContact CD1-CG2 3.8Å |
| 2104 | D | 50.6 | Low | 60.3 | Low | 28 Ų | 28 | 35.2 Ų | 35.2 | 15% | 0.15 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -92.5 | -6.5 | -175.4 | -77.1 | -23 | 0 | 0 | 0 | 115.7 | N1502 A2100 N2101 | N1502-D2104 PolarHBondContact ND2-O 3.35Å; A2100-D2104 WeakPolarHBondContact O-CB 3.49Å; A2100-D2104 PolarHBondContact O-N 3.24Å; N2101-D2104 PolarHBondContact O-N 3.34Å |
| 2105 | M | 48.4 | Very low | 62.5 | Low | 63 Ų | 63 | 37 Ų | 37 | 31% | 0.31 | 18% | 0.18 | S | C | . | . | S | Bend | trans | -69 | 150.9 | 170 | -85.7 | -174.4 | 150.7 | 0 | 0 | 112.4 | N1502 F1504 N2101 G2108 R2213 | N1502-M2105 PolarHBondContact ND2-N 3.26Å; F1504-M2105 HydrophobicContact CD2-CE 3.45Å; F1504-M2105 VanDerWaalsContact CD2-CE 3.45Å; F1504-M2105 HydrophobicContact CD2-SD 3.7Å; F1504-M2105 HydrophobicContact CE2-CE 3.67Å; F1504-M2105 HydrophobicContact CE2-SD 3.5Å; F1504-M2105 WeakPolarHBondContact CE2-SD 3.25Å; F1504-M2105 HydrophobicContact CG-CE 4.4Å; N2101-M2105 PolarHBondContact O-N 3.24Å; M2105-G2108 PolarHBondContact O-N 2.91Å; M2105-R2213 PolarHBondContact O-NH1 2.8Å; M2105-R2213 PolarHBondContact O-NH2 3.24Å |
| 2106 | D | 50.3 | Low | 64.5 | Low | 100 Ų | 100 | 35.9 Ų | 35.9 | 54% | 0.535 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 46.2 | 77.3 | 174.8 | -55.8 | -35.2 | 0 | 0 | 0 | 113.7 | G2108 V2206 R2213 | D2106-G2108 PolarHBondContact O-N 2.77Å; D2106-V2206 HydrophobicContact CB-CG1 4.36Å; D2106-R2213 PolarHBondContact O-NH1 3.45Å |
| 2107 | N | 50.7 | Low | 66.6 | Low | 137 Ų | 137 | 35 Ų | 35 | 73% | 0.733 | 17% | 0.17 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.1 | 5.3 | -176.3 | -66.5 | -37.9 | 0 | 0 | 0 | 116.9 | ||
| 2108 | G | 63.5 | Low | 68.5 | Low | 9 Ų | 9 | 34.9 Ų | 34.9 | 9% | 0.093 | 17% | 0.172 | C | C | . | . | trans | 71.4 | -157.6 | 160.7 | 0 | 0 | 0 | 0 | 0 | 117.1 | L2103 M2105 D2106 R2213 | L2103-G2108 CarbonylContact O-C 3.32Å; L2103-G2108 WeakPolarHBondContact O-CA 3.42Å; M2105-G2108 PolarHBondContact O-N 2.91Å; D2106-G2108 PolarHBondContact O-N 2.77Å; G2108-R2213 PolarHBondContact O-NH1 3.25Å; G2108-R2213 VanDerWaalsContact O-NH1 3.08Å | ||
| 2109 | I | 76.6 | Confident | 70.5 | Confident | 11 Ų | 11 | 34.1 Ų | 34.1 | 6% | 0.056 | 17% | 0.169 | C | C | . | . | S | Bend | trans | -81.9 | 115.9 | 170.4 | -41.8 | 179.5 | 0 | 0 | 0 | 109.6 | L2074 L2103 V2217 T2292 V2293 | L2074-I2109 HydrophobicContact CB-CB 4.42Å; L2074-I2109 HydrophobicContact CD1-CB 4.41Å; L2074-I2109 HydrophobicContact CD1-CG2 3.9Å; L2074-I2109 HydrophobicContact CD2-CB 4.44Å; L2074-I2109 HydrophobicContact CD2-CD1 4.28Å; L2074-I2109 HydrophobicContact CD2-CG2 4.09Å; L2074-I2109 HydrophobicContact CG-CG2 4.46Å; L2103-I2109 HydrophobicContact CB-CD1 3.73Å; L2103-I2109 HydrophobicContact CB-CG1 3.54Å; L2103-I2109 HydrophobicContact CD1-CD1 3.68Å; L2103-I2109 HydrophobicContact CD1-CG1 4.34Å; L2103-I2109 HydrophobicContact CD2-CD1 4.22Å; L2103-I2109 HydrophobicContact CD2-CG1 4.05Å; L2103-I2109 HydrophobicContact CG-CD1 4.05Å; L2103-I2109 HydrophobicContact CG-CG1 4.16Å; L2103-I2109 PolarHBondContact O-N 3.47Å; L2103-I2109 VanDerWaalsContact O-N 3.12Å; I2109-V2217 HydrophobicContact CG2-CG1 4.3Å; I2109-V2217 HydrophobicContact CG2-CG2 3.44Å; I2109-V2217 VanDerWaalsContact CG2-CG2 3.44Å; I2109-T2292 HydrophobicContact CD1-CG2 4.04Å; I2109-V2293 HydrophobicContact CG2-CG2 3.7Å |
| 2110 | R | 83.4 | Confident | 72.2 | Confident | 76 Ų | 76 | 32.7 Ų | 32.7 | 29% | 0.287 | 16% | 0.164 | S | C | . | . | trans | -151.1 | 148.8 | 173.9 | 64.1 | -176.1 | -160.8 | 144.5 | 3.1 | 112.1 | N2071 E2243 | N2071-R2110 WeakPolarHBondContact OD1-CA 3.34Å; R2110-E2243 IonicContact CZ-OE1 3.35Å; R2110-E2243 VanDerWaalsContact CZ-OE1 3.23Å; R2110-E2243 IonicContact NE-OE1 2.59Å; R2110-E2243 PolarHBondContact NE-OE1 2.79Å; R2110-E2243 IonicContact NH2-OE1 2.75Å; R2110-E2243 PolarHBondContact NH2-OE1 3.33Å; R2110-E2243 IonicContact NH2-OE2 3.59Å; R2110-E2243 PolarHBondContact NH2-OE2 2.79Å | ||
| 2111 | I | 87.4 | Confident | 73.8 | Confident | 4 Ų | 4 | 35 Ų | 35 | 2% | 0.021 | 17% | 0.174 | C | C | . | . | trans | -80 | 136.7 | 151.1 | -71.4 | 180 | 0 | 0 | 0 | 107.7 | F2067 N2071 T2113 V2217 T2218 V2221 | F2067-I2111 HydrophobicContact CB-CB 4.44Å; F2067-I2111 HydrophobicContact CB-CG2 4.04Å; F2067-I2111 HydrophobicContact CD1-CD1 3.89Å; F2067-I2111 HydrophobicContact CD2-CD1 4.49Å; F2067-I2111 HydrophobicContact CD2-CG2 3.57Å; F2067-I2111 HydrophobicContact CE1-CD1 4.16Å; F2067-I2111 HydrophobicContact CE2-CG2 4.12Å; F2067-I2111 HydrophobicContact CG-CD1 4.07Å; F2067-I2111 HydrophobicContact CG-CG2 3.89Å; N2071-I2111 PolarHBondContact ND2-O 3.44Å; N2071-I2111 PolarHBondContact OD1-N 3.01Å; N2071-I2111 PolarHBondContact OD1-O 2.81Å; I2111-T2113 PolarHBondContact O-N 3.16Å; I2111-V2217 HydrophobicContact CD1-CB 4.49Å; I2111-V2217 HydrophobicContact CD1-CG1 4.14Å; I2111-V2217 HydrophobicContact CG1-CB 3.76Å; I2111-V2217 HydrophobicContact CG1-CG1 3.62Å; I2111-T2218 HydrophobicContact CD1-CG2 4.34Å; I2111-T2218 HydrophobicContact CG1-CG2 4Å; I2111-T2218 HydrophobicContact CG2-CG2 4.4Å; I2111-V2221 HydrophobicContact CD1-CB 3.68Å; I2111-V2221 HydrophobicContact CD1-CG1 3.92Å; I2111-V2221 HydrophobicContact CD1-CG2 3.7Å | ||
| 2112 | R | 86.6 | Confident | 75.5 | Confident | 62 Ų | 62 | 41.7 Ų | 41.7 | 23% | 0.234 | 20% | 0.199 | C | C | . | . | trans | -76.9 | 105.6 | 170.6 | -166.8 | 147.5 | 178.7 | -171.1 | -14.3 | 109.6 | H2238 T2241 E2243 I2245 | R2112-H2238 VanDerWaalsContact CZ-CD2 3.47Å; R2112-H2238 PolarHBondContact NH1-CD2 3.03Å; R2112-H2238 PolarHBondContact NH1-CE1 3.17Å; R2112-H2238 PolarHBondContact NH1-ND1 3.47Å; R2112-H2238 PolarHBondContact NH1-NE2 3.37Å; R2112-H2238 PolarHBondContact NH2-CD2 2.91Å; R2112-H2238 VanDerWaalsContact NH2-CD2 3.27Å; R2112-H2238 PolarHBondContact NH2-NE2 3.14Å; R2112-T2241 PolarHBondContact NH1-OG1 3.14Å; R2112-E2243 WeakPolarHBondContact CD-OE2 3.39Å; R2112-E2243 IonicContact CZ-OE2 3.65Å; R2112-E2243 IonicContact NE-OE2 2.84Å; R2112-E2243 IonicContact NH1-OE2 3.32Å; R2112-E2243 PolarHBondContact NH1-OE2 3.04Å; R2112-I2245 HydrophobicContact CB-CD1 4.3Å; R2112-I2245 HydrophobicContact CB-CG1 4.11Å; R2112-I2245 HydrophobicContact CG-CD1 3.93Å; R2112-I2245 HydrophobicContact CG-CG1 4.3Å | ||
| 2113 | T | 89.3 | Confident | 77.2 | Confident | 48 Ų | 48 | 40.1 Ų | 40.1 | 29% | 0.294 | 19% | 0.193 | S | C | . | . | trans | -84.3 | 150.8 | -179.9 | 51.3 | 0 | 0 | 0 | 0 | 111.4 | F2067 I2068 I2111 | F2067-T2113 HydrophobicContact CB-CG2 3.78Å; I2068-T2113 HydrophobicContact CG1-CG2 3.78Å; I2111-T2113 PolarHBondContact O-N 3.16Å | ||
| 2114 | Y | 90.6 | Very high | 79 | Confident | 12 Ų | 12 | 40.2 Ų | 40.2 | 5% | 0.047 | 19% | 0.194 | C | C | . | . | trans | -132.2 | 150.5 | 170.4 | 62.3 | -97.8 | 0 | 0 | 0 | 109.7 | Q2064 V2116 I2126 E2127 H2246 I2247 | Q2064-Y2114 HydrophobicContact CG-CE2 4.29Å; Q2064-Y2114 WeakPolarHBondContact CG-O 3.07Å; Q2064-Y2114 VanDerWaalsContact NE2-CD1 3.33Å; Q2064-Y2114 PolarHBondContact OE1-O 3.02Å; Y2114-V2116 HydrophobicContact CD2-CG2 3.83Å; Y2114-V2116 HydrophobicContact CE2-CG2 3.49Å; Y2114-V2116 VanDerWaalsContact CE2-CG2 3.49Å; Y2114-I2126 HydrophobicContact CD2-CG2 3.74Å; Y2114-I2126 HydrophobicContact CE2-CG2 3.67Å; Y2114-E2127 WeakPolarHBondContact CA-OE2 3.44Å; Y2114-H2246 WeakPolarHBondContact CE1-O 3.08Å; Y2114-I2247 HydrophobicContact CE1-CG2 3.96Å | ||
| 2115 | K | 89.2 | Confident | 81 | Confident | 46 Ų | 46 | 38.9 Ų | 38.9 | 20% | 0.2 | 19% | 0.187 | C | C | . | . | trans | -85.5 | 128.8 | -171.3 | -152.9 | 174.1 | -179.4 | -163 | 0 | 111.6 | P1998 T1999 C2000 T2001 E2127 | P1998-K2115 VanDerWaalsContact O-CD 3.31Å; P1998-K2115 WeakPolarHBondContact O-CD 3.45Å; P1998-K2115 VanDerWaalsContact O-CE 3.29Å; P1998-K2115 WeakPolarHBondContact O-CE 3.14Å; P1998-K2115 PolarHBondContact O-NZ 3.44Å; T1999-K2115 WeakPolarHBondContact O-CB 3.48Å; T1999-K2115 WeakPolarHBondContact O-CD 3.38Å; C2000-K2115 WeakPolarHBondContact O-CD 3.34Å; C2000-K2115 PolarHBondContact O-NZ 3.23Å; T2001-K2115 HydrophobicContact CG2-CD 4.19Å; K2115-E2127 HydrophobicContact CB-CB 4.26Å; K2115-E2127 PolarHBondContact N-OE2 3.11Å; K2115-E2127 WeakPolarHBondContact O-CB 3.4Å; K2115-E2127 PolarHBondContact O-N 3.06Å | ||
| 2116 | V | 90.4 | Very high | 83.1 | Confident | 15 Ų | 15 | 36.4 Ų | 36.4 | 9% | 0.091 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 128.4 | 175.8 | -179.3 | 0 | 0 | 0 | 0 | 108.2 | P2057 D2060 A2061 Q2064 Y2114 I2126 | P2057-V2116 HydrophobicContact CB-CG1 4.04Å; P2057-V2116 WeakPolarHBondContact O-CG1 3.2Å; D2060-V2116 HydrophobicContact CB-CG1 4.13Å; D2060-V2116 HydrophobicContact CB-CG2 4.14Å; A2061-V2116 HydrophobicContact CB-CB 4.01Å; A2061-V2116 HydrophobicContact CB-CG1 3.87Å; Q2064-V2116 HydrophobicContact CG-CG2 4.18Å; Y2114-V2116 HydrophobicContact CD2-CG2 3.83Å; Y2114-V2116 HydrophobicContact CE2-CG2 3.49Å; Y2114-V2116 VanDerWaalsContact CE2-CG2 3.49Å; V2116-I2126 HydrophobicContact CG1-CG1 4.07Å; V2116-I2126 HydrophobicContact CG2-CG1 4.2Å; V2116-I2126 HydrophobicContact CG2-CG2 4.29Å |
| 2117 | I | 91.2 | Very high | 85.1 | Confident | 15 Ų | 15 | 34.3 Ų | 34.3 | 8% | 0.077 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 106.4 | 178.2 | -62.4 | -179.2 | 0 | 0 | 0 | 109.1 | F1868 P1998 M2119 G2124 V2125 | F1868-I2117 HydrophobicContact CB-CG2 3.97Å; F1868-I2117 HydrophobicContact CD2-CD1 4.4Å; F1868-I2117 HydrophobicContact CG-CG2 4.2Å; P1998-I2117 HydrophobicContact CB-CD1 3.73Å; P1998-I2117 WeakPolarHBondContact O-CD1 3.38Å; I2117-M2119 HydrophobicContact CB-CE 4.08Å; I2117-M2119 HydrophobicContact CG2-CE 3.55Å; I2117-M2119 HydrophobicContact CG2-SD 3.97Å; I2117-M2119 PolarHBondContact O-N 3.18Å; I2117-G2124 VanDerWaalsContact O-CA 3.31Å; I2117-G2124 WeakPolarHBondContact O-CA 3.23Å; I2117-V2125 PolarHBondContact N-O 3.29Å; I2117-V2125 PolarHBondContact O-N 3.38Å |
| 2118 | P | 89.1 | Confident | 87 | Confident | 22 Ų | 22 | 31.9 Ų | 31.9 | 14% | 0.143 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.3 | 130.2 | 163.3 | -21.6 | 33.9 | 0 | 0 | 0 | 110.2 | F1872 P2057 R2058 A2061 | F1872-P2118 HydrophobicContact CD2-CB 3.77Å; F1872-P2118 HydrophobicContact CE2-CB 4.37Å; F1872-P2118 HydrophobicContact CG-CB 4.16Å; P2057-P2118 HydrophobicContact CB-CG 4.48Å; P2057-P2118 HydrophobicContact CG-CB 3.93Å; P2057-P2118 HydrophobicContact CG-CG 4.15Å; R2058-P2118 HydrophobicContact CB-CG 4.36Å; R2058-P2118 HydrophobicContact CG-CB 3.86Å; R2058-P2118 HydrophobicContact CG-CG 3.67Å; A2061-P2118 HydrophobicContact CB-CG 4.18Å |
| 2119 | M | 90.7 | Very high | 88.2 | Confident | 2 Ų | 2 | 32.5 Ų | 32.5 | 1% | 0.01 | 15% | 0.145 | C | C | . | . | trans | -106.4 | -29.6 | 176.9 | -63 | -67 | 177.3 | 0 | 0 | 111.6 | F1868 N1875 A1943 Y1946 V1947 I2117 S2123 V2125 | F1868-M2119 HydrophobicContact CD1-SD 4.27Å; F1868-M2119 HydrophobicContact CE1-SD 4.48Å; N1875-M2119 VanDerWaalsContact CB-O 3.3Å; N1875-M2119 WeakPolarHBondContact CB-O 3.3Å; N1875-M2119 PolarHBondContact ND2-O 3.09Å; A1943-M2119 HydrophobicContact CB-SD 3.84Å; Y1946-M2119 HydrophobicContact CD2-CE 3.62Å; Y1946-M2119 HydrophobicContact CD2-SD 4.19Å; Y1946-M2119 HydrophobicContact CE2-CE 3.92Å; Y1946-M2119 HydrophobicContact CG-CE 4.41Å; V1947-M2119 HydrophobicContact CG2-CB 3.72Å; I2117-M2119 HydrophobicContact CB-CE 4.08Å; I2117-M2119 HydrophobicContact CG2-CE 3.55Å; I2117-M2119 HydrophobicContact CG2-SD 3.97Å; I2117-M2119 PolarHBondContact O-N 3.18Å; M2119-S2123 PolarHBondContact N-O 2.9Å; M2119-V2125 HydrophobicContact CE-CB 4.13Å; M2119-V2125 HydrophobicContact CE-CG2 3.69Å; M2119-V2125 HydrophobicContact CG-CG2 4.14Å | ||
| 2120 | A | 87.6 | Confident | 88.7 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 16% | 0.156 | C | C | . | . | S | Bend | trans | -151.7 | -165.2 | 170 | 0 | 0 | 0 | 0 | 0 | 109.2 | F1872 N1875 D1879 V1947 R2122 S2123 | F1872-A2120 WeakPolarHBondContact CD2-O 3.33Å; F1872-A2120 WeakPolarHBondContact CE2-O 3.42Å; N1875-A2120 HydrophobicContact CB-CB 4.37Å; D1879-A2120 WeakPolarHBondContact OD2-CB 3.34Å; V1947-A2120 HydrophobicContact CG1-CB 4.34Å; V1947-A2120 HydrophobicContact CG2-CB 3.76Å; A2120-R2122 PolarHBondContact O-N 3.29Å; A2120-S2123 PolarHBondContact N-O 3.39Å; A2120-S2123 VanDerWaalsContact N-O 3.08Å |
| 2121 | Q | 80.3 | Confident | 88.8 | Confident | 52 Ų | 52 | 35.5 Ų | 35.5 | 24% | 0.243 | 17% | 0.165 | C | C | . | . | S | Bend | trans | -74.1 | -25.4 | -170.2 | -169 | 170.9 | -47.9 | 0 | 0 | 114.2 | A1876 D1879 L2316 | A1876-Q2121 HydrophobicContact CB-CB 4.48Å; D1879-Q2121 PolarHBondContact OD2-N 3.11Å; Q2121-L2316 HydrophobicContact CG-CD2 4.37Å |
| 2122 | R | 83 | Confident | 88.9 | Confident | 141 Ų | 141 | 36.7 Ų | 36.7 | 53% | 0.532 | 17% | 0.173 | S | C | . | . | S | Bend | trans | -131.3 | 12.8 | -178.9 | -74.8 | 175 | 150.1 | 169.3 | -7.6 | 113.3 | D1879 G2053 K2054 D2055 A2120 | D1879-R2122 HydrophobicContact CB-CB 4.19Å; D1879-R2122 PolarHBondContact OD2-N 3.16Å; G2053-R2122 CarbonylContact C-O 3.57Å; G2053-R2122 WeakPolarHBondContact CA-O 3.36Å; K2054-R2122 PolarHBondContact N-O 3.12Å; D2055-R2122 PolarHBondContact N-O 2.88Å; D2055-R2122 CarbonylContact O-C 3.56Å; D2055-R2122 VanDerWaalsContact O-CA 3.23Å; D2055-R2122 WeakPolarHBondContact O-CA 3.45Å; A2120-R2122 PolarHBondContact O-N 3.29Å |
| 2123 | S | 89 | Confident | 89.1 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 136.6 | -175.4 | -70.3 | 0 | 0 | 0 | 0 | 112 | D1879 A1950 N1951 K2052 M2119 A2120 | D1879-S2123 VanDerWaalsContact OD1-CB 3.29Å; D1879-S2123 WeakPolarHBondContact OD1-CB 3.35Å; D1879-S2123 PolarHBondContact OD1-OG 2.89Å; A1950-S2123 WeakPolarHBondContact CB-OG 3.42Å; N1951-S2123 PolarHBondContact ND2-OG 3.31Å; K2052-S2123 WeakPolarHBondContact O-CA 3.44Å; M2119-S2123 PolarHBondContact N-O 2.9Å; A2120-S2123 PolarHBondContact N-O 3.39Å; A2120-S2123 VanDerWaalsContact N-O 3.08Å |
| 2124 | G | 91.1 | Very high | 89.2 | Confident | 2 Ų | 2 | 34.7 Ų | 34.7 | 2% | 0.021 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -167.7 | 169.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | K2052 I2117 | K2052-G2124 PolarHBondContact N-O 3.03Å; K2052-G2124 PolarHBondContact O-N 3.16Å; I2117-G2124 VanDerWaalsContact O-CA 3.31Å; I2117-G2124 WeakPolarHBondContact O-CA 3.23Å |
| 2125 | V | 93.3 | Very high | 89.2 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 133.9 | -178.5 | -171.3 | 0 | 0 | 0 | 0 | 109.7 | Y1946 T1999 Q2049 V2051 I2117 M2119 | Y1946-V2125 HydrophobicContact CD1-CG2 3.46Å; Y1946-V2125 VanDerWaalsContact CD1-CG2 3.46Å; Y1946-V2125 HydrophobicContact CD2-CG2 3.84Å; Y1946-V2125 HydrophobicContact CE1-CG1 4.39Å; Y1946-V2125 HydrophobicContact CE1-CG2 3.79Å; Y1946-V2125 HydrophobicContact CE2-CG2 4.12Å; Y1946-V2125 HydrophobicContact CG-CG2 3.49Å; Y1946-V2125 VanDerWaalsContact CG-CG2 3.49Å; T1999-V2125 HydrophobicContact CG2-CG1 3.81Å; Q2049-V2125 HydrophobicContact CB-CG1 3.93Å; Q2049-V2125 HydrophobicContact CG-CG1 4.32Å; V2051-V2125 HydrophobicContact CG2-CG2 4.41Å; I2117-V2125 PolarHBondContact N-O 3.29Å; I2117-V2125 PolarHBondContact O-N 3.38Å; M2119-V2125 HydrophobicContact CE-CB 4.13Å; M2119-V2125 HydrophobicContact CE-CG2 3.69Å; M2119-V2125 HydrophobicContact CG-CG2 4.14Å |
| 2126 | I | 92.2 | Very high | 89.2 | Confident | 11 Ų | 11 | 32.1 Ų | 32.1 | 6% | 0.056 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 135.8 | -178.8 | -59.5 | -179.5 | 0 | 0 | 0 | 108.5 | Q2049 L2050 K2052 Y2114 V2116 | Q2049-I2126 WeakPolarHBondContact CA-O 3.41Å; L2050-I2126 HydrophobicContact CB-CB 4.27Å; L2050-I2126 PolarHBondContact N-O 3.45Å; L2050-I2126 PolarHBondContact O-N 3.48Å; K2052-I2126 HydrophobicContact CD-CD1 3.81Å; K2052-I2126 HydrophobicContact CG-CD1 4.21Å; Y2114-I2126 HydrophobicContact CD2-CG2 3.74Å; Y2114-I2126 HydrophobicContact CE2-CG2 3.67Å; V2116-I2126 HydrophobicContact CG1-CG1 4.07Å; V2116-I2126 HydrophobicContact CG2-CG1 4.2Å; V2116-I2126 HydrophobicContact CG2-CG2 4.29Å |
| 2127 | E | 92.8 | Very high | 89.1 | Confident | 56 Ų | 56 | 34.8 Ų | 34.8 | 26% | 0.262 | 17% | 0.171 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.3 | 130.7 | 170.4 | -178.7 | -179 | -174.8 | 0 | 0 | 110.7 | T1999 Y2114 K2115 | T1999-E2127 HydrophobicContact CG2-CB 4.23Å; Y2114-E2127 WeakPolarHBondContact CA-OE2 3.44Å; K2115-E2127 HydrophobicContact CB-CB 4.26Å; K2115-E2127 PolarHBondContact N-OE2 3.11Å; K2115-E2127 WeakPolarHBondContact O-CB 3.4Å; K2115-E2127 PolarHBondContact O-N 3.06Å |
| 2128 | W | 90.2 | Very high | 89 | Confident | 85 Ų | 85 | 35 Ų | 35 | 32% | 0.322 | 17% | 0.171 | S | C | . | . | trans | -84.1 | 129.3 | 173.1 | -177.5 | -91.9 | 0 | 0 | 0 | 110.3 | V2028 V2036 R2048 L2050 E2130 | V2028-W2128 HydrophobicContact CG2-CZ3 4.36Å; V2036-W2128 HydrophobicContact CG1-CE3 4.5Å; V2036-W2128 HydrophobicContact CG2-CE3 3.8Å; V2036-W2128 HydrophobicContact CG2-CH2 4.33Å; V2036-W2128 HydrophobicContact CG2-CZ3 3.62Å; R2048-W2128 HydrophobicContact CB-CB 3.49Å; R2048-W2128 VanDerWaalsContact CB-CB 3.49Å; R2048-W2128 HydrophobicContact CB-CG 3.69Å; R2048-W2128 WeakPolarHBondContact O-CB 3.24Å; R2048-W2128 PolarHBondContact O-N 3.08Å; L2050-W2128 HydrophobicContact CB-CE3 4.43Å; L2050-W2128 HydrophobicContact CD1-CZ3 4.37Å; W2128-E2130 PolarHBondContact O-N 2.76Å | ||
| 2129 | C | 89 | Confident | 89.1 | Confident | 22 Ų | 22 | 34 Ų | 34 | 15% | 0.149 | 16% | 0.164 | C | C | . | . | trans | -77.1 | 92.8 | 176.9 | -61.8 | 0 | 0 | 0 | 0 | 110.5 | T2132 L2236 I2245 | C2129-T2132 HydrophobicContact CB-CG2 3.69Å; C2129-T2132 PolarHBondContact O-OG1 3.48Å; C2129-L2236 HydrophobicContact CB-CD1 4.14Å; C2129-I2245 HydrophobicContact CB-CD1 4.45Å | ||
| 2130 | E | 86.5 | Confident | 88.9 | Confident | 63 Ų | 63 | 34.7 Ų | 34.7 | 29% | 0.294 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | 162.4 | 169.2 | -58.7 | -59.9 | 161.9 | 0 | 0 | 112.1 | R2048 W2128 T2132 H2238 | R2048-E2130 WeakPolarHBondContact CB-OE1 3.31Å; R2048-E2130 WeakPolarHBondContact CD-OE1 3.43Å; R2048-E2130 VanDerWaalsContact CG-OE1 3.29Å; R2048-E2130 WeakPolarHBondContact CG-OE1 3.42Å; R2048-E2130 IonicContact CZ-OE1 2.78Å; R2048-E2130 IonicContact CZ-OE2 2.74Å; R2048-E2130 VanDerWaalsContact CZ-OE2 3.27Å; R2048-E2130 VanDerWaalsContact NE-CD 3.29Å; R2048-E2130 IonicContact NE-OE1 3.52Å; R2048-E2130 PolarHBondContact NE-OE1 3.3Å; R2048-E2130 IonicContact NE-OE2 3.81Å; R2048-E2130 PolarHBondContact NE-OE2 3.01Å; R2048-E2130 IonicContact NH2-OE2 2.76Å; R2048-E2130 PolarHBondContact NH2-OE2 2.99Å; W2128-E2130 PolarHBondContact O-N 2.76Å; E2130-T2132 PolarHBondContact O-N 3.05Å; E2130-T2132 VanDerWaalsContact O-N 3.08Å; E2130-H2238 PolarHBondContact O-CD2 2.73Å; E2130-H2238 PolarHBondContact O-NE2 3.2Å |
| 2131 | D | 86 | Confident | 88.7 | Confident | 88 Ų | 88 | 37.6 Ų | 37.6 | 47% | 0.471 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.3 | 16.9 | -178.7 | -85.5 | 11.4 | 0 | 0 | 0 | 115.7 | H2238 K2239 S2240 | D2131-H2238 WeakPolarHBondContact CB-NE2 3.43Å; D2131-K2239 WeakPolarHBondContact O-CB 3.4Å; D2131-K2239 WeakPolarHBondContact O-CG 3.39Å; D2131-K2239 PolarHBondContact O-N 3.49Å; D2131-S2240 PolarHBondContact OD2-OG 3.49Å |
| 2132 | T | 89.8 | Confident | 88.2 | Confident | 29 Ų | 29 | 40.4 Ų | 40.4 | 18% | 0.178 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 159.3 | 179.6 | 62.9 | 0 | 0 | 0 | 0 | 115.3 | C2129 E2130 L2236 L2237 I2245 | C2129-T2132 HydrophobicContact CB-CG2 3.69Å; C2129-T2132 PolarHBondContact O-OG1 3.48Å; E2130-T2132 PolarHBondContact O-N 3.05Å; E2130-T2132 VanDerWaalsContact O-N 3.08Å; T2132-L2236 HydrophobicContact CG2-CB 4.12Å; T2132-L2236 HydrophobicContact CG2-CD1 4.23Å; T2132-L2237 CarbonylContact C-O 3.55Å; T2132-L2237 VanDerWaalsContact CA-O 3.28Å; T2132-L2237 WeakPolarHBondContact CA-O 3.49Å; T2132-I2245 HydrophobicContact CG2-CD1 3.92Å |
| 2133 | V | 89.6 | Confident | 87.5 | Confident | 31 Ų | 31 | 44.4 Ų | 44.4 | 19% | 0.188 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 138.3 | 165.5 | 63.7 | 0 | 0 | 0 | 0 | 110 | W2138 F2193 L2236 L2237 | V2133-W2138 HydrophobicContact CG1-CB 4.46Å; V2133-W2138 HydrophobicContact CG2-CB 4.39Å; V2133-F2193 HydrophobicContact CG1-CE2 4.29Å; V2133-L2236 WeakPolarHBondContact O-CA 3.41Å; V2133-L2237 HydrophobicContact CG1-CB 4.23Å; V2133-L2237 PolarHBondContact N-O 3.35Å; V2133-L2237 PolarHBondContact O-N 3.32Å |
| 2134 | P | 90.6 | Very high | 86.8 | Confident | 36 Ų | 36 | 48.1 Ų | 48.1 | 23% | 0.234 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64 | 136.5 | 172.5 | -22.2 | 34.8 | 0 | 0 | 0 | 111.9 | G2136 D2137 W2138 L2236 | P2134-G2136 PolarHBondContact O-N 2.96Å; P2134-D2137 HydrophobicContact CB-CB 4.4Å; P2134-D2137 WeakPolarHBondContact CB-OD2 3.02Å; P2134-D2137 VanDerWaalsContact CG-OD2 3.3Å; P2134-D2137 WeakPolarHBondContact CG-OD2 3.4Å; P2134-D2137 PolarHBondContact O-N 3.1Å; P2134-D2137 VanDerWaalsContact O-N 3.15Å; P2134-W2138 PolarHBondContact O-N 3.42Å; P2134-W2138 VanDerWaalsContact O-N 3.17Å; P2134-L2236 HydrophobicContact CB-CD2 4.13Å; P2134-L2236 HydrophobicContact CG-CD2 3.9Å |
| 2135 | L | 91.9 | Very high | 86.5 | Confident | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.005 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -60.1 | -35.7 | -180 | 178.6 | 70.3 | 0 | 0 | 0 | 111.7 | L2139 L2190 P2232 L2235 L2237 L2273 | L2135-L2139 HydrophobicContact CD1-CD1 3.81Å; L2135-L2139 HydrophobicContact CD1-CG 4.08Å; L2135-L2139 HydrophobicContact CD2-CD1 4.46Å; L2135-L2139 HydrophobicContact CG-CD1 3.84Å; L2135-L2139 HydrophobicContact CG-CG 4.41Å; L2135-L2139 WeakPolarHBondContact O-CB 3.42Å; L2135-L2139 WeakPolarHBondContact O-CG 3.23Å; L2135-L2139 PolarHBondContact O-N 3.38Å; L2135-L2190 HydrophobicContact CD1-CD1 3.67Å; L2135-L2190 HydrophobicContact CD1-CD2 3.92Å; L2135-L2190 HydrophobicContact CD1-CG 4.48Å; L2135-P2232 WeakPolarHBondContact CB-O 3.39Å; L2135-P2232 PolarHBondContact N-O 2.98Å; L2135-L2235 HydrophobicContact CB-CB 4.17Å; L2135-L2235 WeakPolarHBondContact CB-O 3.28Å; L2135-L2235 HydrophobicContact CD2-CB 4.2Å; L2135-L2235 HydrophobicContact CD2-CD1 4.01Å; L2135-L2235 PolarHBondContact N-O 3.43Å; L2135-L2237 HydrophobicContact CD1-CD1 3.77Å; L2135-L2237 HydrophobicContact CD1-CG 4.29Å; L2135-L2273 HydrophobicContact CD2-CD2 3.81Å |
| 2136 | G | 88.4 | Confident | 86.3 | Confident | 3 Ų | 3 | 48 Ų | 48 | 3% | 0.031 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -59.6 | -46.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | P2134 A2140 P2232 | P2134-G2136 PolarHBondContact O-N 2.96Å; G2136-A2140 PolarHBondContact O-N 3.47Å; G2136-P2232 PolarHBondContact N-O 3.35Å |
| 2137 | D | 88 | Confident | 86.1 | Confident | 72 Ų | 72 | 47.5 Ų | 47.5 | 39% | 0.385 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -67 | -42.2 | 179.7 | -73.7 | -53.5 | 0 | 0 | 0 | 112.2 | P2134 N2141 | P2134-D2137 HydrophobicContact CB-CB 4.4Å; P2134-D2137 WeakPolarHBondContact CB-OD2 3.02Å; P2134-D2137 VanDerWaalsContact CG-OD2 3.3Å; P2134-D2137 WeakPolarHBondContact CG-OD2 3.4Å; P2134-D2137 PolarHBondContact O-N 3.1Å; P2134-D2137 VanDerWaalsContact O-N 3.15Å; D2137-N2141 WeakPolarHBondContact O-CB 3.5Å |
| 2138 | W | 90.7 | Very high | 85.8 | Confident | 19 Ų | 19 | 47.1 Ų | 47.1 | 7% | 0.072 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -72 | -35.9 | 179.4 | -171.8 | 91.3 | 0 | 0 | 0 | 112.5 | V2133 P2134 G2145 A2146 V2189 L2190 F2193 E2196 | V2133-W2138 HydrophobicContact CG1-CB 4.46Å; V2133-W2138 HydrophobicContact CG2-CB 4.39Å; P2134-W2138 PolarHBondContact O-N 3.42Å; P2134-W2138 VanDerWaalsContact O-N 3.17Å; W2138-G2145 CarbonylContact O-C 3.57Å; W2138-G2145 WeakPolarHBondContact O-CA 3.45Å; W2138-A2146 HydrophobicContact CD2-CB 4.06Å; W2138-A2146 HydrophobicContact CE3-CB 3.66Å; W2138-A2146 HydrophobicContact CH2-CB 3.26Å; W2138-A2146 HydrophobicContact CZ2-CB 3.69Å; W2138-A2146 HydrophobicContact CZ3-CB 3.23Å; W2138-A2146 WeakPolarHBondContact O-CB 3.28Å; W2138-A2146 PolarHBondContact O-N 3.43Å; W2138-V2189 HydrophobicContact CZ3-CG2 4.48Å; W2138-L2190 HydrophobicContact CE3-CD1 3.77Å; W2138-L2190 HydrophobicContact CH2-CD1 4.49Å; W2138-L2190 HydrophobicContact CZ3-CD1 3.56Å; W2138-F2193 HydrophobicContact CD2-CD2 4Å; W2138-F2193 AromaticContact CE2-CD2 3.75Å; W2138-F2193 HydrophobicContact CG-CD2 4.27Å; W2138-F2193 HydrophobicContact CH2-CB 3.69Å; W2138-F2193 VanDerWaalsContact CZ2-CA 3.48Å; W2138-F2193 HydrophobicContact CZ2-CB 3.69Å; W2138-F2193 HydrophobicContact CZ2-CD2 4.16Å; W2138-F2193 HydrophobicContact CZ2-CG 4.44Å; W2138-F2193 HydrophobicContact CZ3-CB 4.16Å; W2138-F2193 AromaticContact NE1-CD2 3.8Å; W2138-E2196 WeakPolarHBondContact CZ2-OE2 3.18Å; W2138-E2196 PolarHBondContact NE1-OE2 3.06Å; W2138-E2196 VanDerWaalsContact NE1-OE2 3.08Å |
| 2139 | L | 91.1 | Very high | 85.5 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -77.4 | -47.7 | 178.5 | -75.2 | 176.9 | 0 | 0 | 0 | 113.6 | L2135 G2145 A2146 H2147 V2189 L2190 D2272 L2464 | L2135-L2139 HydrophobicContact CD1-CD1 3.81Å; L2135-L2139 HydrophobicContact CD1-CG 4.08Å; L2135-L2139 HydrophobicContact CD2-CD1 4.46Å; L2135-L2139 HydrophobicContact CG-CD1 3.84Å; L2135-L2139 HydrophobicContact CG-CG 4.41Å; L2135-L2139 WeakPolarHBondContact O-CB 3.42Å; L2135-L2139 WeakPolarHBondContact O-CG 3.23Å; L2135-L2139 PolarHBondContact O-N 3.38Å; L2139-G2145 CarbonylContact O-C 3.52Å; L2139-G2145 WeakPolarHBondContact O-CA 3.36Å; L2139-A2146 PolarHBondContact O-N 2.97Å; L2139-H2147 PolarHBondContact O-CD2 2.87Å; L2139-H2147 PolarHBondContact O-N 3.15Å; L2139-V2189 HydrophobicContact CD2-CG2 3.69Å; L2139-L2190 HydrophobicContact CD2-CB 4.38Å; L2139-L2190 HydrophobicContact CD2-CD1 4.12Å; L2139-D2272 HydrophobicContact CD1-CB 4.05Å; L2139-D2272 HydrophobicContact CD2-CB 4.38Å; L2139-L2464 HydrophobicContact CD1-CB 4.3Å |
| 2140 | A | 85.4 | Confident | 85.1 | Confident | 17 Ų | 17 | 46.1 Ų | 46.1 | 14% | 0.14 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -124 | 5.8 | -154.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | G2136 P2157 L2464 | G2136-A2140 PolarHBondContact O-N 3.47Å; A2140-P2157 HydrophobicContact CB-CB 3.84Å; A2140-P2157 HydrophobicContact CB-CG 4.16Å; A2140-L2464 HydrophobicContact CB-CD1 4.1Å |
| 2141 | N | 83.1 | Confident | 84.9 | Confident | 62 Ų | 62 | 45.1 Ų | 45.1 | 33% | 0.332 | 22% | 0.219 | S | C | . | . | trans | -62.2 | 134.7 | 174.3 | -179.7 | -52.8 | 0 | 0 | 0 | 111.9 | D2137 R2143 T2144 G2145 | D2137-N2141 WeakPolarHBondContact O-CB 3.5Å; N2141-R2143 PolarHBondContact O-N 3.37Å; N2141-R2143 PolarHBondContact OD1-N 3.49Å; N2141-R2143 VanDerWaalsContact OD1-N 3.09Å; N2141-T2144 PolarHBondContact ND2-OG1 3.38Å; N2141-T2144 PolarHBondContact OD1-N 3.31Å; N2141-T2144 PolarHBondContact OD1-OG1 2.94Å; N2141-G2145 VanDerWaalsContact O-CA 3.28Å; N2141-G2145 WeakPolarHBondContact O-CA 3.37Å; N2141-G2145 PolarHBondContact O-N 2.93Å | ||
| 2142 | E | 69.7 | Low | 84.7 | Confident | 110 Ų | 110 | 46 Ų | 46 | 51% | 0.514 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51 | -32.6 | -174.5 | -68.5 | -168.4 | 144.1 | 0 | 0 | 115.6 | I2158 | E2142-I2158 HydrophobicContact CG-CD1 3.68Š|
| 2143 | R | 68.7 | Low | 84.4 | Confident | 225 Ų | 225 | 56.3 Ų | 56.3 | 85% | 0.849 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118.9 | -24.2 | -172.8 | -63.2 | -174.5 | -176.1 | -171.1 | -0.2 | 114.1 | N2141 | N2141-R2143 PolarHBondContact O-N 3.37Å; N2141-R2143 PolarHBondContact OD1-N 3.49Å; N2141-R2143 VanDerWaalsContact OD1-N 3.09Å |
| 2144 | T | 75 | Confident | 84.3 | Confident | 78 Ų | 78 | 56.6 Ų | 56.6 | 48% | 0.479 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -124.2 | 4.9 | -175.7 | 60.3 | 0 | 0 | 0 | 0 | 113.1 | N2141 R2149 | N2141-T2144 PolarHBondContact ND2-OG1 3.38Å; N2141-T2144 PolarHBondContact OD1-N 3.31Å; N2141-T2144 PolarHBondContact OD1-OG1 2.94Å; T2144-R2149 PolarHBondContact O-NH1 3.45Å |
| 2145 | G | 84.4 | Confident | 84.2 | Confident | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 26% | 0.258 | C | S | . | . | trans | -71.3 | 137 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | W2138 L2139 N2141 H2147 Q2148 R2149 | W2138-G2145 CarbonylContact O-C 3.57Å; W2138-G2145 WeakPolarHBondContact O-CA 3.45Å; L2139-G2145 CarbonylContact O-C 3.52Å; L2139-G2145 WeakPolarHBondContact O-CA 3.36Å; N2141-G2145 VanDerWaalsContact O-CA 3.28Å; N2141-G2145 WeakPolarHBondContact O-CA 3.37Å; N2141-G2145 PolarHBondContact O-N 2.93Å; G2145-H2147 PolarHBondContact O-N 3.45Å; G2145-Q2148 PolarHBondContact O-N 2.91Å; G2145-R2149 PolarHBondContact O-N 3.06Å | ||
| 2146 | A | 88.4 | Confident | 84.1 | Confident | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -59.3 | -31.4 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | W2138 L2139 R2149 Y2150 V2189 | W2138-A2146 HydrophobicContact CD2-CB 4.06Å; W2138-A2146 HydrophobicContact CE3-CB 3.66Å; W2138-A2146 HydrophobicContact CH2-CB 3.26Å; W2138-A2146 HydrophobicContact CZ2-CB 3.69Å; W2138-A2146 HydrophobicContact CZ3-CB 3.23Å; W2138-A2146 WeakPolarHBondContact O-CB 3.28Å; W2138-A2146 PolarHBondContact O-N 3.43Å; L2139-A2146 PolarHBondContact O-N 2.97Å; A2146-R2149 PolarHBondContact O-N 2.9Å; A2146-Y2150 HydrophobicContact CB-CD2 4.47Å; A2146-Y2150 WeakPolarHBondContact O-CB 3.48Å; A2146-Y2150 PolarHBondContact O-N 2.86Å; A2146-V2189 HydrophobicContact CB-CB 4.39Å; A2146-V2189 HydrophobicContact CB-CG2 3.69Å |
| 2147 | H | 89.9 | Confident | 84.1 | Confident | 1 Ų | 1 | 58.4 Ų | 58.4 | 1% | 0.005 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -58.1 | -50.8 | 176.7 | -86.5 | -76.5 | 0 | 0 | 0 | 111.4 | L2139 G2145 R2151 P2157 L2186 K2187 D2272 L2464 | L2139-H2147 PolarHBondContact O-CD2 2.87Å; L2139-H2147 PolarHBondContact O-N 3.15Å; G2145-H2147 PolarHBondContact O-N 3.45Å; H2147-R2151 CarbonylContact O-C 3.53Å; H2147-R2151 VanDerWaalsContact O-C 3.3Å; H2147-R2151 WeakPolarHBondContact O-CA 3.46Å; H2147-R2151 PolarHBondContact O-N 2.79Å; H2147-P2157 HydrophobicContact CB-CG 3.86Å; H2147-L2186 WeakPolarHBondContact CE1-CD2 3.18Å; H2147-K2187 PolarHBondContact CE1-O 2.91Å; H2147-K2187 VanDerWaalsContact CE1-O 3.32Å; H2147-D2272 IonicContact CD2-OD2 3.41Å; H2147-D2272 IonicContact CE1-OD2 2.68Å; H2147-D2272 IonicContact NE2-OD1 2.79Å; H2147-D2272 IonicContact NE2-OD2 3.91Å; H2147-D2272 PolarHBondContact NE2-OD2 3.35Å; H2147-L2464 WeakPolarHBondContact NE2-CD2 3.38Å |
| 2148 | Q | 86.1 | Confident | 84 | Confident | 48 Ų | 48 | 57.4 Ų | 57.4 | 22% | 0.224 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -75.2 | -30.6 | 177.9 | -87 | 48.5 | 66.8 | 0 | 0 | 112.9 | G2145 | G2145-Q2148 PolarHBondContact O-N 2.91Å |
| 2149 | R | 83.4 | Confident | 84 | Confident | 62 Ų | 62 | 61 Ų | 61 | 23% | 0.234 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -70.1 | -38.2 | 177.9 | -174.3 | 161.2 | 70.6 | -128.4 | -4.7 | 113.2 | K1181 T2144 G2145 A2146 E2196 | K1181-R2149 VanDerWaalsContact O-CD 3.27Å; K1181-R2149 WeakPolarHBondContact O-CD 3.35Å; T2144-R2149 PolarHBondContact O-NH1 3.45Å; G2145-R2149 PolarHBondContact O-N 3.06Å; A2146-R2149 PolarHBondContact O-N 2.9Å; R2149-E2196 IonicContact CZ-OE1 2.83Å; R2149-E2196 IonicContact CZ-OE2 3.52Å; R2149-E2196 IonicContact NE-OE1 2.71Å; R2149-E2196 PolarHBondContact NE-OE1 2.93Å; R2149-E2196 IonicContact NH2-OE1 3.47Å; R2149-E2196 PolarHBondContact NH2-OE1 2.7Å; R2149-E2196 IonicContact NH2-OE2 3.58Å; R2149-E2196 PolarHBondContact NH2-OE2 3.01Å |
| 2150 | Y | 80.6 | Confident | 83.9 | Confident | 23 Ų | 23 | 61 Ų | 61 | 9% | 0.09 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -97.8 | -32.8 | -179.3 | -78.7 | -90.6 | 0 | 0 | 0 | 114.2 | Q1178 K1181 A2146 Y2192 E2196 | Q1178-Y2150 PolarHBondContact OE1-OH 3.37Å; K1181-Y2150 HydrophobicContact CD-CD1 4.05Å; K1181-Y2150 HydrophobicContact CD-CE1 3.47Å; K1181-Y2150 VanDerWaalsContact CD-CE1 3.47Å; A2146-Y2150 HydrophobicContact CB-CD2 4.47Å; A2146-Y2150 WeakPolarHBondContact O-CB 3.48Å; A2146-Y2150 PolarHBondContact O-N 2.86Å; Y2150-Y2192 AromaticContact CD1-CD1 3.56Å; Y2150-Y2192 HydrophobicContact CD1-CD1 3.56Å; Y2150-Y2192 AromaticContact CD1-CD2 3.48Å; Y2150-Y2192 HydrophobicContact CD1-CD2 3.48Å; Y2150-Y2192 VanDerWaalsContact CD1-CD2 3.48Å; Y2150-Y2192 AromaticContact CD1-CE1 3.75Å; Y2150-Y2192 HydrophobicContact CD1-CE1 3.75Å; Y2150-Y2192 AromaticContact CD1-CE2 3.7Å; Y2150-Y2192 HydrophobicContact CD1-CE2 3.7Å; Y2150-Y2192 AromaticContact CD1-CG 3.44Å; Y2150-Y2192 HydrophobicContact CD1-CG 3.44Å; Y2150-Y2192 VanDerWaalsContact CD1-CG 3.44Å; Y2150-Y2192 AromaticContact CD1-CZ 3.83Å; Y2150-Y2192 HydrophobicContact CD2-CD2 4.07Å; Y2150-Y2192 HydrophobicContact CD2-CG 4.14Å; Y2150-Y2192 AromaticContact CE1-CD1 3.31Å; Y2150-Y2192 HydrophobicContact CE1-CD1 3.31Å; Y2150-Y2192 AromaticContact CE1-CD2 3.98Å; Y2150-Y2192 HydrophobicContact CE1-CD2 3.98Å; Y2150-Y2192 AromaticContact CE1-CE1 3.85Å; Y2150-Y2192 HydrophobicContact CE1-CE1 3.85Å; Y2150-Y2192 HydrophobicContact CE1-CE2 4.46Å; Y2150-Y2192 AromaticContact CE1-CG 3.41Å; Y2150-Y2192 HydrophobicContact CE1-CG 3.41Å; Y2150-Y2192 VanDerWaalsContact CE1-CG 3.41Å; Y2150-Y2192 HydrophobicContact CE2-CG 4.11Å; Y2150-Y2192 HydrophobicContact CG-CD1 4.41Å; Y2150-Y2192 AromaticContact CG-CD2 3.55Å; Y2150-Y2192 HydrophobicContact CG-CD2 3.55Å; Y2150-Y2192 AromaticContact CG-CE2 3.95Å; Y2150-Y2192 HydrophobicContact CG-CE2 3.95Å; Y2150-Y2192 AromaticContact CG-CG 3.83Å; Y2150-Y2192 HydrophobicContact CG-CG 3.83Å; Y2150-Y2192 AromaticContact CZ-CG 3.78Å; Y2150-E2196 HydrophobicContact CE2-CG 4.49Å; Y2150-E2196 WeakPolarHBondContact CE2-OE1 3.25Å; Y2150-E2196 VanDerWaalsContact OH-CG 3.29Å; Y2150-E2196 WeakPolarHBondContact OH-CG 3.12Å; Y2150-E2196 PolarHBondContact OH-OE1 3.24Å |
| 2151 | R | 83 | Confident | 83.9 | Confident | 43 Ų | 43 | 61.3 Ų | 61.3 | 16% | 0.162 | 29% | 0.285 | C | S | . | . | trans | -131.2 | 72.6 | 177.4 | -65.4 | -161.2 | 178.4 | 99.7 | 3 | 111.9 | H2147 R2153 D2154 K2187 P2188 | H2147-R2151 CarbonylContact O-C 3.53Å; H2147-R2151 VanDerWaalsContact O-C 3.3Å; H2147-R2151 WeakPolarHBondContact O-CA 3.46Å; H2147-R2151 PolarHBondContact O-N 2.79Å; R2151-R2153 PolarHBondContact O-N 3.06Å; R2151-D2154 HydrophobicContact CB-CB 3.93Å; R2151-D2154 WeakPolarHBondContact CD-OD1 3.42Å; R2151-D2154 WeakPolarHBondContact CD-OD2 3.41Å; R2151-D2154 PolarHBondContact O-N 2.9Å; R2151-K2187 PolarHBondContact NH1-O 3.46Å; R2151-P2188 PolarHBondContact NH1-O 2.77Å | ||
| 2152 | P | 81.7 | Confident | 84.1 | Confident | 106 Ų | 106 | 64.3 Ų | 64.3 | 69% | 0.688 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -1.3 | 176.4 | 27.6 | -36.2 | 0 | 0 | 0 | 114.8 | ||
| 2153 | R | 83.7 | Confident | 85 | Confident | 245 Ų | 245 | 63.5 Ų | 63.5 | 93% | 0.925 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.2 | -13.9 | 173 | -63.7 | -178.4 | -178.5 | 166.4 | 1.5 | 113.5 | R2151 | R2151-R2153 PolarHBondContact O-N 3.06Š|
| 2154 | D | 86.6 | Confident | 85.9 | Confident | 38 Ų | 38 | 53.5 Ų | 53.5 | 20% | 0.203 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -80.3 | 163.8 | 179.3 | -76.5 | 34.9 | 0 | 0 | 0 | 111.1 | R2151 K2187 | R2151-D2154 HydrophobicContact CB-CB 3.93Å; R2151-D2154 WeakPolarHBondContact CD-OD1 3.42Å; R2151-D2154 WeakPolarHBondContact CD-OD2 3.41Å; R2151-D2154 PolarHBondContact O-N 2.9Å; D2154-K2187 PolarHBondContact OD2-N 2.97Å |
| 2155 | M | 88.9 | Confident | 86.3 | Confident | 18 Ų | 18 | 51 Ų | 51 | 9% | 0.089 | 24% | 0.242 | C | C | . | . | P | Polyproline II helix | trans | -60.8 | 132 | 176.7 | -179.4 | 175.8 | -63 | 0 | 0 | 111.4 | Q2159 A2160 I2182 K2185 L2186 | M2155-Q2159 HydrophobicContact CG-CB 4.04Å; M2155-Q2159 HydrophobicContact CG-CG 4.44Å; M2155-A2160 HydrophobicContact SD-CB 4.15Å; M2155-I2182 HydrophobicContact SD-CG1 4.31Å; M2155-K2185 HydrophobicContact CB-CB 4.29Å; M2155-K2185 WeakPolarHBondContact CB-O 3.43Å; M2155-K2185 HydrophobicContact CE-CB 4.12Å; M2155-K2185 HydrophobicContact CE-CD 4.15Å; M2155-K2185 PolarHBondContact N-O 2.93Å; M2155-L2186 HydrophobicContact CB-CB 4.38Å; M2155-L2186 WeakPolarHBondContact O-CD1 3.47Å |
| 2156 | P | 89.1 | Confident | 86.4 | Confident | 56 Ų | 56 | 56.6 Ų | 56.6 | 36% | 0.364 | 28% | 0.276 | S | S | . | . | P | Polyproline II helix | trans | -61.4 | 135.9 | 172.9 | -24.9 | 35.2 | 0 | 0 | 0 | 112.5 | I2158 Q2159 A2160 | P2156-I2158 PolarHBondContact O-N 3.37Å; P2156-Q2159 HydrophobicContact CB-CB 4.39Å; P2156-Q2159 WeakPolarHBondContact O-CA 3.48Å; P2156-Q2159 WeakPolarHBondContact O-CB 3.5Å; P2156-Q2159 PolarHBondContact O-N 2.76Å; P2156-A2160 PolarHBondContact O-N 2.81Å; P2156-A2160 VanDerWaalsContact O-N 3.16Å |
| 2157 | P | 88.9 | Confident | 86.3 | Confident | 4 Ų | 4 | 57.8 Ų | 57.8 | 3% | 0.026 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -54.4 | -28.2 | 176.8 | -30.6 | 37.2 | 0 | 0 | 0 | 114.7 | A2140 H2147 K2161 L2186 Y2463 L2464 | A2140-P2157 HydrophobicContact CB-CB 3.84Å; A2140-P2157 HydrophobicContact CB-CG 4.16Å; H2147-P2157 HydrophobicContact CB-CG 3.86Å; P2157-K2161 WeakPolarHBondContact O-CB 3.41Å; P2157-K2161 PolarHBondContact O-N 2.97Å; P2157-L2186 HydrophobicContact CG-CD1 4.32Å; P2157-Y2463 HydrophobicContact CB-CE2 4.26Å; P2157-Y2463 PolarHBondContact O-OH 3.39Å; P2157-L2464 HydrophobicContact CB-CD2 4.38Å; P2157-L2464 HydrophobicContact CG-CD2 4.39Å |
| 2158 | I | 86.4 | Confident | 85.9 | Confident | 50 Ų | 50 | 63.1 Ų | 63.1 | 26% | 0.256 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -68.8 | -38 | 172.9 | -76.1 | 168 | 0 | 0 | 0 | 112 | E2142 P2156 K2161 Q2162 | E2142-I2158 HydrophobicContact CG-CD1 3.68Å; P2156-I2158 PolarHBondContact O-N 3.37Å; I2158-K2161 WeakPolarHBondContact O-CB 3.46Å; I2158-K2161 PolarHBondContact O-N 3.39Å; I2158-Q2162 VanDerWaalsContact O-CG 3.29Å; I2158-Q2162 WeakPolarHBondContact O-CG 3.46Å; I2158-Q2162 PolarHBondContact O-N 2.94Å |
| 2159 | Q | 89.1 | Confident | 85.7 | Confident | 95 Ų | 95 | 67.1 Ų | 67.1 | 44% | 0.444 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -70.3 | -35 | 177 | -164.9 | 177.2 | 47.3 | 0 | 0 | 111.2 | M2155 P2156 Q2162 R2163 | M2155-Q2159 HydrophobicContact CG-CB 4.04Å; M2155-Q2159 HydrophobicContact CG-CG 4.44Å; P2156-Q2159 HydrophobicContact CB-CB 4.39Å; P2156-Q2159 WeakPolarHBondContact O-CA 3.48Å; P2156-Q2159 WeakPolarHBondContact O-CB 3.5Å; P2156-Q2159 PolarHBondContact O-N 2.76Å; Q2159-Q2162 PolarHBondContact O-N 3.27Å; Q2159-R2163 WeakPolarHBondContact O-CG 3.21Å; Q2159-R2163 PolarHBondContact O-N 2.97Å |
| 2160 | A | 89 | Confident | 85.9 | Confident | 0 Ų | 0 | 69.5 Ų | 69.5 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -63.6 | -45.4 | 169.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | M2155 P2156 Q2162 R2163 L2164 I2182 L2186 Y2463 | M2155-A2160 HydrophobicContact SD-CB 4.15Å; P2156-A2160 PolarHBondContact O-N 2.81Å; P2156-A2160 VanDerWaalsContact O-N 3.16Å; A2160-Q2162 VanDerWaalsContact C-N 3.31Å; A2160-Q2162 PolarHBondContact O-N 3.46Å; A2160-R2163 PolarHBondContact O-N 3.16Å; A2160-L2164 PolarHBondContact O-N 3.16Å; A2160-L2164 VanDerWaalsContact O-N 3.09Å; A2160-I2182 HydrophobicContact CB-CD1 4.33Å; A2160-I2182 HydrophobicContact CB-CG1 4.45Å; A2160-I2182 HydrophobicContact CB-CG2 3.66Å; A2160-L2186 HydrophobicContact CB-CD1 4Å; A2160-Y2463 HydrophobicContact CB-CD1 4.42Å; A2160-Y2463 HydrophobicContact CB-CD2 3.78Å; A2160-Y2463 HydrophobicContact CB-CE1 4.17Å; A2160-Y2463 HydrophobicContact CB-CE2 3.46Å; A2160-Y2463 VanDerWaalsContact CB-CE2 3.46Å; A2160-Y2463 HydrophobicContact CB-CG 4.24Å |
| 2161 | K | 86.6 | Confident | 86.2 | Confident | 23 Ų | 23 | 72 Ų | 72 | 10% | 0.1 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -53.7 | -47 | 173.4 | -170.5 | -179.6 | 170.5 | -172.9 | 0 | 110.8 | P2157 I2158 G2165 I2336 N2337 D2340 F2458 Y2463 | P2157-K2161 WeakPolarHBondContact O-CB 3.41Å; P2157-K2161 PolarHBondContact O-N 2.97Å; I2158-K2161 WeakPolarHBondContact O-CB 3.46Å; I2158-K2161 PolarHBondContact O-N 3.39Å; K2161-G2165 PolarHBondContact O-N 3.22Å; K2161-G2165 VanDerWaalsContact O-N 3.12Å; K2161-I2336 PolarHBondContact NZ-O 3.03Å; K2161-N2337 WeakPolarHBondContact CE-OD1 3.23Å; K2161-N2337 PolarHBondContact NZ-OD1 2.97Å; K2161-D2340 IonicContact NZ-OD2 2.73Å; K2161-D2340 PolarHBondContact NZ-OD2 3.34Å; K2161-F2458 HydrophobicContact CG-CD2 4.41Å; K2161-Y2463 WeakPolarHBondContact CB-OH 3.06Å; K2161-Y2463 PolarHBondContact N-OH 3.41Å |
| 2162 | Q | 87.1 | Confident | 86.3 | Confident | 126 Ų | 126 | 72.5 Ų | 72.5 | 59% | 0.589 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -64.6 | -46.9 | 178.1 | -70.8 | 170.1 | 8.5 | 0 | 0 | 112.7 | I2158 Q2159 A2160 L2164 G2165 V2166 | I2158-Q2162 VanDerWaalsContact O-CG 3.29Å; I2158-Q2162 WeakPolarHBondContact O-CG 3.46Å; I2158-Q2162 PolarHBondContact O-N 2.94Å; Q2159-Q2162 PolarHBondContact O-N 3.27Å; A2160-Q2162 VanDerWaalsContact C-N 3.31Å; A2160-Q2162 PolarHBondContact O-N 3.46Å; Q2162-L2164 PolarHBondContact O-N 2.95Å; Q2162-G2165 PolarHBondContact O-N 2.87Å; Q2162-G2165 VanDerWaalsContact O-N 3.16Å; Q2162-V2166 PolarHBondContact O-N 2.93Å |
| 2163 | R | 88.9 | Confident | 86.6 | Confident | 92 Ų | 92 | 72.6 Ų | 72.6 | 35% | 0.347 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -57.6 | -46 | 178.6 | -83.8 | 175.5 | 153.4 | -127.8 | -4.9 | 112.4 | Q2159 A2160 G2165 V2166 E2181 I2182 | Q2159-R2163 WeakPolarHBondContact O-CG 3.21Å; Q2159-R2163 PolarHBondContact O-N 2.97Å; A2160-R2163 PolarHBondContact O-N 3.16Å; R2163-G2165 VanDerWaalsContact C-N 3.35Å; R2163-V2166 PolarHBondContact O-N 3.4Å; R2163-E2181 IonicContact CZ-OE2 3.12Å; R2163-E2181 IonicContact NH1-OE2 3.63Å; R2163-E2181 PolarHBondContact NH1-OE2 3.26Å; R2163-E2181 IonicContact NH2-OE2 3.39Å; R2163-E2181 PolarHBondContact NH2-OE2 3.39Å; R2163-I2182 HydrophobicContact CB-CD1 3.9Å |
| 2164 | L | 86.2 | Confident | 86.8 | Confident | 16 Ų | 16 | 69 Ų | 69 | 8% | 0.084 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -67.3 | -34.4 | 176.6 | -78.2 | 163.7 | 0 | 0 | 0 | 112.7 | A2160 Q2162 V2166 V2167 K2168 F2179 I2182 F2458 Y2463 | A2160-L2164 PolarHBondContact O-N 3.16Å; A2160-L2164 VanDerWaalsContact O-N 3.09Å; Q2162-L2164 PolarHBondContact O-N 2.95Å; L2164-V2166 VanDerWaalsContact C-N 3.29Å; L2164-V2166 PolarHBondContact O-N 3.04Å; L2164-V2167 HydrophobicContact CD2-CG2 4.26Å; L2164-V2167 WeakPolarHBondContact O-CG2 3.5Å; L2164-V2167 PolarHBondContact O-N 3.03Å; L2164-K2168 PolarHBondContact O-N 3.3Å; L2164-F2179 HydrophobicContact CD1-CD2 4.33Å; L2164-F2179 HydrophobicContact CD2-CD2 4.42Å; L2164-I2182 HydrophobicContact CD1-CD1 4Å; L2164-I2182 HydrophobicContact CD2-CD1 4.42Å; L2164-I2182 HydrophobicContact CG-CD1 3.71Å; L2164-F2458 HydrophobicContact CB-CB 3.78Å; L2164-Y2463 HydrophobicContact CD1-CD1 3.48Å; L2164-Y2463 VanDerWaalsContact CD1-CD1 3.48Å; L2164-Y2463 HydrophobicContact CD1-CE1 3.89Å |
| 2165 | G | 83.7 | Confident | 86.9 | Confident | 24 Ų | 24 | 69 Ų | 69 | 25% | 0.247 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -57.4 | -38.6 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | K2161 Q2162 R2163 V2167 K2168 | K2161-G2165 PolarHBondContact O-N 3.22Å; K2161-G2165 VanDerWaalsContact O-N 3.12Å; Q2162-G2165 PolarHBondContact O-N 2.87Å; Q2162-G2165 VanDerWaalsContact O-N 3.16Å; R2163-G2165 VanDerWaalsContact C-N 3.35Å; G2165-V2167 VanDerWaalsContact C-N 3.31Å; G2165-V2167 PolarHBondContact O-N 3.06Å; G2165-K2168 PolarHBondContact O-N 2.97Å |
| 2166 | V | 86.8 | Confident | 87 | Confident | 118 Ų | 118 | 70.8 Ų | 70.8 | 72% | 0.715 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -68.7 | -26.1 | 178.6 | 174.3 | 0 | 0 | 0 | 0 | 112.9 | Q2162 R2163 L2164 | Q2162-V2166 PolarHBondContact O-N 2.93Å; R2163-V2166 PolarHBondContact O-N 3.4Å; L2164-V2166 VanDerWaalsContact C-N 3.29Å; L2164-V2166 PolarHBondContact O-N 3.04Å |
| 2167 | V | 86.8 | Confident | 87.2 | Confident | 26 Ų | 26 | 72.6 Ų | 72.6 | 16% | 0.158 | 37% | 0.367 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.7 | 7.9 | 179.1 | -63.4 | 0 | 0 | 0 | 0 | 114.3 | L2164 G2165 D2169 K2170 K2175 A2178 | L2164-V2167 HydrophobicContact CD2-CG2 4.26Å; L2164-V2167 WeakPolarHBondContact O-CG2 3.5Å; L2164-V2167 PolarHBondContact O-N 3.03Å; G2165-V2167 VanDerWaalsContact C-N 3.31Å; G2165-V2167 PolarHBondContact O-N 3.06Å; V2167-D2169 PolarHBondContact O-N 3.21Å; V2167-D2169 VanDerWaalsContact O-N 3.1Å; V2167-K2170 HydrophobicContact CB-CB 4.4Å; V2167-K2170 HydrophobicContact CB-CG 4.06Å; V2167-K2170 HydrophobicContact CG1-CG 4.27Å; V2167-K2170 WeakPolarHBondContact O-CB 3.44Å; V2167-K2170 PolarHBondContact O-N 2.7Å; V2167-K2175 HydrophobicContact CG2-CG 4.49Å; V2167-K2175 VanDerWaalsContact O-CE 3.28Å; V2167-K2175 WeakPolarHBondContact O-CE 3.36Å; V2167-A2178 HydrophobicContact CG1-CB 4.25Å; V2167-A2178 HydrophobicContact CG2-CB 3.97Å |
| 2168 | K | 81.2 | Confident | 87.3 | Confident | 113 Ų | 113 | 73.3 Ų | 73.3 | 49% | 0.491 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | -34.9 | -175.7 | 90.6 | 169.1 | -164.2 | 166 | 0 | 113.2 | L2164 G2165 K2175 F2458 | L2164-K2168 PolarHBondContact O-N 3.3Å; G2165-K2168 PolarHBondContact O-N 2.97Å; K2168-K2175 WeakPolarHBondContact O-CE 3.42Å; K2168-K2175 PolarHBondContact O-NZ 3.21Å; K2168-F2458 HydrophobicContact CB-CD1 4.42Å; K2168-F2458 HydrophobicContact CD-CE1 4.37Å |
| 2169 | D | 82.5 | Confident | 87.6 | Confident | 132 Ų | 132 | 71 Ų | 71 | 71% | 0.706 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101 | 18.4 | -176.4 | -53.7 | -57.7 | 0 | 0 | 0 | 113.1 | V2167 | V2167-D2169 PolarHBondContact O-N 3.21Å; V2167-D2169 VanDerWaalsContact O-N 3.1Å |
| 2170 | K | 87 | Confident | 87.8 | Confident | 111 Ų | 111 | 69.1 Ų | 69.1 | 48% | 0.483 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -98.1 | 166.5 | 177.1 | -56.1 | -58.9 | -178.4 | -168.6 | 0 | 112 | V2167 R2174 K2175 | V2167-K2170 HydrophobicContact CB-CB 4.4Å; V2167-K2170 HydrophobicContact CB-CG 4.06Å; V2167-K2170 HydrophobicContact CG1-CG 4.27Å; V2167-K2170 WeakPolarHBondContact O-CB 3.44Å; V2167-K2170 PolarHBondContact O-N 2.7Å; K2170-R2174 HydrophobicContact CB-CB 4.04Å; K2170-K2175 VanDerWaalsContact O-CE 3.29Å; K2170-K2175 WeakPolarHBondContact O-CE 3.49Å |
| 2171 | T | 87.2 | Confident | 87.9 | Confident | 76 Ų | 76 | 72.3 Ų | 72.3 | 47% | 0.466 | 37% | 0.369 | S | S | . | . | trans | -57.1 | 151.1 | 173.2 | 57.5 | 0 | 0 | 0 | 0 | 111.6 | D2173 R2174 K2175 | T2171-D2173 PolarHBondContact O-N 2.89Å; T2171-R2174 PolarHBondContact O-N 3.22Å; T2171-R2174 VanDerWaalsContact O-N 3.1Å; T2171-K2175 PolarHBondContact O-N 2.88Å; T2171-K2175 VanDerWaalsContact O-N 3.16Å | ||
| 2172 | P | 84.5 | Confident | 88.2 | Confident | 53 Ų | 53 | 71.2 Ų | 71.2 | 34% | 0.344 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -55.4 | -35.5 | -177.9 | 21.7 | -33.8 | 0 | 0 | 0 | 113 | R2174 K2175 L2176 R2455 | P2172-R2174 PolarHBondContact O-N 2.78Å; P2172-K2175 WeakPolarHBondContact O-CB 3.47Å; P2172-K2175 PolarHBondContact O-N 3.21Å; P2172-K2175 VanDerWaalsContact O-N 3.13Å; P2172-L2176 PolarHBondContact O-N 3.24Å; P2172-R2455 HydrophobicContact CB-CG 4.48Å |
| 2173 | D | 87.6 | Confident | 88.4 | Confident | 108 Ų | 108 | 65.8 Ų | 65.8 | 58% | 0.578 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -67.2 | -36.8 | -179 | -27.2 | -72.5 | 0 | 0 | 0 | 111.6 | T2171 K2175 L2176 V2177 | T2171-D2173 PolarHBondContact O-N 2.89Å; D2173-K2175 VanDerWaalsContact C-N 3.34Å; D2173-L2176 WeakPolarHBondContact O-CB 3.39Å; D2173-L2176 PolarHBondContact O-N 3.44Å; D2173-V2177 WeakPolarHBondContact O-CG2 3.43Å; D2173-V2177 PolarHBondContact O-N 2.82Å |
| 2174 | R | 88.2 | Confident | 88.3 | Confident | 170 Ų | 170 | 68 Ų | 68 | 64% | 0.642 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -72 | -29.1 | 173.8 | -72.2 | -169.3 | -179.5 | -145.4 | 3.6 | 112.3 | K2170 T2171 P2172 A2178 | K2170-R2174 HydrophobicContact CB-CB 4.04Å; T2171-R2174 PolarHBondContact O-N 3.22Å; T2171-R2174 VanDerWaalsContact O-N 3.1Å; P2172-R2174 PolarHBondContact O-N 2.78Å; R2174-A2178 WeakPolarHBondContact O-CB 3.49Å; R2174-A2178 PolarHBondContact O-N 3.01Å |
| 2175 | K | 89.6 | Confident | 88.5 | Confident | 39 Ų | 39 | 71.4 Ų | 71.4 | 17% | 0.17 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -68.5 | -43.5 | 170.1 | -64.2 | 179.5 | 176.4 | -179.9 | 0 | 111 | V2167 K2168 K2170 T2171 P2172 D2173 A2178 F2179 S2454 | V2167-K2175 HydrophobicContact CG2-CG 4.49Å; V2167-K2175 VanDerWaalsContact O-CE 3.28Å; V2167-K2175 WeakPolarHBondContact O-CE 3.36Å; K2168-K2175 WeakPolarHBondContact O-CE 3.42Å; K2168-K2175 PolarHBondContact O-NZ 3.21Å; K2170-K2175 VanDerWaalsContact O-CE 3.29Å; K2170-K2175 WeakPolarHBondContact O-CE 3.49Å; T2171-K2175 PolarHBondContact O-N 2.88Å; T2171-K2175 VanDerWaalsContact O-N 3.16Å; P2172-K2175 WeakPolarHBondContact O-CB 3.47Å; P2172-K2175 PolarHBondContact O-N 3.21Å; P2172-K2175 VanDerWaalsContact O-N 3.13Å; D2173-K2175 VanDerWaalsContact C-N 3.34Å; K2175-A2178 PolarHBondContact O-N 3.12Å; K2175-F2179 VanDerWaalsContact O-CB 3.25Å; K2175-F2179 WeakPolarHBondContact O-CB 3.46Å; K2175-F2179 PolarHBondContact O-N 2.98Å; K2175-S2454 WeakPolarHBondContact CB-O 3.39Å |
| 2176 | L | 91.3 | Very high | 88.9 | Confident | 54 Ų | 54 | 70.2 Ų | 70.2 | 28% | 0.283 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -57.6 | -51.2 | 175.4 | -174.9 | 78.8 | 0 | 0 | 0 | 111.4 | P2172 D2173 A2178 F2179 N2180 | P2172-L2176 PolarHBondContact O-N 3.24Å; D2173-L2176 WeakPolarHBondContact O-CB 3.39Å; D2173-L2176 PolarHBondContact O-N 3.44Å; L2176-A2178 PolarHBondContact O-N 3.12Å; L2176-F2179 WeakPolarHBondContact O-CB 3.46Å; L2176-F2179 PolarHBondContact O-N 2.79Å; L2176-F2179 VanDerWaalsContact O-N 3.16Å; L2176-N2180 VanDerWaalsContact O-CG 3.25Å; L2176-N2180 PolarHBondContact O-N 2.75Å; L2176-N2180 PolarHBondContact O-OD1 2.92Å |
| 2177 | V | 92 | Very high | 88.9 | Confident | 94 Ų | 94 | 68.1 Ų | 68.1 | 57% | 0.57 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -58.6 | -46.3 | 178.4 | 171.4 | 0 | 0 | 0 | 0 | 111.4 | D2173 F2179 N2180 E2181 | D2173-V2177 WeakPolarHBondContact O-CG2 3.43Å; D2173-V2177 PolarHBondContact O-N 2.82Å; V2177-F2179 VanDerWaalsContact C-N 3.32Å; V2177-F2179 PolarHBondContact O-N 3.01Å; V2177-N2180 PolarHBondContact O-N 3.09Å; V2177-E2181 PolarHBondContact O-N 3.49Å |
| 2178 | A | 90.8 | Very high | 89.1 | Confident | 19 Ų | 19 | 68 Ų | 68 | 16% | 0.157 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -65.9 | -33.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | V2167 R2174 K2175 L2176 I2182 | V2167-A2178 HydrophobicContact CG1-CB 4.25Å; V2167-A2178 HydrophobicContact CG2-CB 3.97Å; R2174-A2178 WeakPolarHBondContact O-CB 3.49Å; R2174-A2178 PolarHBondContact O-N 3.01Å; K2175-A2178 PolarHBondContact O-N 3.12Å; L2176-A2178 PolarHBondContact O-N 3.12Å; A2178-I2182 WeakPolarHBondContact O-CD1 3.49Å; A2178-I2182 VanDerWaalsContact O-CG1 3.32Å; A2178-I2182 WeakPolarHBondContact O-CG1 3.49Å; A2178-I2182 PolarHBondContact O-N 3.45Å |
| 2179 | F | 92.7 | Very high | 89.6 | Confident | 1 Ų | 1 | 62.7 Ų | 62.7 | 0% | 0.004 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -69.7 | -45 | 175.8 | -173.7 | -100.4 | 0 | 0 | 0 | 111.5 | L2164 K2175 L2176 V2177 E2181 I2182 C2183 Y2450 L2453 A2462 | L2164-F2179 HydrophobicContact CD1-CD2 4.33Å; L2164-F2179 HydrophobicContact CD2-CD2 4.42Å; K2175-F2179 VanDerWaalsContact O-CB 3.25Å; K2175-F2179 WeakPolarHBondContact O-CB 3.46Å; K2175-F2179 PolarHBondContact O-N 2.98Å; L2176-F2179 WeakPolarHBondContact O-CB 3.46Å; L2176-F2179 PolarHBondContact O-N 2.79Å; L2176-F2179 VanDerWaalsContact O-N 3.16Å; V2177-F2179 VanDerWaalsContact C-N 3.32Å; V2177-F2179 PolarHBondContact O-N 3.01Å; F2179-E2181 PolarHBondContact O-N 3.47Å; F2179-I2182 WeakPolarHBondContact O-CB 3.3Å; F2179-I2182 PolarHBondContact O-N 3.45Å; F2179-I2182 VanDerWaalsContact O-N 3.13Å; F2179-C2183 VanDerWaalsContact CE1-SG 3.58Å; F2179-C2183 PolarHBondContact O-N 3.21Å; F2179-C2183 PolarHBondContact O-SG 3.41Å; F2179-C2183 VanDerWaalsContact O-SG 3.36Å; F2179-Y2450 HydrophobicContact CD1-CD2 4.32Å; F2179-Y2450 HydrophobicContact CD1-CG 4.19Å; F2179-Y2450 AromaticContact CE1-CD1 3.98Å; F2179-Y2450 HydrophobicContact CE1-CD1 3.98Å; F2179-Y2450 HydrophobicContact CE1-CD2 4.24Å; F2179-Y2450 HydrophobicContact CE1-CE1 4.46Å; F2179-Y2450 AromaticContact CE1-CG 3.86Å; F2179-Y2450 HydrophobicContact CE1-CG 3.86Å; F2179-L2453 HydrophobicContact CE1-CB 4.08Å; F2179-L2453 HydrophobicContact CE2-CB 4.43Å; F2179-L2453 HydrophobicContact CZ-CB 3.78Å; F2179-L2453 HydrophobicContact CZ-CD1 4.47Å; F2179-A2462 HydrophobicContact CE2-CB 3.86Å; F2179-A2462 HydrophobicContact CZ-CB 4.31Å; F2179-A2462 WeakPolarHBondContact CZ-O 3.38Å |
| 2180 | N | 93.1 | Very high | 90 | Very high | 56 Ų | 56 | 56.4 Ų | 56.4 | 30% | 0.299 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -59.4 | -46.3 | 175.5 | -66.9 | 1.6 | 0 | 0 | 0 | 111 | L2176 V2177 I2182 C2183 E2184 Y2450 | L2176-N2180 VanDerWaalsContact O-CG 3.25Å; L2176-N2180 PolarHBondContact O-N 2.75Å; L2176-N2180 PolarHBondContact O-OD1 2.92Å; V2177-N2180 PolarHBondContact O-N 3.09Å; N2180-I2182 PolarHBondContact O-N 2.97Å; N2180-C2183 PolarHBondContact O-N 3.31Å; N2180-C2183 VanDerWaalsContact O-N 3.07Å; N2180-E2184 WeakPolarHBondContact O-CG 3.38Å; N2180-E2184 PolarHBondContact O-N 2.87Å; N2180-Y2450 WeakPolarHBondContact OD1-CD2 3.48Å |
| 2181 | E | 92.6 | Very high | 90.2 | Very high | 68 Ų | 68 | 51.3 Ų | 51.3 | 32% | 0.318 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -59.7 | -27.9 | 176.9 | -126 | -149.5 | -100.5 | 0 | 0 | 113.5 | R2163 V2177 F2179 K2185 | R2163-E2181 IonicContact CZ-OE2 3.12Å; R2163-E2181 IonicContact NH1-OE2 3.63Å; R2163-E2181 PolarHBondContact NH1-OE2 3.26Å; R2163-E2181 IonicContact NH2-OE2 3.39Å; R2163-E2181 PolarHBondContact NH2-OE2 3.39Å; V2177-E2181 PolarHBondContact O-N 3.49Å; F2179-E2181 PolarHBondContact O-N 3.47Å; E2181-K2185 VanDerWaalsContact O-CD 3.22Å; E2181-K2185 WeakPolarHBondContact O-CD 3.41Å; E2181-K2185 VanDerWaalsContact O-CG 3.3Å; E2181-K2185 WeakPolarHBondContact O-CG 3.46Å; E2181-K2185 IonicContact OE2-NZ 3.89Å; E2181-K2185 PolarHBondContact OE2-NZ 3.19Å |
| 2182 | I | 92.2 | Very high | 90.3 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -79.4 | -45.3 | 173.8 | -71.4 | 165.4 | 0 | 0 | 0 | 110 | M2155 A2160 R2163 L2164 A2178 F2179 N2180 E2184 K2185 L2186 Y2463 | M2155-I2182 HydrophobicContact SD-CG1 4.31Å; A2160-I2182 HydrophobicContact CB-CD1 4.33Å; A2160-I2182 HydrophobicContact CB-CG1 4.45Å; A2160-I2182 HydrophobicContact CB-CG2 3.66Å; R2163-I2182 HydrophobicContact CB-CD1 3.9Å; L2164-I2182 HydrophobicContact CD1-CD1 4Å; L2164-I2182 HydrophobicContact CD2-CD1 4.42Å; L2164-I2182 HydrophobicContact CG-CD1 3.71Å; A2178-I2182 WeakPolarHBondContact O-CD1 3.49Å; A2178-I2182 VanDerWaalsContact O-CG1 3.32Å; A2178-I2182 WeakPolarHBondContact O-CG1 3.49Å; A2178-I2182 PolarHBondContact O-N 3.45Å; F2179-I2182 WeakPolarHBondContact O-CB 3.3Å; F2179-I2182 PolarHBondContact O-N 3.45Å; F2179-I2182 VanDerWaalsContact O-N 3.13Å; N2180-I2182 PolarHBondContact O-N 2.97Å; I2182-E2184 VanDerWaalsContact C-N 3.29Å; I2182-E2184 PolarHBondContact O-N 3.43Å; I2182-K2185 CarbonylContact O-C 3.59Å; I2182-K2185 PolarHBondContact O-N 3.46Å; I2182-L2186 WeakPolarHBondContact O-CB 3.48Å; I2182-L2186 PolarHBondContact O-N 3.29Å; I2182-Y2463 HydrophobicContact CG2-CD2 4.26Å; I2182-Y2463 HydrophobicContact CG2-CG 3.98Å |
| 2183 | C | 90.9 | Very high | 90.6 | Very high | 11 Ų | 11 | 46.2 Ų | 46.2 | 7% | 0.074 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -62.4 | -33.4 | -179.2 | -72.1 | 0 | 0 | 0 | 0 | 113.1 | F2179 N2180 K2185 R2271 | F2179-C2183 VanDerWaalsContact CE1-SG 3.58Å; F2179-C2183 PolarHBondContact O-N 3.21Å; F2179-C2183 PolarHBondContact O-SG 3.41Å; F2179-C2183 VanDerWaalsContact O-SG 3.36Å; N2180-C2183 PolarHBondContact O-N 3.31Å; N2180-C2183 VanDerWaalsContact O-N 3.07Å; C2183-K2185 VanDerWaalsContact C-N 3.35Å; C2183-R2271 PolarHBondContact O-NH1 2.97Å; C2183-R2271 PolarHBondContact SG-NE 3.42Å |
| 2184 | E | 88.1 | Confident | 90.8 | Very high | 138 Ų | 138 | 41.1 Ų | 41.1 | 65% | 0.645 | 20% | 0.198 | S | C | * | . | H | α-helix | trans | -65.2 | -34.9 | 171.3 | -72.4 | 175.1 | 168.1 | 0 | 0 | 113.2 | N2180 I2182 | N2180-E2184 WeakPolarHBondContact O-CG 3.38Å; N2180-E2184 PolarHBondContact O-N 2.87Å; I2182-E2184 VanDerWaalsContact C-N 3.29Å; I2182-E2184 PolarHBondContact O-N 3.43Å |
| 2185 | K | 90.2 | Very high | 90.7 | Very high | 88 Ų | 88 | 33.2 Ų | 33.2 | 38% | 0.383 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -102.8 | -1 | -167.8 | -63 | 174.2 | -164.8 | 176.3 | 0 | 113.9 | M2155 E2181 I2182 C2183 | M2155-K2185 HydrophobicContact CB-CB 4.29Å; M2155-K2185 WeakPolarHBondContact CB-O 3.43Å; M2155-K2185 HydrophobicContact CE-CB 4.12Å; M2155-K2185 HydrophobicContact CE-CD 4.15Å; M2155-K2185 PolarHBondContact N-O 2.93Å; E2181-K2185 VanDerWaalsContact O-CD 3.22Å; E2181-K2185 WeakPolarHBondContact O-CD 3.41Å; E2181-K2185 VanDerWaalsContact O-CG 3.3Å; E2181-K2185 WeakPolarHBondContact O-CG 3.46Å; E2181-K2185 IonicContact OE2-NZ 3.89Å; E2181-K2185 PolarHBondContact OE2-NZ 3.19Å; I2182-K2185 CarbonylContact O-C 3.59Å; I2182-K2185 PolarHBondContact O-N 3.46Å; C2183-K2185 VanDerWaalsContact C-N 3.35Å |
| 2186 | L | 90.5 | Very high | 90.5 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 16% | 0.161 | C | C | . | . | S | Bend | trans | -140.3 | 100.2 | 179.7 | -172.6 | 160.2 | 0 | 0 | 0 | 106.7 | H2147 M2155 P2157 A2160 I2182 R2271 Y2463 L2464 | H2147-L2186 WeakPolarHBondContact CE1-CD2 3.18Å; M2155-L2186 HydrophobicContact CB-CB 4.38Å; M2155-L2186 WeakPolarHBondContact O-CD1 3.47Å; P2157-L2186 HydrophobicContact CG-CD1 4.32Å; A2160-L2186 HydrophobicContact CB-CD1 4Å; I2182-L2186 WeakPolarHBondContact O-CB 3.48Å; I2182-L2186 PolarHBondContact O-N 3.29Å; L2186-R2271 PolarHBondContact O-NH1 3.14Å; L2186-R2271 PolarHBondContact O-NH2 3.07Å; L2186-Y2463 HydrophobicContact CD1-CD2 3.88Å; L2186-Y2463 HydrophobicContact CD1-CE2 4.11Å; L2186-Y2463 HydrophobicContact CD2-CD2 4.39Å; L2186-L2464 HydrophobicContact CD2-CD2 4.14Å |
| 2187 | K | 88.4 | Confident | 90.2 | Very high | 73 Ų | 73 | 30.5 Ų | 30.5 | 32% | 0.317 | 16% | 0.155 | S | C | . | . | trans | -93.4 | 143.6 | -179.1 | -72.2 | -160.2 | 172.3 | -166.9 | 0 | 111.9 | N1225 H2147 R2151 D2154 | N1225-K2187 WeakPolarHBondContact OD1-CE 3.32Å; N1225-K2187 PolarHBondContact OD1-NZ 2.9Å; H2147-K2187 PolarHBondContact CE1-O 2.91Å; H2147-K2187 VanDerWaalsContact CE1-O 3.32Å; R2151-K2187 PolarHBondContact NH1-O 3.46Å; D2154-K2187 PolarHBondContact OD2-N 2.97Å | ||
| 2188 | P | 90.8 | Very high | 89.9 | Confident | 25 Ų | 25 | 26.8 Ų | 26.8 | 16% | 0.162 | 13% | 0.131 | C | C | . | . | trans | -63.9 | 154.3 | -174.8 | 29 | -37 | 0 | 0 | 0 | 113 | R2151 R2271 D2272 H2275 | R2151-P2188 PolarHBondContact NH1-O 2.77Å; P2188-R2271 HydrophobicContact CB-CB 4.48Å; P2188-D2272 WeakPolarHBondContact CA-OD1 3.2Å; P2188-D2272 WeakPolarHBondContact CB-OD1 3.2Å; P2188-H2275 HydrophobicContact CB-CB 3.65Å; P2188-H2275 HydrophobicContact CG-CB 3.8Å; P2188-H2275 PolarHBondContact O-CE1 3.08Å | ||
| 2189 | V | 90.6 | Very high | 89.4 | Confident | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 13% | 0.131 | C | C | . | . | trans | -134.3 | -10.4 | -172.3 | -63.5 | 0 | 0 | 0 | 0 | 113.9 | W2138 L2139 A2146 A2191 Y2192 D2272 H2275 | W2138-V2189 HydrophobicContact CZ3-CG2 4.48Å; L2139-V2189 HydrophobicContact CD2-CG2 3.69Å; A2146-V2189 HydrophobicContact CB-CB 4.39Å; A2146-V2189 HydrophobicContact CB-CG2 3.69Å; V2189-A2191 PolarHBondContact O-N 3.26Å; V2189-Y2192 HydrophobicContact CB-CD2 4.05Å; V2189-Y2192 WeakPolarHBondContact O-CB 3.37Å; V2189-Y2192 WeakPolarHBondContact O-CD2 3.42Å; V2189-Y2192 PolarHBondContact O-N 3.24Å; V2189-D2272 PolarHBondContact N-OD1 2.79Å; V2189-H2275 PolarHBondContact N-ND1 3.43Å | ||
| 2190 | L | 92.3 | Very high | 88.8 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -25.6 | -170.1 | -166.4 | 61.1 | 0 | 0 | 0 | 116.1 | L2135 W2138 L2139 Y2192 F2193 L2237 D2272 L2273 H2275 A2276 | L2135-L2190 HydrophobicContact CD1-CD1 3.67Å; L2135-L2190 HydrophobicContact CD1-CD2 3.92Å; L2135-L2190 HydrophobicContact CD1-CG 4.48Å; W2138-L2190 HydrophobicContact CE3-CD1 3.77Å; W2138-L2190 HydrophobicContact CH2-CD1 4.49Å; W2138-L2190 HydrophobicContact CZ3-CD1 3.56Å; L2139-L2190 HydrophobicContact CD2-CB 4.38Å; L2139-L2190 HydrophobicContact CD2-CD1 4.12Å; L2190-Y2192 PolarHBondContact O-N 2.84Å; L2190-Y2192 VanDerWaalsContact O-N 3.15Å; L2190-F2193 HydrophobicContact CD1-CB 4.31Å; L2190-F2193 VanDerWaalsContact O-CB 3.27Å; L2190-F2193 WeakPolarHBondContact O-CB 3.46Å; L2190-F2193 PolarHBondContact O-N 3.13Å; L2190-L2237 HydrophobicContact CD1-CD1 4Å; L2190-D2272 HydrophobicContact CB-CB 4.02Å; L2190-D2272 VanDerWaalsContact CB-O 3.27Å; L2190-D2272 WeakPolarHBondContact CB-O 3.36Å; L2190-D2272 HydrophobicContact CD2-CB 4.49Å; L2190-D2272 PolarHBondContact N-OD1 2.91Å; L2190-L2273 HydrophobicContact CD2-CD2 3.97Å; L2190-H2275 PolarHBondContact N-ND1 3.31Å; L2190-A2276 HydrophobicContact CB-CB 3.97Å; L2190-A2276 HydrophobicContact CD2-CB 3.78Å; L2190-A2276 HydrophobicContact CG-CB 3.73Å |
| 2191 | A | 89.9 | Confident | 88.4 | Confident | 5 Ų | 5 | 28.7 Ų | 28.7 | 4% | 0.041 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -54.3 | -32.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | W1221 L1222 V2189 F2193 F2194 H2275 | W1221-A2191 HydrophobicContact CZ3-CB 4.4Å; L1222-A2191 HydrophobicContact CD2-CB 4.21Å; V2189-A2191 PolarHBondContact O-N 3.26Å; A2191-F2193 VanDerWaalsContact C-N 3.26Å; A2191-F2193 PolarHBondContact O-N 3.37Å; A2191-F2194 PolarHBondContact O-N 2.84Å; A2191-H2275 PolarHBondContact N-ND1 3.14Å |
| 2192 | Y | 89.3 | Confident | 87.8 | Confident | 22 Ų | 22 | 30.2 Ų | 30.2 | 9% | 0.086 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -66.4 | -22.6 | 178.7 | -63.6 | -65 | 0 | 0 | 0 | 113.7 | L1222 Y2150 V2189 L2190 F2194 L2195 E2196 | L1222-Y2192 HydrophobicContact CB-CE1 4.15Å; L1222-Y2192 HydrophobicContact CD1-CD1 4.29Å; L1222-Y2192 HydrophobicContact CD1-CE1 3.93Å; L1222-Y2192 HydrophobicContact CD2-CE1 4.14Å; L1222-Y2192 HydrophobicContact CD2-CE2 4.42Å; L1222-Y2192 HydrophobicContact CG-CE1 4.3Å; L1222-Y2192 PolarHBondContact O-OH 3.19Å; Y2150-Y2192 AromaticContact CD1-CD1 3.56Å; Y2150-Y2192 HydrophobicContact CD1-CD1 3.56Å; Y2150-Y2192 AromaticContact CD1-CD2 3.48Å; Y2150-Y2192 HydrophobicContact CD1-CD2 3.48Å; Y2150-Y2192 VanDerWaalsContact CD1-CD2 3.48Å; Y2150-Y2192 AromaticContact CD1-CE1 3.75Å; Y2150-Y2192 HydrophobicContact CD1-CE1 3.75Å; Y2150-Y2192 AromaticContact CD1-CE2 3.7Å; Y2150-Y2192 HydrophobicContact CD1-CE2 3.7Å; Y2150-Y2192 AromaticContact CD1-CG 3.44Å; Y2150-Y2192 HydrophobicContact CD1-CG 3.44Å; Y2150-Y2192 VanDerWaalsContact CD1-CG 3.44Å; Y2150-Y2192 AromaticContact CD1-CZ 3.83Å; Y2150-Y2192 HydrophobicContact CD2-CD2 4.07Å; Y2150-Y2192 HydrophobicContact CD2-CG 4.14Å; Y2150-Y2192 AromaticContact CE1-CD1 3.31Å; Y2150-Y2192 HydrophobicContact CE1-CD1 3.31Å; Y2150-Y2192 AromaticContact CE1-CD2 3.98Å; Y2150-Y2192 HydrophobicContact CE1-CD2 3.98Å; Y2150-Y2192 AromaticContact CE1-CE1 3.85Å; Y2150-Y2192 HydrophobicContact CE1-CE1 3.85Å; Y2150-Y2192 HydrophobicContact CE1-CE2 4.46Å; Y2150-Y2192 AromaticContact CE1-CG 3.41Å; Y2150-Y2192 HydrophobicContact CE1-CG 3.41Å; Y2150-Y2192 VanDerWaalsContact CE1-CG 3.41Å; Y2150-Y2192 HydrophobicContact CE2-CG 4.11Å; Y2150-Y2192 HydrophobicContact CG-CD1 4.41Å; Y2150-Y2192 AromaticContact CG-CD2 3.55Å; Y2150-Y2192 HydrophobicContact CG-CD2 3.55Å; Y2150-Y2192 AromaticContact CG-CE2 3.95Å; Y2150-Y2192 HydrophobicContact CG-CE2 3.95Å; Y2150-Y2192 AromaticContact CG-CG 3.83Å; Y2150-Y2192 HydrophobicContact CG-CG 3.83Å; Y2150-Y2192 AromaticContact CZ-CG 3.78Å; V2189-Y2192 HydrophobicContact CB-CD2 4.05Å; V2189-Y2192 WeakPolarHBondContact O-CB 3.37Å; V2189-Y2192 WeakPolarHBondContact O-CD2 3.42Å; V2189-Y2192 PolarHBondContact O-N 3.24Å; L2190-Y2192 PolarHBondContact O-N 2.84Å; L2190-Y2192 VanDerWaalsContact O-N 3.15Å; Y2192-F2194 PolarHBondContact O-N 2.72Å; Y2192-L2195 HydrophobicContact CD1-CD1 3.86Å; Y2192-L2195 HydrophobicContact CE1-CD1 4.42Å; Y2192-L2195 WeakPolarHBondContact O-CB 3.46Å; Y2192-L2195 PolarHBondContact O-N 3.26Å; Y2192-E2196 PolarHBondContact O-N 3.28Å |
| 2193 | F | 91.4 | Very high | 87.3 | Confident | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -54 | -43 | 174 | 176.2 | -94.2 | 0 | 0 | 0 | 111.4 | V2133 W2138 L2190 A2191 L2195 E2196 Q2197 F2198 L2237 | V2133-F2193 HydrophobicContact CG1-CE2 4.29Å; W2138-F2193 HydrophobicContact CD2-CD2 4Å; W2138-F2193 AromaticContact CE2-CD2 3.75Å; W2138-F2193 HydrophobicContact CG-CD2 4.27Å; W2138-F2193 HydrophobicContact CH2-CB 3.69Å; W2138-F2193 VanDerWaalsContact CZ2-CA 3.48Å; W2138-F2193 HydrophobicContact CZ2-CB 3.69Å; W2138-F2193 HydrophobicContact CZ2-CD2 4.16Å; W2138-F2193 HydrophobicContact CZ2-CG 4.44Å; W2138-F2193 HydrophobicContact CZ3-CB 4.16Å; W2138-F2193 AromaticContact NE1-CD2 3.8Å; L2190-F2193 HydrophobicContact CD1-CB 4.31Å; L2190-F2193 VanDerWaalsContact O-CB 3.27Å; L2190-F2193 WeakPolarHBondContact O-CB 3.46Å; L2190-F2193 PolarHBondContact O-N 3.13Å; A2191-F2193 VanDerWaalsContact C-N 3.26Å; A2191-F2193 PolarHBondContact O-N 3.37Å; F2193-L2195 VanDerWaalsContact C-N 3.3Å; F2193-L2195 PolarHBondContact O-N 2.89Å; F2193-E2196 PolarHBondContact O-N 3.47Å; F2193-Q2197 HydrophobicContact CD1-CG 4.42Å; F2193-Q2197 HydrophobicContact CD2-CG 4.22Å; F2193-Q2197 HydrophobicContact CE1-CG 4.1Å; F2193-Q2197 HydrophobicContact CE2-CG 3.89Å; F2193-Q2197 HydrophobicContact CG-CG 4.48Å; F2193-Q2197 HydrophobicContact CZ-CG 3.83Å; F2193-Q2197 WeakPolarHBondContact O-CG 3.21Å; F2193-Q2197 PolarHBondContact O-N 2.8Å; F2193-F2198 HydrophobicContact CE1-CE2 4.42Å; F2193-L2237 HydrophobicContact CD2-CD1 4.02Å; F2193-L2237 HydrophobicContact CE1-CB 4.49Å; F2193-L2237 HydrophobicContact CE1-CD1 4.47Å; F2193-L2237 HydrophobicContact CE2-CB 4.23Å; F2193-L2237 HydrophobicContact CE2-CD1 3.98Å; F2193-L2237 HydrophobicContact CG-CD1 4.29Å; F2193-L2237 HydrophobicContact CZ-CB 3.93Å; F2193-L2237 HydrophobicContact CZ-CD1 4.21Å |
| 2194 | F | 91 | Very high | 87.2 | Confident | 1 Ų | 1 | 34.2 Ų | 34.2 | 0% | 0.004 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -71.8 | -26.8 | -178.5 | -60.5 | -88.3 | 0 | 0 | 0 | 112.4 | A2191 Y2192 F2198 R2208 Y2211 A2276 | A2191-F2194 PolarHBondContact O-N 2.84Å; Y2192-F2194 PolarHBondContact O-N 2.72Å; F2194-F2198 HydrophobicContact CB-CD2 4.43Å; F2194-F2198 HydrophobicContact CD1-CD2 4.12Å; F2194-F2198 HydrophobicContact CD1-CE2 4.1Å; F2194-F2198 CarbonylContact O-C 3.55Å; F2194-F2198 WeakPolarHBondContact O-CA 3.38Å; F2194-F2198 WeakPolarHBondContact O-CB 3.49Å; F2194-F2198 PolarHBondContact O-N 3.06Å; F2194-F2198 VanDerWaalsContact O-N 3.08Å; F2194-R2208 HydrophobicContact CD1-CB 4.1Å; F2194-R2208 HydrophobicContact CE1-CB 4.38Å; F2194-R2208 HydrophobicContact CG-CB 4.49Å; F2194-Y2211 HydrophobicContact CE1-CG 4.25Å; F2194-Y2211 HydrophobicContact CE2-CD1 4.38Å; F2194-Y2211 HydrophobicContact CE2-CG 4.32Å; F2194-Y2211 AromaticContact CZ-CD1 3.96Å; F2194-Y2211 HydrophobicContact CZ-CD1 3.96Å; F2194-Y2211 AromaticContact CZ-CD2 3.93Å; F2194-Y2211 HydrophobicContact CZ-CD2 3.93Å; F2194-Y2211 AromaticContact CZ-CG 3.51Å; F2194-Y2211 HydrophobicContact CZ-CG 3.51Å; F2194-A2276 HydrophobicContact CE2-CB 3.93Å |
| 2195 | L | 87.6 | Confident | 87.1 | Confident | 3 Ų | 3 | 29.9 Ų | 29.9 | 2% | 0.016 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -76.4 | -34.7 | 173.4 | -69 | 166.4 | 0 | 0 | 0 | 111.8 | Q1178 L1215 L1219 L1222 Y2192 F2193 W2204 | Q1178-L2195 HydrophobicContact CG-CB 4.03Å; L1215-L2195 HydrophobicContact CD1-CD2 3.49Å; L1215-L2195 VanDerWaalsContact CD1-CD2 3.49Å; L1219-L2195 HydrophobicContact CD2-CD1 4.15Å; L1219-L2195 HydrophobicContact CD2-CD2 4.24Å; L1222-L2195 HydrophobicContact CD1-CD1 3.62Å; Y2192-L2195 HydrophobicContact CD1-CD1 3.86Å; Y2192-L2195 HydrophobicContact CE1-CD1 4.42Å; Y2192-L2195 WeakPolarHBondContact O-CB 3.46Å; Y2192-L2195 PolarHBondContact O-N 3.26Å; F2193-L2195 VanDerWaalsContact C-N 3.3Å; F2193-L2195 PolarHBondContact O-N 2.89Å; L2195-W2204 VanDerWaalsContact CD2-NE1 3.29Å |
| 2196 | E | 84.4 | Confident | 86.7 | Confident | 4 Ų | 4 | 28 Ų | 28 | 2% | 0.019 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -73.3 | -38.2 | 176.6 | -72.6 | -173.3 | 163.3 | 0 | 0 | 114.3 | R1182 W2138 R2149 Y2150 Y2192 F2193 | R1182-E2196 PolarHBondContact NH1-O 3.06Å; W2138-E2196 WeakPolarHBondContact CZ2-OE2 3.18Å; W2138-E2196 PolarHBondContact NE1-OE2 3.06Å; W2138-E2196 VanDerWaalsContact NE1-OE2 3.08Å; R2149-E2196 IonicContact CZ-OE1 2.83Å; R2149-E2196 IonicContact CZ-OE2 3.52Å; R2149-E2196 IonicContact NE-OE1 2.71Å; R2149-E2196 PolarHBondContact NE-OE1 2.93Å; R2149-E2196 IonicContact NH2-OE1 3.47Å; R2149-E2196 PolarHBondContact NH2-OE1 2.7Å; R2149-E2196 IonicContact NH2-OE2 3.58Å; R2149-E2196 PolarHBondContact NH2-OE2 3.01Å; Y2150-E2196 HydrophobicContact CE2-CG 4.49Å; Y2150-E2196 WeakPolarHBondContact CE2-OE1 3.25Å; Y2150-E2196 VanDerWaalsContact OH-CG 3.29Å; Y2150-E2196 WeakPolarHBondContact OH-CG 3.12Å; Y2150-E2196 PolarHBondContact OH-OE1 3.24Å; Y2192-E2196 PolarHBondContact O-N 3.28Å; F2193-E2196 PolarHBondContact O-N 3.47Å |
| 2197 | Q | 85.3 | Confident | 86.5 | Confident | 33 Ų | 33 | 28.5 Ų | 28.5 | 15% | 0.154 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -93.1 | -29.5 | -176.8 | -53.8 | -51.7 | -30 | 0 | 0 | 112.7 | R1182 F2193 P2199 | R1182-Q2197 VanDerWaalsContact NH1-CD 3.27Å; F2193-Q2197 HydrophobicContact CD1-CG 4.42Å; F2193-Q2197 HydrophobicContact CD2-CG 4.22Å; F2193-Q2197 HydrophobicContact CE1-CG 4.1Å; F2193-Q2197 HydrophobicContact CE2-CG 3.89Å; F2193-Q2197 HydrophobicContact CG-CG 4.48Å; F2193-Q2197 HydrophobicContact CZ-CG 3.83Å; F2193-Q2197 WeakPolarHBondContact O-CG 3.21Å; F2193-Q2197 PolarHBondContact O-N 2.8Å; Q2197-P2199 WeakPolarHBondContact O-CD 3.29Å |
| 2198 | F | 86.9 | Confident | 86.5 | Confident | 15 Ų | 15 | 25 Ų | 25 | 7% | 0.066 | 13% | 0.13 | C | C | . | . | trans | -128.6 | 78.1 | -174.7 | -45.8 | -72.5 | 0 | 0 | 0 | 110.8 | F2193 F2194 N2200 N2203 W2204 S2207 K2239 | F2193-F2198 HydrophobicContact CE1-CE2 4.42Å; F2194-F2198 HydrophobicContact CB-CD2 4.43Å; F2194-F2198 HydrophobicContact CD1-CD2 4.12Å; F2194-F2198 HydrophobicContact CD1-CE2 4.1Å; F2194-F2198 CarbonylContact O-C 3.55Å; F2194-F2198 WeakPolarHBondContact O-CA 3.38Å; F2194-F2198 WeakPolarHBondContact O-CB 3.49Å; F2194-F2198 PolarHBondContact O-N 3.06Å; F2194-F2198 VanDerWaalsContact O-N 3.08Å; F2198-N2200 VanDerWaalsContact C-N 3.29Å; F2198-N2200 PolarHBondContact O-N 3.42Å; F2198-N2203 HydrophobicContact CB-CB 4.4Å; F2198-N2203 HydrophobicContact CD1-CB 4.44Å; F2198-W2204 HydrophobicContact CB-CB 4.15Å; F2198-W2204 WeakPolarHBondContact O-CB 3.47Å; F2198-S2207 WeakPolarHBondContact CD1-OG 3.44Å; F2198-S2207 VanDerWaalsContact CE1-OG 3.27Å; F2198-S2207 WeakPolarHBondContact CE1-OG 3.4Å; F2198-S2207 WeakPolarHBondContact CZ-OG 3.09Å; F2198-K2239 WeakPolarHBondContact CZ-O 3.31Å | ||
| 2199 | P | 78.4 | Confident | 86.2 | Confident | 26 Ų | 26 | 24 Ų | 24 | 17% | 0.169 | 12% | 0.123 | C | C | . | . | trans | -73 | -19.6 | 178.7 | 28.9 | -35.5 | 0 | 0 | 0 | 113.6 | F943 H1175 Q2197 | F943-P2199 HydrophobicContact CE1-CG 4.33Å; F943-P2199 HydrophobicContact CZ-CG 4.28Å; H1175-P2199 HydrophobicContact CB-CB 4.13Å; H1175-P2199 WeakPolarHBondContact CD2-CB 3.26Å; H1175-P2199 VanDerWaalsContact CD2-CG 3.49Å; H1175-P2199 WeakPolarHBondContact CD2-CG 3.47Å; Q2197-P2199 WeakPolarHBondContact O-CD 3.29Å | ||
| 2200 | N | 81 | Confident | 85.9 | Confident | 82 Ų | 82 | 24.7 Ų | 24.7 | 44% | 0.439 | 13% | 0.128 | S | C | . | . | S | Bend | trans | -76.6 | 124.7 | 173.8 | -178.5 | -62.5 | 0 | 0 | 0 | 110.4 | F2198 K2202 N2203 W2204 | F2198-N2200 VanDerWaalsContact C-N 3.29Å; F2198-N2200 PolarHBondContact O-N 3.42Å; N2200-K2202 VanDerWaalsContact C-N 3.25Å; N2200-K2202 PolarHBondContact O-N 3.39Å; N2200-K2202 VanDerWaalsContact O-N 3.11Å; N2200-K2202 WeakPolarHBondContact OD1-CB 3.29Å; N2200-K2202 PolarHBondContact OD1-N 2.85Å; N2200-N2203 HydrophobicContact CB-CB 4.38Å; N2200-N2203 PolarHBondContact O-N 2.87Å; N2200-N2203 VanDerWaalsContact O-N 3.16Å; N2200-W2204 WeakPolarHBondContact O-CB 3.3Å; N2200-W2204 PolarHBondContact O-N 2.75Å |
| 2201 | P | 84.1 | Confident | 85.9 | Confident | 9 Ų | 9 | 24.7 Ų | 24.7 | 6% | 0.058 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -54.3 | -32.7 | -176.4 | -23.6 | 28.6 | 0 | 0 | 0 | 115.4 | I1171 Q1211 E1212 L1215 F2205 | I1171-P2201 HydrophobicContact CD1-CG 4.19Å; I1171-P2201 HydrophobicContact CG1-CG 4.45Å; I1171-P2201 HydrophobicContact CG2-CG 4.3Å; Q1211-P2201 HydrophobicContact CB-CB 3.97Å; E1212-P2201 HydrophobicContact CG-CB 4.03Å; E1212-P2201 HydrophobicContact CG-CG 3.79Å; L1215-P2201 HydrophobicContact CD2-CB 4.32Å; L1215-P2201 HydrophobicContact CD2-CG 3.84Å; P2201-F2205 WeakPolarHBondContact O-CB 3.25Å; P2201-F2205 PolarHBondContact O-N 2.95Å; P2201-F2205 VanDerWaalsContact O-N 3.15Å |
| 2202 | K | 80.8 | Confident | 85.9 | Confident | 100 Ų | 100 | 24.5 Ų | 24.5 | 44% | 0.435 | 13% | 0.127 | S | C | . | . | H | α-helix | trans | -71.4 | -50.2 | 179.2 | -170.2 | 178.3 | -179.9 | 179.3 | 0 | 110.8 | N2200 W2204 F2205 V2206 | N2200-K2202 VanDerWaalsContact C-N 3.25Å; N2200-K2202 PolarHBondContact O-N 3.39Å; N2200-K2202 VanDerWaalsContact O-N 3.11Å; N2200-K2202 WeakPolarHBondContact OD1-CB 3.29Å; N2200-K2202 PolarHBondContact OD1-N 2.85Å; K2202-W2204 VanDerWaalsContact C-N 3.33Å; K2202-W2204 PolarHBondContact O-N 2.74Å; K2202-F2205 PolarHBondContact O-N 3.28Å; K2202-V2206 WeakPolarHBondContact O-CG2 3.47Å; K2202-V2206 PolarHBondContact O-N 3.35Å |
| 2203 | N | 81.6 | Confident | 85.8 | Confident | 90 Ų | 90 | 24.1 Ų | 24.1 | 48% | 0.481 | 13% | 0.125 | S | C | . | . | H | α-helix | trans | -67.9 | -36.4 | 179.3 | -62.1 | 8 | 0 | 0 | 0 | 111.4 | F2198 N2200 V2206 S2207 | F2198-N2203 HydrophobicContact CB-CB 4.4Å; F2198-N2203 HydrophobicContact CD1-CB 4.44Å; N2200-N2203 HydrophobicContact CB-CB 4.38Å; N2200-N2203 PolarHBondContact O-N 2.87Å; N2200-N2203 VanDerWaalsContact O-N 3.16Å; N2203-V2206 PolarHBondContact O-N 3.47Å; N2203-S2207 VanDerWaalsContact O-CB 3.28Å; N2203-S2207 WeakPolarHBondContact O-CB 3.19Å; N2203-S2207 PolarHBondContact O-N 3.34Å; N2203-S2207 PolarHBondContact O-OG 3.14Å |
| 2204 | W | 89.2 | Confident | 85.7 | Confident | 4 Ų | 4 | 24.2 Ų | 24.2 | 2% | 0.015 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -55.8 | -46.4 | 172.7 | 176.2 | 89.2 | 0 | 0 | 0 | 112.4 | R1214 L1215 E1218 L2195 F2198 N2200 K2202 R2208 | R1214-W2204 HydrophobicContact CB-CH2 4.37Å; R1214-W2204 HydrophobicContact CB-CZ3 4.04Å; R1214-W2204 HydrophobicContact CG-CH2 4.13Å; R1214-W2204 HydrophobicContact CG-CZ3 4.06Å; L1215-W2204 VanDerWaalsContact CA-CH2 3.42Å; L1215-W2204 HydrophobicContact CB-CE3 4.38Å; L1215-W2204 HydrophobicContact CB-CH2 4.11Å; L1215-W2204 HydrophobicContact CB-CZ2 4.3Å; L1215-W2204 HydrophobicContact CB-CZ3 4.15Å; L1215-W2204 HydrophobicContact CD1-CD2 4.09Å; L1215-W2204 HydrophobicContact CD1-CH2 4.37Å; L1215-W2204 HydrophobicContact CD1-CZ2 3.69Å; E1218-W2204 HydrophobicContact CB-CH2 3.97Å; E1218-W2204 HydrophobicContact CB-CZ2 3.92Å; E1218-W2204 HydrophobicContact CG-CH2 3.99Å; E1218-W2204 HydrophobicContact CG-CZ2 4.33Å; E1218-W2204 WeakPolarHBondContact OE2-CH2 3.29Å; E1218-W2204 WeakPolarHBondContact OE2-CZ2 3.03Å; L2195-W2204 VanDerWaalsContact CD2-NE1 3.29Å; F2198-W2204 HydrophobicContact CB-CB 4.15Å; F2198-W2204 WeakPolarHBondContact O-CB 3.47Å; N2200-W2204 WeakPolarHBondContact O-CB 3.3Å; N2200-W2204 PolarHBondContact O-N 2.75Å; K2202-W2204 VanDerWaalsContact C-N 3.33Å; K2202-W2204 PolarHBondContact O-N 2.74Å; W2204-R2208 VanDerWaalsContact CD2-NH2 3.34Å; W2204-R2208 VanDerWaalsContact CE2-NH1 3.34Å; W2204-R2208 PolarHBondContact O-N 2.63Å; W2204-R2208 PolarHBondContact O-NH2 3.32Å |
| 2205 | F | 84.9 | Confident | 85.8 | Confident | 47 Ų | 47 | 24.3 Ų | 24.3 | 21% | 0.206 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -68.1 | -53.2 | 177.7 | -179.1 | -104.4 | 0 | 0 | 0 | 111.4 | Q1211 P2201 K2202 S2207 R2208 M2209 | Q1211-F2205 HydrophobicContact CG-CB 4.31Å; P2201-F2205 WeakPolarHBondContact O-CB 3.25Å; P2201-F2205 PolarHBondContact O-N 2.95Å; P2201-F2205 VanDerWaalsContact O-N 3.15Å; K2202-F2205 PolarHBondContact O-N 3.28Å; F2205-S2207 VanDerWaalsContact C-N 3.34Å; F2205-S2207 PolarHBondContact O-N 2.69Å; F2205-R2208 PolarHBondContact O-N 2.78Å; F2205-M2209 HydrophobicContact CD1-CG 4.29Å; F2205-M2209 HydrophobicContact CD2-CE 3.99Å; F2205-M2209 HydrophobicContact CD2-CG 4.5Å; F2205-M2209 HydrophobicContact CE1-CG 3.93Å; F2205-M2209 HydrophobicContact CE2-CE 3.69Å; F2205-M2209 HydrophobicContact CE2-CG 4.15Å; F2205-M2209 HydrophobicContact CE2-SD 4.04Å; F2205-M2209 HydrophobicContact CZ-CE 4.28Å; F2205-M2209 HydrophobicContact CZ-CG 3.86Å; F2205-M2209 HydrophobicContact CZ-SD 4.02Å; F2205-M2209 WeakPolarHBondContact O-CG 3.22Å; F2205-M2209 PolarHBondContact O-N 3.28Å |
| 2206 | V | 82.2 | Confident | 86 | Confident | 50 Ų | 50 | 24.1 Ų | 24.1 | 30% | 0.303 | 13% | 0.125 | S | C | . | . | H | α-helix | trans | -55.8 | -47.4 | -179 | 172.5 | 0 | 0 | 0 | 0 | 111.4 | D2106 K2202 N2203 R2208 M2209 A2210 | D2106-V2206 HydrophobicContact CB-CG1 4.36Å; K2202-V2206 WeakPolarHBondContact O-CG2 3.47Å; K2202-V2206 PolarHBondContact O-N 3.35Å; N2203-V2206 PolarHBondContact O-N 3.47Å; V2206-R2208 PolarHBondContact O-N 3.18Å; V2206-M2209 PolarHBondContact O-N 3.43Å; V2206-M2209 VanDerWaalsContact O-N 3.16Å; V2206-A2210 PolarHBondContact O-N 3.06Å |
| 2207 | S | 86.6 | Confident | 86.4 | Confident | 9 Ų | 9 | 24 Ų | 24 | 6% | 0.063 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -68.8 | -31.2 | -177.8 | -51.4 | 0 | 0 | 0 | 0 | 113 | F2198 N2203 F2205 Y2211 T2241 | F2198-S2207 WeakPolarHBondContact CD1-OG 3.44Å; F2198-S2207 VanDerWaalsContact CE1-OG 3.27Å; F2198-S2207 WeakPolarHBondContact CE1-OG 3.4Å; F2198-S2207 WeakPolarHBondContact CZ-OG 3.09Å; N2203-S2207 VanDerWaalsContact O-CB 3.28Å; N2203-S2207 WeakPolarHBondContact O-CB 3.19Å; N2203-S2207 PolarHBondContact O-N 3.34Å; N2203-S2207 PolarHBondContact O-OG 3.14Å; F2205-S2207 VanDerWaalsContact C-N 3.34Å; F2205-S2207 PolarHBondContact O-N 2.69Å; S2207-Y2211 PolarHBondContact O-N 2.71Å; S2207-T2241 WeakPolarHBondContact CA-O 3.36Å |
| 2208 | R | 87.9 | Confident | 86.7 | Confident | 1 Ų | 1 | 22.5 Ų | 22.5 | 0% | 0.004 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -72.3 | -36.7 | 170.8 | -168 | 177.5 | -54.6 | 100.7 | 42.4 | 112 | E1218 F2194 W2204 F2205 V2206 A2210 Y2211 I2212 A2276 | E1218-R2208 IonicContact OE1-NH1 2.73Å; E1218-R2208 PolarHBondContact OE1-NH1 3.18Å; E1218-R2208 IonicContact OE2-CZ 3.85Å; E1218-R2208 IonicContact OE2-NE 2.69Å; E1218-R2208 IonicContact OE2-NH1 3.41Å; E1218-R2208 PolarHBondContact OE2-NH1 3.39Å; F2194-R2208 HydrophobicContact CD1-CB 4.1Å; F2194-R2208 HydrophobicContact CE1-CB 4.38Å; F2194-R2208 HydrophobicContact CG-CB 4.49Å; W2204-R2208 VanDerWaalsContact CD2-NH2 3.34Å; W2204-R2208 VanDerWaalsContact CE2-NH1 3.34Å; W2204-R2208 PolarHBondContact O-N 2.63Å; W2204-R2208 PolarHBondContact O-NH2 3.32Å; F2205-R2208 PolarHBondContact O-N 2.78Å; V2206-R2208 PolarHBondContact O-N 3.18Å; R2208-A2210 VanDerWaalsContact C-N 3.3Å; R2208-A2210 PolarHBondContact O-N 3.09Å; R2208-Y2211 WeakPolarHBondContact O-CB 3.37Å; R2208-Y2211 PolarHBondContact O-N 2.75Å; R2208-I2212 HydrophobicContact CG-CD1 3.97Å; R2208-I2212 HydrophobicContact CG-CG1 4.29Å; R2208-I2212 VanDerWaalsContact O-CG1 3.23Å; R2208-I2212 WeakPolarHBondContact O-CG1 3.38Å; R2208-I2212 PolarHBondContact O-N 2.64Å; R2208-A2276 WeakPolarHBondContact CD-O 3.13Å; R2208-A2276 WeakPolarHBondContact CG-O 3.25Å |
| 2209 | M | 84.2 | Confident | 87 | Confident | 4 Ų | 4 | 21.9 Ų | 21.9 | 2% | 0.02 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -63.9 | -38.9 | 173.6 | -62.3 | -51.4 | 108.6 | 0 | 0 | 111 | W2102 F2205 V2206 I2212 R2213 | W2102-M2209 HydrophobicContact CZ2-SD 4.14Å; W2102-M2209 PolarHBondContact NE1-SD 3.4Å; F2205-M2209 HydrophobicContact CD1-CG 4.29Å; F2205-M2209 HydrophobicContact CD2-CE 3.99Å; F2205-M2209 HydrophobicContact CD2-CG 4.5Å; F2205-M2209 HydrophobicContact CE1-CG 3.93Å; F2205-M2209 HydrophobicContact CE2-CE 3.69Å; F2205-M2209 HydrophobicContact CE2-CG 4.15Å; F2205-M2209 HydrophobicContact CE2-SD 4.04Å; F2205-M2209 HydrophobicContact CZ-CE 4.28Å; F2205-M2209 HydrophobicContact CZ-CG 3.86Å; F2205-M2209 HydrophobicContact CZ-SD 4.02Å; F2205-M2209 WeakPolarHBondContact O-CG 3.22Å; F2205-M2209 PolarHBondContact O-N 3.28Å; V2206-M2209 PolarHBondContact O-N 3.43Å; V2206-M2209 VanDerWaalsContact O-N 3.16Å; M2209-I2212 HydrophobicContact CE-CD1 3.6Å; M2209-I2212 PolarHBondContact O-N 3.48Å; M2209-I2212 HydrophobicContact SD-CD1 4.09Å; M2209-R2213 WeakPolarHBondContact O-CB 3.45Å; M2209-R2213 WeakPolarHBondContact O-CG 3.29Å; M2209-R2213 PolarHBondContact O-N 3.37Å |
| 2210 | A | 86.1 | Confident | 87.7 | Confident | 14 Ų | 14 | 20.7 Ų | 20.7 | 12% | 0.116 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -64.3 | -39.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | V2206 R2208 S2214 T2241 E2243 | V2206-A2210 PolarHBondContact O-N 3.06Å; R2208-A2210 VanDerWaalsContact C-N 3.3Å; R2208-A2210 PolarHBondContact O-N 3.09Å; A2210-S2214 WeakPolarHBondContact O-CB 3.48Å; A2210-S2214 PolarHBondContact O-N 3.38Å; A2210-S2214 PolarHBondContact O-OG 3.43Å; A2210-T2241 WeakPolarHBondContact CB-O 3.41Å; A2210-E2243 HydrophobicContact CB-CG 3.98Å |
| 2211 | Y | 91.4 | Very high | 88.1 | Confident | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -59.3 | -56.4 | 169.8 | 173.2 | -105.6 | 0 | 0 | 0 | 112.1 | F2194 S2207 R2208 R2213 S2214 I2215 L2237 G2242 I2244 L2273 A2276 L2277 | F2194-Y2211 HydrophobicContact CE1-CG 4.25Å; F2194-Y2211 HydrophobicContact CE2-CD1 4.38Å; F2194-Y2211 HydrophobicContact CE2-CG 4.32Å; F2194-Y2211 AromaticContact CZ-CD1 3.96Å; F2194-Y2211 HydrophobicContact CZ-CD1 3.96Å; F2194-Y2211 AromaticContact CZ-CD2 3.93Å; F2194-Y2211 HydrophobicContact CZ-CD2 3.93Å; F2194-Y2211 AromaticContact CZ-CG 3.51Å; F2194-Y2211 HydrophobicContact CZ-CG 3.51Å; S2207-Y2211 PolarHBondContact O-N 2.71Å; R2208-Y2211 WeakPolarHBondContact O-CB 3.37Å; R2208-Y2211 PolarHBondContact O-N 2.75Å; Y2211-R2213 VanDerWaalsContact C-N 3.26Å; Y2211-R2213 PolarHBondContact O-N 3.01Å; Y2211-S2214 PolarHBondContact O-N 3.22Å; Y2211-S2214 PolarHBondContact O-OG 2.98Å; Y2211-I2215 HydrophobicContact CE1-CG2 4.49Å; Y2211-I2215 HydrophobicContact CE2-CD1 4.42Å; Y2211-I2215 VanDerWaalsContact O-CG2 3.28Å; Y2211-I2215 WeakPolarHBondContact O-CG2 3.35Å; Y2211-I2215 PolarHBondContact O-N 2.82Å; Y2211-I2215 WeakPolarHBondContact OH-CD1 3.33Å; Y2211-L2237 HydrophobicContact CD2-CD2 4.29Å; Y2211-L2237 HydrophobicContact CE2-CD2 4.24Å; Y2211-G2242 WeakPolarHBondContact CB-O 3.43Å; Y2211-I2244 HydrophobicContact CE2-CB 4.49Å; Y2211-L2273 VanDerWaalsContact OH-CA 3.25Å; Y2211-L2273 WeakPolarHBondContact OH-CA 3.3Å; Y2211-L2273 WeakPolarHBondContact OH-CD2 3.39Å; Y2211-L2273 PolarHBondContact OH-O 2.97Å; Y2211-A2276 HydrophobicContact CD1-CB 4.08Å; Y2211-A2276 HydrophobicContact CE1-CB 3.37Å; Y2211-L2277 HydrophobicContact CD1-CD2 4.17Å; Y2211-L2277 HydrophobicContact CE1-CD2 3.7Å; Y2211-L2277 HydrophobicContact CE1-CG 4.48Å |
| 2212 | I | 89.8 | Confident | 88.4 | Confident | 1 Ų | 1 | 16.7 Ų | 16.7 | 1% | 0.005 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -57.2 | -40.1 | -178.6 | -63.8 | 161.4 | 0 | 0 | 0 | 111 | W2102 R2208 M2209 I2215 A2216 L2277 F2286 | W2102-I2212 HydrophobicContact CH2-CG2 3.79Å; W2102-I2212 HydrophobicContact CZ2-CB 4.34Å; W2102-I2212 HydrophobicContact CZ2-CG2 3.9Å; R2208-I2212 HydrophobicContact CG-CD1 3.97Å; R2208-I2212 HydrophobicContact CG-CG1 4.29Å; R2208-I2212 VanDerWaalsContact O-CG1 3.23Å; R2208-I2212 WeakPolarHBondContact O-CG1 3.38Å; R2208-I2212 PolarHBondContact O-N 2.64Å; M2209-I2212 HydrophobicContact CE-CD1 3.6Å; M2209-I2212 PolarHBondContact O-N 3.48Å; M2209-I2212 HydrophobicContact SD-CD1 4.09Å; I2212-I2215 WeakPolarHBondContact O-CG2 3.42Å; I2212-A2216 WeakPolarHBondContact O-CB 3.43Å; I2212-A2216 PolarHBondContact O-N 3.43Å; I2212-L2277 HydrophobicContact CB-CD2 4.22Å; I2212-L2277 HydrophobicContact CG1-CB 4.32Å; I2212-L2277 HydrophobicContact CG1-CD2 3.68Å; I2212-L2277 HydrophobicContact CG2-CD2 4.25Å; I2212-F2286 HydrophobicContact CG2-CB 4.44Å |
| 2213 | R | 86.3 | Confident | 88.9 | Confident | 13 Ų | 13 | 12.3 Ų | 12.3 | 5% | 0.049 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -63.4 | -60.6 | 173.4 | -77.3 | -171.2 | -117.1 | 140 | -3.4 | 111.6 | W2102 L2103 M2105 D2106 G2108 M2209 Y2211 I2215 A2216 V2217 | W2102-R2213 HydrophobicContact CH2-CG 4.22Å; W2102-R2213 HydrophobicContact CZ2-CG 4.38Å; W2102-R2213 PolarHBondContact O-NE 2.91Å; L2103-R2213 HydrophobicContact CD2-CG 3.85Å; L2103-R2213 WeakPolarHBondContact O-CD 3.49Å; M2105-R2213 PolarHBondContact O-NH1 2.8Å; M2105-R2213 PolarHBondContact O-NH2 3.24Å; D2106-R2213 PolarHBondContact O-NH1 3.45Å; G2108-R2213 PolarHBondContact O-NH1 3.25Å; G2108-R2213 VanDerWaalsContact O-NH1 3.08Å; M2209-R2213 WeakPolarHBondContact O-CB 3.45Å; M2209-R2213 WeakPolarHBondContact O-CG 3.29Å; M2209-R2213 PolarHBondContact O-N 3.37Å; Y2211-R2213 VanDerWaalsContact C-N 3.26Å; Y2211-R2213 PolarHBondContact O-N 3.01Å; R2213-I2215 VanDerWaalsContact C-N 3.34Å; R2213-I2215 PolarHBondContact O-N 3.36Å; R2213-A2216 WeakPolarHBondContact O-CB 3.23Å; R2213-A2216 PolarHBondContact O-N 3.3Å; R2213-V2217 VanDerWaalsContact O-CG2 3.22Å; R2213-V2217 WeakPolarHBondContact O-CG2 3.26Å; R2213-V2217 PolarHBondContact O-N 3.44Å; R2213-V2217 VanDerWaalsContact O-N 3.09Å |
| 2214 | S | 90.6 | Very high | 89.2 | Confident | 3 Ų | 3 | 8.4 Ų | 8.4 | 2% | 0.021 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -56.4 | -44.9 | -173 | 53 | 0 | 0 | 0 | 0 | 112.5 | A2210 Y2211 A2216 V2217 T2218 E2243 I2244 | A2210-S2214 WeakPolarHBondContact O-CB 3.48Å; A2210-S2214 PolarHBondContact O-N 3.38Å; A2210-S2214 PolarHBondContact O-OG 3.43Å; Y2211-S2214 PolarHBondContact O-N 3.22Å; Y2211-S2214 PolarHBondContact O-OG 2.98Å; S2214-A2216 VanDerWaalsContact C-N 3.33Å; S2214-A2216 PolarHBondContact O-N 3.12Å; S2214-V2217 PolarHBondContact O-N 3.14Å; S2214-T2218 WeakPolarHBondContact O-CG2 3.12Å; S2214-T2218 PolarHBondContact O-N 3.09Å; S2214-T2218 PolarHBondContact O-OG1 3.03Å; S2214-E2243 WeakPolarHBondContact OG-CA 3.28Å; S2214-I2244 PolarHBondContact OG-N 3.17Å |
| 2215 | I | 93.2 | Very high | 89 | Confident | 2 Ų | 2 | 8.4 Ų | 8.4 | 1% | 0.01 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -65 | -33.2 | 177.9 | -166 | 174.7 | 0 | 0 | 0 | 113 | Y2211 I2212 R2213 T2218 S2219 I2244 L2273 L2277 F2286 | Y2211-I2215 HydrophobicContact CE1-CG2 4.49Å; Y2211-I2215 HydrophobicContact CE2-CD1 4.42Å; Y2211-I2215 VanDerWaalsContact O-CG2 3.28Å; Y2211-I2215 WeakPolarHBondContact O-CG2 3.35Å; Y2211-I2215 PolarHBondContact O-N 2.82Å; Y2211-I2215 WeakPolarHBondContact OH-CD1 3.33Å; I2212-I2215 WeakPolarHBondContact O-CG2 3.42Å; R2213-I2215 VanDerWaalsContact C-N 3.34Å; R2213-I2215 PolarHBondContact O-N 3.36Å; I2215-T2218 PolarHBondContact O-OG1 3.46Å; I2215-S2219 WeakPolarHBondContact O-CB 3.17Å; I2215-S2219 PolarHBondContact O-N 2.88Å; I2215-S2219 PolarHBondContact O-OG 3.39Å; I2215-I2244 HydrophobicContact CB-CG2 3.81Å; I2215-I2244 HydrophobicContact CG1-CG2 4.31Å; I2215-L2273 HydrophobicContact CD1-CB 3.87Å; I2215-L2273 HydrophobicContact CD1-CD1 4.07Å; I2215-L2273 HydrophobicContact CD1-CD2 3.93Å; I2215-L2273 HydrophobicContact CD1-CG 4.17Å; I2215-L2277 HydrophobicContact CG2-CD2 4.15Å; I2215-F2286 HydrophobicContact CG1-CE2 4.46Å; I2215-F2286 HydrophobicContact CG2-CD2 3.93Å; I2215-F2286 HydrophobicContact CG2-CE2 4.16Å |
| 2216 | A | 91.8 | Very high | 88.9 | Confident | 0 Ų | 0 | 6.4 Ų | 6.4 | 0% | 0 | 4% | 0.04 | C | C | . | . | H | α-helix | trans | -69 | -40.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | I2212 R2213 S2214 V2220 F2286 A2289 A2290 | I2212-A2216 WeakPolarHBondContact O-CB 3.43Å; I2212-A2216 PolarHBondContact O-N 3.43Å; R2213-A2216 WeakPolarHBondContact O-CB 3.23Å; R2213-A2216 PolarHBondContact O-N 3.3Å; S2214-A2216 VanDerWaalsContact C-N 3.33Å; S2214-A2216 PolarHBondContact O-N 3.12Å; A2216-V2220 WeakPolarHBondContact O-CG2 3.34Å; A2216-V2220 PolarHBondContact O-N 3.18Å; A2216-F2286 HydrophobicContact CB-CD2 3.78Å; A2216-F2286 HydrophobicContact CB-CE2 3.94Å; A2216-F2286 HydrophobicContact CB-CG 4.33Å; A2216-A2289 HydrophobicContact CB-CB 3.4Å; A2216-A2290 HydrophobicContact CB-CB 4.44Å |
| 2217 | V | 91.3 | Very high | 89.1 | Confident | 0 Ų | 0 | 4.7 Ų | 4.7 | 0% | 0 | 3% | 0.029 | C | C | . | . | H | α-helix | trans | -67.1 | -47.4 | 176.7 | -150.6 | 0 | 0 | 0 | 0 | 111.1 | L2074 I2109 I2111 R2213 S2214 S2219 V2220 V2221 V2293 | L2074-V2217 HydrophobicContact CD1-CG1 3.75Å; I2109-V2217 HydrophobicContact CG2-CG1 4.3Å; I2109-V2217 HydrophobicContact CG2-CG2 3.44Å; I2109-V2217 VanDerWaalsContact CG2-CG2 3.44Å; I2111-V2217 HydrophobicContact CD1-CB 4.49Å; I2111-V2217 HydrophobicContact CD1-CG1 4.14Å; I2111-V2217 HydrophobicContact CG1-CB 3.76Å; I2111-V2217 HydrophobicContact CG1-CG1 3.62Å; R2213-V2217 VanDerWaalsContact O-CG2 3.22Å; R2213-V2217 WeakPolarHBondContact O-CG2 3.26Å; R2213-V2217 PolarHBondContact O-N 3.44Å; R2213-V2217 VanDerWaalsContact O-N 3.09Å; S2214-V2217 PolarHBondContact O-N 3.14Å; V2217-S2219 VanDerWaalsContact C-N 3.28Å; V2217-S2219 PolarHBondContact O-N 2.87Å; V2217-V2220 PolarHBondContact O-N 2.94Å; V2217-V2221 HydrophobicContact CG1-CG2 4.15Å; V2217-V2221 WeakPolarHBondContact O-CB 3.46Å; V2217-V2221 WeakPolarHBondContact O-CG2 3.29Å; V2217-V2221 PolarHBondContact O-N 3.21Å; V2217-V2293 HydrophobicContact CB-CG2 4.29Å; V2217-V2293 HydrophobicContact CG1-CG1 3.9Å; V2217-V2293 HydrophobicContact CG1-CG2 3.89Å; V2217-V2293 HydrophobicContact CG2-CG2 4.16Å |
| 2218 | T | 91.9 | Very high | 89 | Confident | 2 Ų | 2 | 4.5 Ų | 4.5 | 1% | 0.012 | 3% | 0.028 | C | C | . | . | H | α-helix | trans | -67.1 | -29.7 | -179.6 | 63.9 | 0 | 0 | 0 | 0 | 112.3 | I2111 S2214 I2215 G2222 H2246 | I2111-T2218 HydrophobicContact CD1-CG2 4.34Å; I2111-T2218 HydrophobicContact CG1-CG2 4Å; I2111-T2218 HydrophobicContact CG2-CG2 4.4Å; S2214-T2218 WeakPolarHBondContact O-CG2 3.12Å; S2214-T2218 PolarHBondContact O-N 3.09Å; S2214-T2218 PolarHBondContact O-OG1 3.03Å; I2215-T2218 PolarHBondContact O-OG1 3.46Å; T2218-G2222 VanDerWaalsContact O-CA 3.24Å; T2218-G2222 WeakPolarHBondContact O-CA 3.47Å; T2218-G2222 PolarHBondContact O-N 3.29Å; T2218-H2246 VanDerWaalsContact CB-CE1 3.5Å; T2218-H2246 WeakPolarHBondContact CB-CE1 3.4Å; T2218-H2246 VanDerWaalsContact CB-NE2 3.31Å; T2218-H2246 WeakPolarHBondContact CB-NE2 3.44Å; T2218-H2246 PolarHBondContact OG1-CE1 3.06Å; T2218-H2246 PolarHBondContact OG1-NE2 3.31Å |
| 2219 | S | 93.2 | Very high | 88.8 | Confident | 2 Ų | 2 | 4.8 Ų | 4.8 | 1% | 0.014 | 3% | 0.03 | C | C | . | . | H | α-helix | trans | -67.1 | -51.9 | 172 | -66.9 | 0 | 0 | 0 | 0 | 112.5 | I2215 V2217 G2222 Y2223 F2267 | I2215-S2219 WeakPolarHBondContact O-CB 3.17Å; I2215-S2219 PolarHBondContact O-N 2.88Å; I2215-S2219 PolarHBondContact O-OG 3.39Å; V2217-S2219 VanDerWaalsContact C-N 3.28Å; V2217-S2219 PolarHBondContact O-N 2.87Å; S2219-G2222 PolarHBondContact O-N 3.19Å; S2219-Y2223 PolarHBondContact O-N 2.9Å; S2219-F2267 VanDerWaalsContact CB-CD2 3.47Å; S2219-F2267 WeakPolarHBondContact O-CD1 3.39Å; S2219-F2267 WeakPolarHBondContact OG-CD2 3.45Å |
| 2220 | V | 93 | Very high | 89 | Confident | 1 Ų | 1 | 5 Ų | 5 | 1% | 0.006 | 3% | 0.03 | C | C | . | . | H | α-helix | trans | -70.7 | -46.1 | -176.2 | 173.5 | 0 | 0 | 0 | 0 | 111.8 | A2216 V2217 G2222 Y2223 L2224 A2290 V2293 L2294 L2297 I2440 | A2216-V2220 WeakPolarHBondContact O-CG2 3.34Å; A2216-V2220 PolarHBondContact O-N 3.18Å; V2217-V2220 PolarHBondContact O-N 2.94Å; V2220-G2222 VanDerWaalsContact C-N 3.31Å; V2220-Y2223 PolarHBondContact O-N 3.17Å; V2220-L2224 HydrophobicContact CG1-CD1 4.13Å; V2220-L2224 VanDerWaalsContact O-CG 3.31Å; V2220-L2224 WeakPolarHBondContact O-CG 3.32Å; V2220-L2224 PolarHBondContact O-N 3.24Å; V2220-A2290 HydrophobicContact CG2-CB 3.55Å; V2220-V2293 HydrophobicContact CB-CB 4.4Å; V2220-V2293 HydrophobicContact CB-CG1 3.85Å; V2220-V2293 HydrophobicContact CG1-CB 4.37Å; V2220-V2293 HydrophobicContact CG1-CG1 3.77Å; V2220-L2294 HydrophobicContact CG1-CB 3.93Å; V2220-L2294 HydrophobicContact CG1-CD1 4.27Å; V2220-L2297 HydrophobicContact CG1-CD1 4.47Å; V2220-I2440 HydrophobicContact CG2-CD1 3.87Å |
| 2221 | V | 90.8 | Very high | 89 | Confident | 4 Ų | 4 | 5.2 Ų | 5.2 | 2% | 0.024 | 3% | 0.029 | C | C | . | . | H | α-helix | trans | -63.2 | -43.4 | 173.9 | 179 | 0 | 0 | 0 | 0 | 109.5 | F2067 A2070 I2111 V2217 Y2223 L2224 V2225 V2293 L2297 | F2067-V2221 HydrophobicContact CD1-CG1 3.75Å; F2067-V2221 HydrophobicContact CE1-CG1 3.68Å; A2070-V2221 HydrophobicContact CB-CG2 4.3Å; I2111-V2221 HydrophobicContact CD1-CB 3.68Å; I2111-V2221 HydrophobicContact CD1-CG1 3.92Å; I2111-V2221 HydrophobicContact CD1-CG2 3.7Å; V2217-V2221 HydrophobicContact CG1-CG2 4.15Å; V2217-V2221 WeakPolarHBondContact O-CB 3.46Å; V2217-V2221 WeakPolarHBondContact O-CG2 3.29Å; V2217-V2221 PolarHBondContact O-N 3.21Å; V2221-Y2223 VanDerWaalsContact C-N 3.33Å; V2221-Y2223 PolarHBondContact O-N 3.18Å; V2221-L2224 PolarHBondContact O-N 3.28Å; V2221-V2225 HydrophobicContact CG1-CG2 3.84Å; V2221-V2225 WeakPolarHBondContact O-CG2 3.39Å; V2221-V2225 PolarHBondContact O-N 2.79Å; V2221-V2293 HydrophobicContact CG2-CG1 4.35Å; V2221-L2297 HydrophobicContact CG2-CD1 3.65Å |
| 2222 | G | 89.8 | Confident | 88.9 | Confident | 4 Ų | 4 | 5.2 Ų | 5.2 | 4% | 0.041 | 3% | 0.029 | C | C | . | . | H | α-helix | trans | -54 | -45 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | T2218 S2219 V2220 G2226 L2227 | T2218-G2222 VanDerWaalsContact O-CA 3.24Å; T2218-G2222 WeakPolarHBondContact O-CA 3.47Å; T2218-G2222 PolarHBondContact O-N 3.29Å; S2219-G2222 PolarHBondContact O-N 3.19Å; V2220-G2222 VanDerWaalsContact C-N 3.31Å; G2222-G2226 CarbonylContact O-C 3.54Å; G2222-G2226 WeakPolarHBondContact O-CA 3.46Å; G2222-G2226 PolarHBondContact O-N 3.26Å; G2222-L2227 PolarHBondContact O-N 2.88Å |
| 2223 | Y | 90.9 | Very high | 88.7 | Confident | 8 Ų | 8 | 8.7 Ų | 8.7 | 3% | 0.031 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -63 | -46.4 | 172.4 | 163.2 | -106.3 | 0 | 0 | 0 | 112.8 | S2219 V2220 V2221 G2226 P2266 K2407 H2439 L2443 | S2219-Y2223 PolarHBondContact O-N 2.9Å; V2220-Y2223 PolarHBondContact O-N 3.17Å; V2221-Y2223 VanDerWaalsContact C-N 3.33Å; V2221-Y2223 PolarHBondContact O-N 3.18Å; Y2223-G2226 PolarHBondContact O-N 3.42Å; Y2223-P2266 HydrophobicContact CD2-CB 3.73Å; Y2223-P2266 HydrophobicContact CE2-CB 4.38Å; Y2223-P2266 HydrophobicContact CG-CB 4.49Å; Y2223-K2407 HydrophobicContact CE1-CB 3.98Å; Y2223-K2407 HydrophobicContact CE1-CD 4.04Å; Y2223-K2407 HydrophobicContact CE1-CG 4.08Å; Y2223-K2407 HydrophobicContact CE2-CD 4.07Å; Y2223-K2407 HydrophobicContact CE2-CG 4.42Å; Y2223-K2407 WeakPolarHBondContact O-CD 3.43Å; Y2223-K2407 PolarHBondContact O-NZ 3.25Å; Y2223-K2407 WeakPolarHBondContact OH-CG 3.21Å; Y2223-H2439 AromaticContact CE1-NE2 3.53Å; Y2223-H2439 AromaticContact CZ-NE2 3.66Å; Y2223-H2439 PolarHBondContact OH-NE2 2.88Å; Y2223-H2439 VanDerWaalsContact OH-NE2 3.16Å; Y2223-L2443 HydrophobicContact CD1-CD1 3.59Å; Y2223-L2443 HydrophobicContact CD1-CD2 4.31Å; Y2223-L2443 HydrophobicContact CD2-CD1 4.44Å; Y2223-L2443 HydrophobicContact CD2-CD2 3.75Å; Y2223-L2443 HydrophobicContact CE1-CD1 3.61Å; Y2223-L2443 HydrophobicContact CE1-CD2 4.05Å; Y2223-L2443 HydrophobicContact CE1-CG 4.46Å; Y2223-L2443 HydrophobicContact CE2-CD1 4.46Å; Y2223-L2443 HydrophobicContact CE2-CD2 3.43Å; Y2223-L2443 VanDerWaalsContact CE2-CD2 3.43Å; Y2223-L2443 HydrophobicContact CG-CD1 4.02Å; Y2223-L2443 HydrophobicContact CG-CD2 4.16Å |
| 2224 | L | 88 | Confident | 88.8 | Confident | 8 Ų | 8 | 8.6 Ų | 8.6 | 4% | 0.042 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -60.9 | -47.6 | -177.5 | -73.1 | 170.2 | 0 | 0 | 0 | 111.7 | V2220 V2221 L2294 L2297 K2407 L2408 | V2220-L2224 HydrophobicContact CG1-CD1 4.13Å; V2220-L2224 VanDerWaalsContact O-CG 3.31Å; V2220-L2224 WeakPolarHBondContact O-CG 3.32Å; V2220-L2224 PolarHBondContact O-N 3.24Å; V2221-L2224 PolarHBondContact O-N 3.28Å; L2224-L2294 HydrophobicContact CD1-CD1 4.27Å; L2224-L2294 HydrophobicContact CD2-CD1 4.17Å; L2224-L2297 HydrophobicContact CD1-CB 3.92Å; L2224-L2297 HydrophobicContact CD1-CD1 3.51Å; L2224-L2297 HydrophobicContact CD1-CG 4.37Å; L2224-K2407 HydrophobicContact CD2-CB 3.84Å; L2224-L2408 HydrophobicContact CD1-CD2 3.97Å; L2224-L2408 HydrophobicContact CD2-CD2 3.73Å; L2224-L2408 HydrophobicContact CD2-CG 4.07Å; L2224-L2408 HydrophobicContact CG-CD2 4.43Å |
| 2225 | V | 84.3 | Confident | 88.8 | Confident | 4 Ų | 4 | 8.5 Ų | 8.5 | 2% | 0.024 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -83.8 | -5 | 175.4 | -118.7 | 0 | 0 | 0 | 0 | 114.1 | M2063 V2066 V2221 F2253 L2308 | M2063-V2225 HydrophobicContact CE-CB 3.75Å; M2063-V2225 HydrophobicContact CE-CG1 3.96Å; M2063-V2225 HydrophobicContact CE-CG2 4.17Å; M2063-V2225 HydrophobicContact SD-CB 4.37Å; M2063-V2225 HydrophobicContact SD-CG1 3.91Å; V2066-V2225 HydrophobicContact CG1-CG2 4.34Å; V2221-V2225 HydrophobicContact CG1-CG2 3.84Å; V2221-V2225 WeakPolarHBondContact O-CG2 3.39Å; V2221-V2225 PolarHBondContact O-N 2.79Å; V2225-F2253 HydrophobicContact CG1-CD1 4.43Å; V2225-F2253 HydrophobicContact CG1-CE1 3.66Å; V2225-F2253 HydrophobicContact CG1-CZ 3.93Å; V2225-F2253 VanDerWaalsContact O-CA 3.25Å; V2225-F2253 WeakPolarHBondContact O-CA 3.47Å; V2225-F2253 PolarHBondContact O-N 3.39Å; V2225-L2308 HydrophobicContact CG1-CD2 4.31Å |
| 2226 | G | 84.1 | Confident | 88.8 | Confident | 5 Ų | 5 | 9 Ų | 9 | 5% | 0.052 | 5% | 0.047 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 69.5 | 45.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | G2222 Y2223 A2252 F2253 D2254 | G2222-G2226 CarbonylContact O-C 3.54Å; G2222-G2226 WeakPolarHBondContact O-CA 3.46Å; G2222-G2226 PolarHBondContact O-N 3.26Å; Y2223-G2226 PolarHBondContact O-N 3.42Å; G2226-A2252 CarbonylContact O-C 3.57Å; G2226-F2253 PolarHBondContact O-N 3.13Å; G2226-F2253 VanDerWaalsContact O-N 3.13Å; G2226-D2254 WeakPolarHBondContact CA-OD1 3.48Å; G2226-D2254 PolarHBondContact O-N 3.35Å |
| 2227 | L | 87.1 | Confident | 88.9 | Confident | 14 Ų | 14 | 9.1 Ų | 9.1 | 7% | 0.073 | 5% | 0.048 | C | C | . | . | trans | -74.5 | 117.7 | -178.1 | -92.4 | 157.5 | 0 | 0 | 0 | 113.3 | M2063 F2067 G2222 L2249 V2251 | M2063-L2227 HydrophobicContact CE-CD1 3.72Å; M2063-L2227 HydrophobicContact CE-CD2 3.76Å; M2063-L2227 HydrophobicContact CE-CG 3.5Å; F2067-L2227 HydrophobicContact CE1-CD1 4.06Å; F2067-L2227 HydrophobicContact CZ-CD1 3.74Å; G2222-L2227 PolarHBondContact O-N 2.88Å; L2227-L2249 HydrophobicContact CD1-CD2 4.32Å; L2227-L2249 HydrophobicContact CD2-CB 4.02Å; L2227-L2249 HydrophobicContact CD2-CD2 3.85Å; L2227-L2249 WeakPolarHBondContact CD2-O 3.5Å; L2227-V2251 WeakPolarHBondContact CA-O 3.46Å | ||
| 2228 | G | 83.1 | Confident | 88.8 | Confident | 4 Ų | 4 | 9.6 Ų | 9.6 | 4% | 0.041 | 5% | 0.05 | C | C | . | . | trans | -105.4 | -176.4 | 177 | 0 | 0 | 0 | 0 | 0 | 114.2 | R2230 V2251 E2263 | G2228-R2230 VanDerWaalsContact C-N 3.3Å; G2228-R2230 VanDerWaalsContact O-CZ 3.23Å; G2228-R2230 PolarHBondContact O-N 3.47Å; G2228-R2230 PolarHBondContact O-NE 2.64Å; G2228-R2230 PolarHBondContact O-NH2 2.73Å; G2228-V2251 PolarHBondContact N-O 3.4Å; G2228-E2263 WeakPolarHBondContact CA-OE2 3.46Å | ||
| 2229 | D | 83.6 | Confident | 88.6 | Confident | 7 Ų | 7 | 12 Ų | 12 | 4% | 0.037 | 6% | 0.06 | C | C | . | . | trans | 58.3 | 35.7 | -177 | -154.9 | 36.5 | 0 | 0 | 0 | 113.8 | H2231 N2234 V2251 E2263 R2333 | D2229-H2231 PolarHBondContact O-N 3.43Å; D2229-H2231 IonicContact OD1-CD2 3.78Å; D2229-N2234 PolarHBondContact O-ND2 3.43Å; D2229-V2251 HydrophobicContact CB-CB 4.35Å; D2229-V2251 HydrophobicContact CB-CG2 4.19Å; D2229-E2263 WeakPolarHBondContact CA-OE1 3.44Å; D2229-E2263 PolarHBondContact N-OE1 2.9Å; D2229-E2263 VanDerWaalsContact N-OE1 3.12Å; D2229-E2263 PolarHBondContact N-OE2 3.29Å; D2229-R2333 IonicContact OD1-CZ 3.24Å; D2229-R2333 IonicContact OD1-NE 2.72Å; D2229-R2333 PolarHBondContact OD1-NE 3.41Å; D2229-R2333 IonicContact OD1-NH2 3.03Å; D2229-R2333 PolarHBondContact OD1-NH2 3.49Å | ||
| 2230 | R | 88.7 | Confident | 88.2 | Confident | 8 Ų | 8 | 14.8 Ų | 14.8 | 3% | 0.03 | 8% | 0.08 | C | C | . | . | trans | -80 | 54 | 179.5 | -59.2 | -55.2 | 92.2 | -162 | 3 | 113.1 | G2228 I2247 D2248 R2268 W2460 | G2228-R2230 VanDerWaalsContact C-N 3.3Å; G2228-R2230 VanDerWaalsContact O-CZ 3.23Å; G2228-R2230 PolarHBondContact O-N 3.47Å; G2228-R2230 PolarHBondContact O-NE 2.64Å; G2228-R2230 PolarHBondContact O-NH2 2.73Å; R2230-I2247 PolarHBondContact NH1-O 2.97Å; R2230-D2248 PolarHBondContact NH2-O 3.1Å; R2230-R2268 HydrophobicContact CB-CB 4.32Å; R2230-R2268 PolarHBondContact O-NH1 2.78Å; R2230-W2460 PolarHBondContact O-NE1 3.36Å | ||
| 2231 | H | 86.8 | Confident | 87.8 | Confident | 19 Ų | 19 | 16.7 Ų | 16.7 | 9% | 0.088 | 9% | 0.092 | C | C | . | . | trans | -76.9 | 158.6 | 173.5 | 66.8 | 37.9 | 0 | 0 | 0 | 112.1 | D2229 H2233 N2234 | D2229-H2231 PolarHBondContact O-N 3.43Å; D2229-H2231 IonicContact OD1-CD2 3.78Å; H2231-H2233 PolarHBondContact ND1-N 2.71Å; H2231-H2233 PolarHBondContact O-N 2.84Å; H2231-N2234 PolarHBondContact CE1-ND2 3.37Å; H2231-N2234 VanDerWaalsContact CE1-ND2 3.26Å; H2231-N2234 PolarHBondContact CE1-OD1 3.1Å; H2231-N2234 PolarHBondContact ND1-N 3.3Å; H2231-N2234 PolarHBondContact O-N 3.04Å | ||
| 2232 | P | 87.7 | Confident | 87.7 | Confident | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 9% | 0.09 | C | C | . | . | G | 310 helix | trans | -57.6 | -23.1 | -170.5 | -29.5 | 38.1 | 0 | 0 | 0 | 117.1 | L2135 G2136 Q2461 | L2135-P2232 WeakPolarHBondContact CB-O 3.39Å; L2135-P2232 PolarHBondContact N-O 2.98Å; G2136-P2232 PolarHBondContact N-O 3.35Å; P2232-Q2461 HydrophobicContact CG-CB 4.29Å |
| 2233 | H | 85.9 | Confident | 87.7 | Confident | 74 Ų | 74 | 17 Ų | 17 | 34% | 0.343 | 9% | 0.092 | S | C | . | . | G | 310 helix | trans | -80.2 | -13.5 | 175.5 | -57.1 | 96.3 | 0 | 0 | 0 | 114 | H2231 L2235 | H2231-H2233 PolarHBondContact ND1-N 2.71Å; H2231-H2233 PolarHBondContact O-N 2.84Å; H2233-L2235 VanDerWaalsContact C-N 3.29Å |
| 2234 | N | 88.3 | Confident | 87.8 | Confident | 11 Ų | 11 | 16.7 Ų | 16.7 | 6% | 0.059 | 9% | 0.09 | C | C | . | . | G | 310 helix | trans | -93 | 9.8 | 174.6 | -72.4 | -10.7 | 0 | 0 | 0 | 112.1 | D2229 H2231 I2247 | D2229-N2234 PolarHBondContact O-ND2 3.43Å; H2231-N2234 PolarHBondContact CE1-ND2 3.37Å; H2231-N2234 VanDerWaalsContact CE1-ND2 3.26Å; H2231-N2234 PolarHBondContact CE1-OD1 3.1Å; H2231-N2234 PolarHBondContact ND1-N 3.3Å; H2231-N2234 PolarHBondContact O-N 3.04Å; N2234-I2247 HydrophobicContact CB-CG1 4.46Å; N2234-I2247 PolarHBondContact O-N 3.13Å; N2234-I2247 VanDerWaalsContact O-N 3.1Å |
| 2235 | L | 92.2 | Very high | 88 | Confident | 1 Ų | 1 | 16.4 Ų | 16.4 | 1% | 0.005 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 113.4 | 178.8 | -62.1 | 176.8 | 0 | 0 | 0 | 107.8 | L2135 H2233 I2244 H2246 R2268 | L2135-L2235 HydrophobicContact CB-CB 4.17Å; L2135-L2235 WeakPolarHBondContact CB-O 3.28Å; L2135-L2235 HydrophobicContact CD2-CB 4.2Å; L2135-L2235 HydrophobicContact CD2-CD1 4.01Å; L2135-L2235 PolarHBondContact N-O 3.43Å; H2233-L2235 VanDerWaalsContact C-N 3.29Å; L2235-I2244 HydrophobicContact CB-CD1 4.29Å; L2235-I2244 HydrophobicContact CD1-CD1 4.46Å; L2235-I2244 HydrophobicContact CD2-CD1 4.33Å; L2235-H2246 WeakPolarHBondContact CD2-CD2 3.12Å; L2235-H2246 WeakPolarHBondContact CD2-NE2 3.43Å; L2235-R2268 VanDerWaalsContact CD1-CD 3.42Å |
| 2236 | L | 93.1 | Very high | 88.3 | Confident | 14 Ų | 14 | 17.1 Ų | 17.1 | 7% | 0.073 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 140.5 | 177.4 | -54.3 | -178.8 | 0 | 0 | 0 | 109.7 | C2129 T2132 V2133 P2134 I2244 I2245 I2247 | C2129-L2236 HydrophobicContact CB-CD1 4.14Å; T2132-L2236 HydrophobicContact CG2-CB 4.12Å; T2132-L2236 HydrophobicContact CG2-CD1 4.23Å; V2133-L2236 WeakPolarHBondContact O-CA 3.41Å; P2134-L2236 HydrophobicContact CB-CD2 4.13Å; P2134-L2236 HydrophobicContact CG-CD2 3.9Å; L2236-I2244 CarbonylContact O-C 3.59Å; L2236-I2244 WeakPolarHBondContact O-CA 3.44Å; L2236-I2245 HydrophobicContact CB-CB 4.27Å; L2236-I2245 PolarHBondContact N-O 3.01Å; L2236-I2245 PolarHBondContact O-N 2.92Å; L2236-I2247 HydrophobicContact CD1-CD1 4.19Å; L2236-I2247 HydrophobicContact CD1-CG2 3.75Å; L2236-I2247 HydrophobicContact CD2-CD1 4.06Å; L2236-I2247 HydrophobicContact CG-CD1 4.11Å; L2236-I2247 HydrophobicContact CG-CG1 4.4Å; L2236-I2247 HydrophobicContact CG-CG2 4.21Å |
| 2237 | L | 92.3 | Very high | 88.6 | Confident | 1 Ų | 1 | 19 Ų | 19 | 1% | 0.005 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 132.6 | 167.1 | -69.2 | 172.1 | 0 | 0 | 0 | 109.5 | T2132 V2133 L2135 L2190 F2193 Y2211 I2244 | T2132-L2237 CarbonylContact C-O 3.55Å; T2132-L2237 VanDerWaalsContact CA-O 3.28Å; T2132-L2237 WeakPolarHBondContact CA-O 3.49Å; V2133-L2237 HydrophobicContact CG1-CB 4.23Å; V2133-L2237 PolarHBondContact N-O 3.35Å; V2133-L2237 PolarHBondContact O-N 3.32Å; L2135-L2237 HydrophobicContact CD1-CD1 3.77Å; L2135-L2237 HydrophobicContact CD1-CG 4.29Å; L2190-L2237 HydrophobicContact CD1-CD1 4Å; F2193-L2237 HydrophobicContact CD2-CD1 4.02Å; F2193-L2237 HydrophobicContact CE1-CB 4.49Å; F2193-L2237 HydrophobicContact CE1-CD1 4.47Å; F2193-L2237 HydrophobicContact CE2-CB 4.23Å; F2193-L2237 HydrophobicContact CE2-CD1 3.98Å; F2193-L2237 HydrophobicContact CG-CD1 4.29Å; F2193-L2237 HydrophobicContact CZ-CB 3.93Å; F2193-L2237 HydrophobicContact CZ-CD1 4.21Å; Y2211-L2237 HydrophobicContact CD2-CD2 4.29Å; Y2211-L2237 HydrophobicContact CE2-CD2 4.24Å; L2237-I2244 HydrophobicContact CD2-CB 4.44Å; L2237-I2244 HydrophobicContact CD2-CG1 4.31Å |
| 2238 | H | 91.1 | Very high | 88.4 | Confident | 10 Ų | 10 | 20.4 Ų | 20.4 | 5% | 0.046 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 113 | 175.1 | -163.8 | -96.2 | 0 | 0 | 0 | 110.8 | R2112 E2130 D2131 S2240 T2241 G2242 E2243 | R2112-H2238 VanDerWaalsContact CZ-CD2 3.47Å; R2112-H2238 PolarHBondContact NH1-CD2 3.03Å; R2112-H2238 PolarHBondContact NH1-CE1 3.17Å; R2112-H2238 PolarHBondContact NH1-ND1 3.47Å; R2112-H2238 PolarHBondContact NH1-NE2 3.37Å; R2112-H2238 PolarHBondContact NH2-CD2 2.91Å; R2112-H2238 VanDerWaalsContact NH2-CD2 3.27Å; R2112-H2238 PolarHBondContact NH2-NE2 3.14Å; E2130-H2238 PolarHBondContact O-CD2 2.73Å; E2130-H2238 PolarHBondContact O-NE2 3.2Å; D2131-H2238 WeakPolarHBondContact CB-NE2 3.43Å; H2238-S2240 VanDerWaalsContact C-N 3.27Å; H2238-S2240 PolarHBondContact CE1-OG 2.84Å; H2238-S2240 PolarHBondContact ND1-OG 3.46Å; H2238-S2240 PolarHBondContact O-N 3.05Å; H2238-T2241 WeakPolarHBondContact CB-OG1 3.34Å; H2238-T2241 PolarHBondContact ND1-N 2.88Å; H2238-T2241 PolarHBondContact ND1-OG1 3.11Å; H2238-T2241 PolarHBondContact O-N 3.15Å; H2238-G2242 WeakPolarHBondContact O-CA 3.23Å; H2238-G2242 PolarHBondContact O-N 2.92Å; H2238-E2243 PolarHBondContact N-O 3.43Å |
| 2239 | K | 87.3 | Confident | 88.3 | Confident | 53 Ų | 53 | 20.2 Ų | 20.2 | 23% | 0.23 | 11% | 0.106 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.2 | -42.2 | -174.1 | -69.7 | 175.9 | 174.6 | -176.4 | 0 | 113.2 | D941 D2131 F2198 | D941-K2239 IonicContact OD1-NZ 2.69Å; D941-K2239 PolarHBondContact OD1-NZ 3.43Å; D941-K2239 IonicContact OD2-NZ 2.67Å; D941-K2239 PolarHBondContact OD2-NZ 3.06Å; D2131-K2239 WeakPolarHBondContact O-CB 3.4Å; D2131-K2239 WeakPolarHBondContact O-CG 3.39Å; D2131-K2239 PolarHBondContact O-N 3.49Å; F2198-K2239 WeakPolarHBondContact CZ-O 3.31Å |
| 2240 | S | 85 | Confident | 87.9 | Confident | 60 Ų | 60 | 20.7 Ų | 20.7 | 42% | 0.42 | 11% | 0.113 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.3 | -2.3 | -171.8 | 50.6 | 0 | 0 | 0 | 0 | 114.8 | D2131 H2238 | D2131-S2240 PolarHBondContact OD2-OG 3.49Å; H2238-S2240 VanDerWaalsContact C-N 3.27Å; H2238-S2240 PolarHBondContact CE1-OG 2.84Å; H2238-S2240 PolarHBondContact ND1-OG 3.46Å; H2238-S2240 PolarHBondContact O-N 3.05Å |
| 2241 | T | 84.3 | Confident | 87.4 | Confident | 42 Ų | 42 | 20.9 Ų | 20.9 | 26% | 0.258 | 11% | 0.114 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -134.3 | -12.2 | 175.9 | 66 | 0 | 0 | 0 | 0 | 115.4 | R2112 S2207 A2210 H2238 E2243 | R2112-T2241 PolarHBondContact NH1-OG1 3.14Å; S2207-T2241 WeakPolarHBondContact CA-O 3.36Å; A2210-T2241 WeakPolarHBondContact CB-O 3.41Å; H2238-T2241 WeakPolarHBondContact CB-OG1 3.34Å; H2238-T2241 PolarHBondContact ND1-N 2.88Å; H2238-T2241 PolarHBondContact ND1-OG1 3.11Å; H2238-T2241 PolarHBondContact O-N 3.15Å; T2241-E2243 PolarHBondContact O-N 3.14Å; T2241-E2243 PolarHBondContact OG1-OE2 3.43Å |
| 2242 | G | 88.1 | Confident | 87.2 | Confident | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 11% | 0.11 | C | C | . | . | trans | 75.6 | -7.3 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | Y2211 H2238 | Y2211-G2242 WeakPolarHBondContact CB-O 3.43Å; H2238-G2242 WeakPolarHBondContact O-CA 3.23Å; H2238-G2242 PolarHBondContact O-N 2.92Å | ||
| 2243 | E | 90.5 | Very high | 86.8 | Confident | 14 Ų | 14 | 20.6 Ų | 20.6 | 7% | 0.065 | 11% | 0.113 | C | C | . | . | trans | -63.4 | 141.1 | -179 | -65.3 | 169.8 | 123.8 | 0 | 0 | 112.3 | R2110 R2112 A2210 S2214 H2238 T2241 | R2110-E2243 IonicContact CZ-OE1 3.35Å; R2110-E2243 VanDerWaalsContact CZ-OE1 3.23Å; R2110-E2243 IonicContact NE-OE1 2.59Å; R2110-E2243 PolarHBondContact NE-OE1 2.79Å; R2110-E2243 IonicContact NH2-OE1 2.75Å; R2110-E2243 PolarHBondContact NH2-OE1 3.33Å; R2110-E2243 IonicContact NH2-OE2 3.59Å; R2110-E2243 PolarHBondContact NH2-OE2 2.79Å; R2112-E2243 WeakPolarHBondContact CD-OE2 3.39Å; R2112-E2243 IonicContact CZ-OE2 3.65Å; R2112-E2243 IonicContact NE-OE2 2.84Å; R2112-E2243 IonicContact NH1-OE2 3.32Å; R2112-E2243 PolarHBondContact NH1-OE2 3.04Å; A2210-E2243 HydrophobicContact CB-CG 3.98Å; S2214-E2243 WeakPolarHBondContact OG-CA 3.28Å; H2238-E2243 PolarHBondContact N-O 3.43Å; T2241-E2243 PolarHBondContact O-N 3.14Å; T2241-E2243 PolarHBondContact OG1-OE2 3.43Å | ||
| 2244 | I | 92.6 | Very high | 86.5 | Confident | 1 Ų | 1 | 19.5 Ų | 19.5 | 1% | 0.005 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 140.1 | 170.4 | -156.5 | 172 | 0 | 0 | 0 | 110.7 | Y2211 S2214 I2215 L2235 L2236 L2237 L2273 | Y2211-I2244 HydrophobicContact CE2-CB 4.49Å; S2214-I2244 PolarHBondContact OG-N 3.17Å; I2215-I2244 HydrophobicContact CB-CG2 3.81Å; I2215-I2244 HydrophobicContact CG1-CG2 4.31Å; L2235-I2244 HydrophobicContact CB-CD1 4.29Å; L2235-I2244 HydrophobicContact CD1-CD1 4.46Å; L2235-I2244 HydrophobicContact CD2-CD1 4.33Å; L2236-I2244 CarbonylContact O-C 3.59Å; L2236-I2244 WeakPolarHBondContact O-CA 3.44Å; L2237-I2244 HydrophobicContact CD2-CB 4.44Å; L2237-I2244 HydrophobicContact CD2-CG1 4.31Å; I2244-L2273 HydrophobicContact CD1-CD2 4.08Å |
| 2245 | I | 92.4 | Very high | 85.9 | Confident | 2 Ų | 2 | 19.2 Ų | 19.2 | 1% | 0.01 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 128.7 | -179.1 | -42.2 | -177.9 | 0 | 0 | 0 | 109 | R2112 C2129 T2132 L2236 | R2112-I2245 HydrophobicContact CB-CD1 4.3Å; R2112-I2245 HydrophobicContact CB-CG1 4.11Å; R2112-I2245 HydrophobicContact CG-CD1 3.93Å; R2112-I2245 HydrophobicContact CG-CG1 4.3Å; C2129-I2245 HydrophobicContact CB-CD1 4.45Å; T2132-I2245 HydrophobicContact CG2-CD1 3.92Å; L2236-I2245 HydrophobicContact CB-CB 4.27Å; L2236-I2245 PolarHBondContact N-O 3.01Å; L2236-I2245 PolarHBondContact O-N 2.92Å |
| 2246 | H | 90.8 | Very high | 85 | Confident | 20 Ų | 20 | 19.3 Ų | 19.3 | 9% | 0.093 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 131.2 | 175.8 | -71.4 | -156.4 | 0 | 0 | 0 | 109.9 | Y2114 T2218 L2235 L2249 | Y2114-H2246 WeakPolarHBondContact CE1-O 3.08Å; T2218-H2246 VanDerWaalsContact CB-CE1 3.5Å; T2218-H2246 WeakPolarHBondContact CB-CE1 3.4Å; T2218-H2246 VanDerWaalsContact CB-NE2 3.31Å; T2218-H2246 WeakPolarHBondContact CB-NE2 3.44Å; T2218-H2246 PolarHBondContact OG1-CE1 3.06Å; T2218-H2246 PolarHBondContact OG1-NE2 3.31Å; L2235-H2246 WeakPolarHBondContact CD2-CD2 3.12Å; L2235-H2246 WeakPolarHBondContact CD2-NE2 3.43Å; H2246-L2249 HydrophobicContact CB-CD2 4.14Å |
| 2247 | I | 89.2 | Confident | 84.2 | Confident | 44 Ų | 44 | 23.5 Ų | 23.5 | 23% | 0.226 | 12% | 0.124 | C | C | . | . | trans | -122.6 | 169.8 | 177.2 | 60.7 | 166.4 | 0 | 0 | 0 | 112 | Y2114 R2230 N2234 L2236 | Y2114-I2247 HydrophobicContact CE1-CG2 3.96Å; R2230-I2247 PolarHBondContact NH1-O 2.97Å; N2234-I2247 HydrophobicContact CB-CG1 4.46Å; N2234-I2247 PolarHBondContact O-N 3.13Å; N2234-I2247 VanDerWaalsContact O-N 3.1Å; L2236-I2247 HydrophobicContact CD1-CD1 4.19Å; L2236-I2247 HydrophobicContact CD1-CG2 3.75Å; L2236-I2247 HydrophobicContact CD2-CD1 4.06Å; L2236-I2247 HydrophobicContact CG-CD1 4.11Å; L2236-I2247 HydrophobicContact CG-CG1 4.4Å; L2236-I2247 HydrophobicContact CG-CG2 4.21Å | ||
| 2248 | D | 83.2 | Confident | 83.3 | Confident | 44 Ų | 44 | 29 Ų | 29 | 24% | 0.235 | 15% | 0.153 | C | C | . | . | trans | 53.1 | 75.1 | -178.9 | -144.1 | 30 | 0 | 0 | 0 | 111 | K2052 R2230 K2332 | K2052-D2248 IonicContact NZ-OD1 3.66Å; K2052-D2248 PolarHBondContact NZ-OD1 2.85Å; R2230-D2248 PolarHBondContact NH2-O 3.1Å; D2248-K2332 IonicContact OD2-NZ 3.78Å; D2248-K2332 PolarHBondContact OD2-NZ 3.5Å | ||
| 2249 | L | 82.3 | Confident | 82.4 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.153 | C | C | . | . | trans | -95.3 | 2 | -164.6 | -58.1 | 177.3 | 0 | 0 | 0 | 114.3 | D2060 M2063 Q2064 F2067 L2227 H2246 V2251 | D2060-L2249 WeakPolarHBondContact OD1-CA 3.35Å; D2060-L2249 WeakPolarHBondContact OD1-CB 2.96Å; D2060-L2249 PolarHBondContact OD1-N 3.45Å; M2063-L2249 HydrophobicContact CB-CB 4.08Å; M2063-L2249 HydrophobicContact CB-CD1 3.86Å; M2063-L2249 HydrophobicContact CG-CB 4.36Å; Q2064-L2249 HydrophobicContact CG-CD1 4.33Å; F2067-L2249 HydrophobicContact CD2-CD1 4.34Å; F2067-L2249 HydrophobicContact CE2-CD1 3.59Å; F2067-L2249 HydrophobicContact CE2-CD2 4.28Å; F2067-L2249 HydrophobicContact CZ-CD1 4.01Å; F2067-L2249 HydrophobicContact CZ-CD2 4.28Å; L2227-L2249 HydrophobicContact CD1-CD2 4.32Å; L2227-L2249 HydrophobicContact CD2-CB 4.02Å; L2227-L2249 HydrophobicContact CD2-CD2 3.85Å; L2227-L2249 WeakPolarHBondContact CD2-O 3.5Å; H2246-L2249 HydrophobicContact CB-CD2 4.14Å; L2249-V2251 VanDerWaalsContact C-N 3.28Å; L2249-V2251 PolarHBondContact O-N 3.45Å | ||
| 2250 | G | 73.6 | Confident | 81.6 | Confident | 17 Ų | 17 | 30.4 Ų | 30.4 | 18% | 0.175 | 17% | 0.167 | C | C | . | . | trans | -59.4 | -26 | -174.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | Q2059 D2060 A2252 | Q2059-G2250 PolarHBondContact OE1-O 2.75Å; D2060-G2250 PolarHBondContact OD1-N 3.49Å; G2250-A2252 PolarHBondContact O-N 3.17Å | ||
| 2251 | V | 79 | Confident | 81.1 | Confident | 11 Ų | 11 | 29.6 Ų | 29.6 | 7% | 0.067 | 16% | 0.16 | C | C | . | . | S | Bend | trans | -84.1 | 91.3 | 172.9 | -176.2 | 0 | 0 | 0 | 0 | 109.3 | L2227 G2228 D2229 L2249 Q2255 L2329 | L2227-V2251 WeakPolarHBondContact CA-O 3.46Å; G2228-V2251 PolarHBondContact N-O 3.4Å; D2229-V2251 HydrophobicContact CB-CB 4.35Å; D2229-V2251 HydrophobicContact CB-CG2 4.19Å; L2249-V2251 VanDerWaalsContact C-N 3.28Å; L2249-V2251 PolarHBondContact O-N 3.45Å; V2251-Q2255 HydrophobicContact CG1-CB 4.33Å; V2251-L2329 HydrophobicContact CG2-CD1 4.25Å |
| 2252 | A | 81.4 | Confident | 80.7 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.164 | C | C | . | . | trans | -120.6 | -179.1 | -174.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | M2063 G2226 G2250 D2254 Q2255 | M2063-A2252 HydrophobicContact CE-CB 3.5Å; M2063-A2252 HydrophobicContact SD-CB 4Å; G2226-A2252 CarbonylContact O-C 3.57Å; G2250-A2252 PolarHBondContact O-N 3.17Å; A2252-D2254 VanDerWaalsContact C-N 3.3Å; A2252-D2254 PolarHBondContact O-N 3.4Å; A2252-Q2255 WeakPolarHBondContact O-CB 3.37Å; A2252-Q2255 WeakPolarHBondContact O-CG 3.41Å; A2252-Q2255 PolarHBondContact O-N 3.02Å | ||
| 2253 | F | 81.2 | Confident | 80.4 | Confident | 14 Ų | 14 | 30.7 Ų | 30.7 | 6% | 0.061 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54.2 | 40 | 168.3 | -58.6 | -66.3 | 0 | 0 | 0 | 115.4 | M2063 V2225 G2226 Q2255 L2308 L2311 Y2317 W2319 V2400 V2404 | M2063-F2253 HydrophobicContact SD-CE2 4.26Å; M2063-F2253 HydrophobicContact SD-CZ 4.24Å; V2225-F2253 HydrophobicContact CG1-CD1 4.43Å; V2225-F2253 HydrophobicContact CG1-CE1 3.66Å; V2225-F2253 HydrophobicContact CG1-CZ 3.93Å; V2225-F2253 VanDerWaalsContact O-CA 3.25Å; V2225-F2253 WeakPolarHBondContact O-CA 3.47Å; V2225-F2253 PolarHBondContact O-N 3.39Å; G2226-F2253 PolarHBondContact O-N 3.13Å; G2226-F2253 VanDerWaalsContact O-N 3.13Å; F2253-Q2255 PolarHBondContact O-N 2.91Å; F2253-L2308 HydrophobicContact CE1-CD1 4.3Å; F2253-L2308 HydrophobicContact CE1-CD2 3.67Å; F2253-L2308 HydrophobicContact CZ-CD2 3.52Å; F2253-L2311 HydrophobicContact CE2-CD1 3.9Å; F2253-L2311 HydrophobicContact CZ-CD1 3.77Å; F2253-Y2317 HydrophobicContact CD2-CE1 4.5Å; F2253-Y2317 HydrophobicContact CE2-CE1 4.44Å; F2253-Y2317 WeakPolarHBondContact CE2-OH 3.38Å; F2253-W2319 HydrophobicContact CD1-CZ3 4.27Å; F2253-W2319 HydrophobicContact CD2-CE3 4.33Å; F2253-W2319 AromaticContact CD2-CZ3 3.78Å; F2253-W2319 HydrophobicContact CD2-CZ3 3.78Å; F2253-W2319 HydrophobicContact CE1-CZ3 4.47Å; F2253-W2319 HydrophobicContact CE2-CZ3 4.03Å; F2253-W2319 AromaticContact CG-CZ3 3.93Å; F2253-W2319 HydrophobicContact CG-CZ3 3.93Å; F2253-W2319 HydrophobicContact CZ-CZ3 4.37Å; F2253-V2400 HydrophobicContact CB-CG1 3.58Å; F2253-V2400 HydrophobicContact CB-CG2 4.23Å; F2253-V2400 HydrophobicContact CD1-CG1 3.28Å; F2253-V2400 HydrophobicContact CE1-CG1 4.16Å; F2253-V2400 HydrophobicContact CG-CG1 3.57Å; F2253-V2404 HydrophobicContact CD1-CG2 4.32Å; F2253-V2404 HydrophobicContact CE1-CG2 4.47Å |
| 2254 | D | 78 | Confident | 80 | Confident | 50 Ų | 50 | 32.9 Ų | 32.9 | 27% | 0.267 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62.4 | 12.8 | -177.3 | -56.7 | -43.5 | 0 | 0 | 0 | 114.1 | G2226 A2252 G2256 R2257 K2407 | G2226-D2254 WeakPolarHBondContact CA-OD1 3.48Å; G2226-D2254 PolarHBondContact O-N 3.35Å; A2252-D2254 VanDerWaalsContact C-N 3.3Å; A2252-D2254 PolarHBondContact O-N 3.4Å; D2254-G2256 PolarHBondContact O-N 3.28Å; D2254-R2257 WeakPolarHBondContact O-CB 3.47Å; D2254-R2257 PolarHBondContact O-N 3.41Å; D2254-K2407 IonicContact OD1-NZ 2.93Å; D2254-K2407 PolarHBondContact OD1-NZ 3.35Å; D2254-K2407 WeakPolarHBondContact OD2-CE 3.5Å; D2254-K2407 IonicContact OD2-NZ 3.24Å; D2254-K2407 PolarHBondContact OD2-NZ 3.28Å |
| 2255 | Q | 76.1 | Confident | 79.8 | Confident | 5 Ų | 5 | 33.5 Ų | 33.5 | 2% | 0.023 | 18% | 0.181 | C | C | . | . | G | 310 helix | trans | -56.8 | -23.6 | 174.5 | -70.6 | 173.2 | -6.9 | 0 | 0 | 113 | V2251 A2252 F2253 R2257 L2258 W2319 L2321 | V2251-Q2255 HydrophobicContact CG1-CB 4.33Å; A2252-Q2255 WeakPolarHBondContact O-CB 3.37Å; A2252-Q2255 WeakPolarHBondContact O-CG 3.41Å; A2252-Q2255 PolarHBondContact O-N 3.02Å; F2253-Q2255 PolarHBondContact O-N 2.91Å; Q2255-R2257 PolarHBondContact O-N 2.99Å; Q2255-R2257 VanDerWaalsContact O-N 3.11Å; Q2255-L2258 WeakPolarHBondContact O-CB 3.47Å; Q2255-L2258 PolarHBondContact O-N 3.37Å; Q2255-W2319 VanDerWaalsContact NE2-C 3.3Å; Q2255-W2319 PolarHBondContact NE2-O 3.07Å; Q2255-L2321 HydrophobicContact CB-CD1 4.1Å; Q2255-L2321 HydrophobicContact CB-CG 4.4Å |
| 2256 | G | 74.6 | Confident | 79.6 | Confident | 3 Ų | 3 | 33.9 Ų | 33.9 | 3% | 0.031 | 18% | 0.184 | C | C | . | . | G | 310 helix | trans | -57.5 | -19.5 | 170.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | D2254 E2263 | D2254-G2256 PolarHBondContact O-N 3.28Å; G2256-E2263 PolarHBondContact O-N 3Å |
| 2257 | R | 76 | Confident | 79.6 | Confident | 103 Ų | 103 | 33.7 Ų | 33.7 | 39% | 0.389 | 18% | 0.183 | S | C | . | . | G | 310 helix | trans | -85.3 | -10.4 | 173.4 | -60.5 | -178.5 | 174.4 | -172.7 | -4 | 113.9 | D2254 Q2255 | D2254-R2257 WeakPolarHBondContact O-CB 3.47Å; D2254-R2257 PolarHBondContact O-N 3.41Å; Q2255-R2257 PolarHBondContact O-N 2.99Å; Q2255-R2257 VanDerWaalsContact O-N 3.11Å |
| 2258 | L | 73 | Confident | 79.8 | Confident | 117 Ų | 117 | 32 Ų | 32 | 61% | 0.613 | 17% | 0.174 | S | C | * | . | S | Bend | trans | -94.3 | -1.9 | 175.9 | -55.3 | 177.9 | 0 | 0 | 0 | 112.5 | Q2255 | Q2255-L2258 WeakPolarHBondContact O-CB 3.47Å; Q2255-L2258 PolarHBondContact O-N 3.37Å |
| 2259 | L | 73 | Confident | 80.3 | Confident | 9 Ų | 9 | 30 Ų | 30 | 5% | 0.047 | 16% | 0.163 | C | C | . | . | S | Bend | trans | -72.2 | 146.4 | 176.8 | -58.4 | 178.1 | 0 | 0 | 0 | 110.8 | T2261 L2321 L2326 L2329 | L2259-T2261 CarbonylContact O-C 3.6Å; L2259-T2261 PolarHBondContact O-N 3.01Å; L2259-T2261 VanDerWaalsContact O-N 3.07Å; L2259-L2321 HydrophobicContact CD2-CD1 3.86Å; L2259-L2326 HydrophobicContact CD2-CD2 3.72Å; L2259-L2329 HydrophobicContact CD2-CD1 4.16Å |
| 2260 | P | 70.2 | Confident | 80.8 | Confident | 82 Ų | 82 | 30 Ų | 30 | 53% | 0.532 | 16% | 0.163 | S | C | . | . | S | Bend | trans | -58.2 | -26.2 | -177.7 | -28.1 | 36.9 | 0 | 0 | 0 | 114.9 | E2330 | P2260-E2330 HydrophobicContact CG-CG 4.4Š|
| 2261 | T | 74.4 | Confident | 81.6 | Confident | 43 Ų | 43 | 30.9 Ų | 30.9 | 26% | 0.264 | 16% | 0.161 | S | C | . | . | S | Bend | trans | -111.4 | 101.4 | 157.4 | -46.6 | 0 | 0 | 0 | 0 | 107.6 | L2259 | L2259-T2261 CarbonylContact O-C 3.6Å; L2259-T2261 PolarHBondContact O-N 3.01Å; L2259-T2261 VanDerWaalsContact O-N 3.07Å |
| 2262 | P | 75.9 | Confident | 82.2 | Confident | 51 Ų | 51 | 30.4 Ų | 30.4 | 33% | 0.331 | 16% | 0.159 | S | C | . | . | trans | -73.8 | 147.6 | -170.3 | 28.7 | -35.8 | 0 | 0 | 0 | 112.3 | M2264 | P2262-M2264 HydrophobicContact CG-SD 4.36Å; P2262-M2264 PolarHBondContact O-N 3.12Å | ||
| 2263 | E | 81.8 | Confident | 82.9 | Confident | 15 Ų | 15 | 30.5 Ų | 30.5 | 7% | 0.07 | 16% | 0.159 | C | C | . | . | trans | -82.3 | 108.7 | 177.3 | -67.8 | -178.5 | -157 | 0 | 0 | 110.4 | G2228 D2229 G2256 R2333 M2456 | G2228-E2263 WeakPolarHBondContact CA-OE2 3.46Å; D2229-E2263 WeakPolarHBondContact CA-OE1 3.44Å; D2229-E2263 PolarHBondContact N-OE1 2.9Å; D2229-E2263 VanDerWaalsContact N-OE1 3.12Å; D2229-E2263 PolarHBondContact N-OE2 3.29Å; G2256-E2263 PolarHBondContact O-N 3Å; E2263-R2333 IonicContact OE1-CZ 2.7Å; E2263-R2333 IonicContact OE1-NH2 3.63Å; E2263-R2333 PolarHBondContact OE1-NH2 2.96Å; E2263-M2456 HydrophobicContact CB-CE 3.92Å; E2263-M2456 HydrophobicContact CB-SD 4.42Å; E2263-M2456 HydrophobicContact CG-CE 3.81Å | ||
| 2264 | M | 81.6 | Confident | 83.3 | Confident | 60 Ų | 60 | 31.4 Ų | 31.4 | 30% | 0.296 | 17% | 0.166 | S | C | . | . | trans | -86.6 | -15 | -169.5 | -65.6 | -64.4 | -64.2 | 0 | 0 | 114.4 | P2262 N2452 R2455 M2456 | P2262-M2264 HydrophobicContact CG-SD 4.36Å; P2262-M2264 PolarHBondContact O-N 3.12Å; M2264-N2452 HydrophobicContact CB-CB 4.35Å; M2264-R2455 HydrophobicContact CG-CB 4.19Å; M2264-M2456 HydrophobicContact CB-SD 4.24Å; M2264-M2456 PolarHBondContact N-SD 3.14Å | ||
| 2265 | V | 87.5 | Confident | 83.9 | Confident | 13 Ų | 13 | 30 Ų | 30 | 8% | 0.079 | 16% | 0.157 | C | C | . | . | S | Bend | trans | -97 | 149.8 | -179.8 | -64.1 | 0 | 0 | 0 | 0 | 111.6 | F2267 N2452 L2453 M2456 W2460 | V2265-F2267 WeakPolarHBondContact CG2-O 3.41Å; V2265-N2452 HydrophobicContact CG1-CB 4.01Å; V2265-L2453 HydrophobicContact CG1-CD2 3.95Å; V2265-L2453 HydrophobicContact CG1-CG 4.37Å; V2265-M2456 HydrophobicContact CG2-CE 3.79Å; V2265-M2456 HydrophobicContact CG2-SD 4.09Å; V2265-W2460 HydrophobicContact CG2-CH2 3.77Å; V2265-W2460 HydrophobicContact CG2-CZ2 3.79Å |
| 2266 | P | 88.6 | Confident | 84.6 | Confident | 11 Ų | 11 | 29.8 Ų | 29.8 | 7% | 0.071 | 16% | 0.156 | C | C | . | . | S | Bend | trans | -74.3 | -23.2 | -179.8 | 29.5 | -34.9 | 0 | 0 | 0 | 114 | Y2223 L2443 A2446 A2447 | Y2223-P2266 HydrophobicContact CD2-CB 3.73Å; Y2223-P2266 HydrophobicContact CE2-CB 4.38Å; Y2223-P2266 HydrophobicContact CG-CB 4.49Å; P2266-L2443 HydrophobicContact CB-CD2 3.94Å; P2266-L2443 HydrophobicContact CG-CB 4.42Å; P2266-L2443 HydrophobicContact CG-CD2 4.19Å; P2266-L2443 WeakPolarHBondContact CG-O 3.26Å; P2266-A2446 HydrophobicContact CG-CB 4.37Å; P2266-A2447 HydrophobicContact CG-CB 4.04Å |
| 2267 | F | 92.1 | Very high | 85.3 | Confident | 15 Ų | 15 | 29.7 Ų | 29.7 | 7% | 0.066 | 16% | 0.155 | C | C | . | . | S | Bend | trans | -163.8 | 170.1 | 173.1 | 46.8 | -96.8 | 0 | 0 | 0 | 109.4 | S2219 V2265 L2269 F2286 L2443 A2447 | S2219-F2267 VanDerWaalsContact CB-CD2 3.47Å; S2219-F2267 WeakPolarHBondContact O-CD1 3.39Å; S2219-F2267 WeakPolarHBondContact OG-CD2 3.45Å; V2265-F2267 WeakPolarHBondContact CG2-O 3.41Å; F2267-L2269 HydrophobicContact CD2-CB 3.96Å; F2267-L2269 HydrophobicContact CE2-CB 3.84Å; F2267-L2269 HydrophobicContact CE2-CD1 4.15Å; F2267-L2269 HydrophobicContact CE2-CD2 3.77Å; F2267-L2269 HydrophobicContact CE2-CG 4.13Å; F2267-L2269 PolarHBondContact O-N 3.38Å; F2267-F2286 HydrophobicContact CE2-CE1 4.35Å; F2267-F2286 AromaticContact CE2-CZ 3.81Å; F2267-F2286 HydrophobicContact CE2-CZ 3.81Å; F2267-F2286 HydrophobicContact CZ-CE1 4.42Å; F2267-F2286 HydrophobicContact CZ-CZ 4.17Å; F2267-L2443 HydrophobicContact CE1-CB 4.02Å; F2267-L2443 HydrophobicContact CZ-CB 4.45Å; F2267-A2447 HydrophobicContact CD2-CB 4.19Å; F2267-A2447 HydrophobicContact CE2-CB 3.94Å; F2267-A2447 HydrophobicContact CZ-CB 4.3Å |
| 2268 | R | 92.1 | Very high | 85.8 | Confident | 9 Ų | 9 | 25 Ų | 25 | 3% | 0.034 | 14% | 0.138 | C | C | . | . | trans | -78.5 | 114.6 | 175.4 | -166.2 | -166.9 | -173.9 | 86.3 | 7.7 | 110.5 | R2230 L2235 T2270 L2273 W2460 Q2461 L2464 | R2230-R2268 HydrophobicContact CB-CB 4.32Å; R2230-R2268 PolarHBondContact O-NH1 2.78Å; L2235-R2268 VanDerWaalsContact CD1-CD 3.42Å; R2268-T2270 HydrophobicContact CG-CG2 3.93Å; R2268-T2270 PolarHBondContact NE-OG1 2.81Å; R2268-L2273 HydrophobicContact CB-CD1 4.26Å; R2268-L2273 HydrophobicContact CG-CD1 3.69Å; R2268-W2460 HydrophobicContact CB-CH2 3.97Å; R2268-W2460 HydrophobicContact CB-CZ2 3.78Å; R2268-W2460 HydrophobicContact CG-CH2 3.57Å; R2268-W2460 HydrophobicContact CG-CZ2 3.76Å; R2268-W2460 HydrophobicContact CG-CZ3 4.21Å; R2268-W2460 PolarHBondContact NH1-O 3.01Å; R2268-W2460 PolarHBondContact NH2-O 3.44Å; R2268-Q2461 PolarHBondContact NH2-O 3.21Å; R2268-L2464 PolarHBondContact NH2-O 3.27Å | ||
| 2269 | L | 93.3 | Very high | 86.1 | Confident | 2 Ų | 2 | 19.7 Ų | 19.7 | 1% | 0.01 | 11% | 0.111 | C | C | . | . | trans | -138.5 | 56.1 | 174.9 | -157.9 | 68.5 | 0 | 0 | 0 | 110.8 | F2267 V2274 L2282 F2286 V2444 A2447 T2448 | F2267-L2269 HydrophobicContact CD2-CB 3.96Å; F2267-L2269 HydrophobicContact CE2-CB 3.84Å; F2267-L2269 HydrophobicContact CE2-CD1 4.15Å; F2267-L2269 HydrophobicContact CE2-CD2 3.77Å; F2267-L2269 HydrophobicContact CE2-CG 4.13Å; F2267-L2269 PolarHBondContact O-N 3.38Å; L2269-V2274 HydrophobicContact CG-CG2 4.07Å; L2269-L2282 HydrophobicContact CD1-CD2 3.99Å; L2269-L2282 HydrophobicContact CD2-CD1 4.11Å; L2269-L2282 HydrophobicContact CD2-CD2 3.43Å; L2269-L2282 VanDerWaalsContact CD2-CD2 3.43Å; L2269-L2282 HydrophobicContact CD2-CG 4.42Å; L2269-L2282 HydrophobicContact CG-CD2 3.95Å; L2269-F2286 HydrophobicContact CD1-CD2 4.19Å; L2269-F2286 HydrophobicContact CD1-CE1 4.26Å; L2269-F2286 HydrophobicContact CD1-CE2 3.58Å; L2269-F2286 HydrophobicContact CD1-CZ 3.63Å; L2269-F2286 HydrophobicContact CD2-CE1 4.09Å; L2269-F2286 HydrophobicContact CD2-CZ 4.18Å; L2269-V2444 HydrophobicContact CD2-CG1 4.26Å; L2269-V2444 HydrophobicContact CD2-CG2 4.44Å; L2269-A2447 HydrophobicContact CB-CB 3.87Å; L2269-A2447 HydrophobicContact CD2-CB 4.39Å; L2269-T2448 HydrophobicContact CD2-CG2 3.91Å; L2269-T2448 HydrophobicContact CG-CG2 4.35Å | ||
| 2270 | T | 92.4 | Very high | 86.4 | Confident | 1 Ų | 1 | 20.1 Ų | 20.1 | 1% | 0.006 | 11% | 0.113 | C | C | . | . | trans | -81 | 174.7 | -172.9 | 51.9 | 0 | 0 | 0 | 0 | 112.7 | R2268 D2272 L2273 V2274 L2453 W2460 L2464 | R2268-T2270 HydrophobicContact CG-CG2 3.93Å; R2268-T2270 PolarHBondContact NE-OG1 2.81Å; T2270-D2272 PolarHBondContact O-N 3.16Å; T2270-L2273 WeakPolarHBondContact O-CB 3.33Å; T2270-L2273 PolarHBondContact O-N 2.84Å; T2270-L2273 VanDerWaalsContact O-N 3.1Å; T2270-V2274 WeakPolarHBondContact O-CG2 3.49Å; T2270-V2274 PolarHBondContact O-N 3.32Å; T2270-L2453 HydrophobicContact CG2-CD2 4.11Å; T2270-W2460 HydrophobicContact CG2-CH2 4Å; T2270-W2460 HydrophobicContact CG2-CZ3 3.6Å; T2270-L2464 VanDerWaalsContact CB-C 3.47Å; T2270-L2464 WeakPolarHBondContact CB-O 3.31Å; T2270-L2464 WeakPolarHBondContact CB-OXT 3.35Å; T2270-L2464 VanDerWaalsContact OG1-C 3.24Å; T2270-L2464 PolarHBondContact OG1-O 2.95Å; T2270-L2464 PolarHBondContact OG1-OXT 3.43Å | ||
| 2271 | R | 91.7 | Very high | 87 | Confident | 35 Ų | 35 | 16.8 Ų | 16.8 | 13% | 0.132 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -66.1 | -38.9 | -166.8 | -59 | -178.4 | -54.3 | 138.4 | 7 | 112.8 | C2183 L2186 P2188 L2273 V2274 H2275 Y2450 Y2463 L2464 | C2183-R2271 PolarHBondContact O-NH1 2.97Å; C2183-R2271 PolarHBondContact SG-NE 3.42Å; L2186-R2271 PolarHBondContact O-NH1 3.14Å; L2186-R2271 PolarHBondContact O-NH2 3.07Å; P2188-R2271 HydrophobicContact CB-CB 4.48Å; R2271-L2273 VanDerWaalsContact C-N 3.34Å; R2271-V2274 PolarHBondContact O-N 3.17Å; R2271-H2275 WeakPolarHBondContact O-CB 3.17Å; R2271-H2275 PolarHBondContact O-N 3.37Å; R2271-Y2450 WeakPolarHBondContact CD-OH 3.14Å; R2271-Y2463 PolarHBondContact NE-O 3.35Å; R2271-Y2463 PolarHBondContact NH2-O 2.95Å; R2271-L2464 PolarHBondContact N-OXT 3.18Å |
| 2272 | D | 92.3 | Very high | 87.6 | Confident | 1 Ų | 1 | 16.1 Ų | 16.1 | 1% | 0.005 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -62 | -44.3 | 172.5 | -95.3 | -51 | 0 | 0 | 0 | 110.9 | L2139 H2147 P2188 V2189 L2190 T2270 V2274 H2275 A2276 L2464 | L2139-D2272 HydrophobicContact CD1-CB 4.05Å; L2139-D2272 HydrophobicContact CD2-CB 4.38Å; H2147-D2272 IonicContact CD2-OD2 3.41Å; H2147-D2272 IonicContact CE1-OD2 2.68Å; H2147-D2272 IonicContact NE2-OD1 2.79Å; H2147-D2272 IonicContact NE2-OD2 3.91Å; H2147-D2272 PolarHBondContact NE2-OD2 3.35Å; P2188-D2272 WeakPolarHBondContact CA-OD1 3.2Å; P2188-D2272 WeakPolarHBondContact CB-OD1 3.2Å; V2189-D2272 PolarHBondContact N-OD1 2.79Å; L2190-D2272 HydrophobicContact CB-CB 4.02Å; L2190-D2272 VanDerWaalsContact CB-O 3.27Å; L2190-D2272 WeakPolarHBondContact CB-O 3.36Å; L2190-D2272 HydrophobicContact CD2-CB 4.49Å; L2190-D2272 PolarHBondContact N-OD1 2.91Å; T2270-D2272 PolarHBondContact O-N 3.16Å; D2272-V2274 VanDerWaalsContact C-N 3.33Å; D2272-V2274 PolarHBondContact O-N 3.46Å; D2272-H2275 PolarHBondContact O-N 2.96Å; D2272-A2276 PolarHBondContact O-N 3.21Å; D2272-L2464 PolarHBondContact N-OXT 2.87Å |
| 2273 | L | 94.1 | Very high | 87.7 | Confident | 2 Ų | 2 | 16.3 Ų | 16.3 | 1% | 0.01 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -63.5 | -38.1 | 179.9 | -67.2 | 175.4 | 0 | 0 | 0 | 112.9 | L2135 L2190 Y2211 I2215 I2244 R2268 T2270 R2271 | L2135-L2273 HydrophobicContact CD2-CD2 3.81Å; L2190-L2273 HydrophobicContact CD2-CD2 3.97Å; Y2211-L2273 VanDerWaalsContact OH-CA 3.25Å; Y2211-L2273 WeakPolarHBondContact OH-CA 3.3Å; Y2211-L2273 WeakPolarHBondContact OH-CD2 3.39Å; Y2211-L2273 PolarHBondContact OH-O 2.97Å; I2215-L2273 HydrophobicContact CD1-CB 3.87Å; I2215-L2273 HydrophobicContact CD1-CD1 4.07Å; I2215-L2273 HydrophobicContact CD1-CD2 3.93Å; I2215-L2273 HydrophobicContact CD1-CG 4.17Å; I2244-L2273 HydrophobicContact CD1-CD2 4.08Å; R2268-L2273 HydrophobicContact CB-CD1 4.26Å; R2268-L2273 HydrophobicContact CG-CD1 3.69Å; T2270-L2273 WeakPolarHBondContact O-CB 3.33Å; T2270-L2273 PolarHBondContact O-N 2.84Å; T2270-L2273 VanDerWaalsContact O-N 3.1Å; R2271-L2273 VanDerWaalsContact C-N 3.34Å |
| 2274 | V | 91.5 | Very high | 87.2 | Confident | 33 Ų | 33 | 15.6 Ų | 15.6 | 20% | 0.2 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -72.4 | -41 | 176.2 | 174 | 0 | 0 | 0 | 0 | 111.8 | L2269 T2270 R2271 D2272 A2276 L2277 L2282 | L2269-V2274 HydrophobicContact CG-CG2 4.07Å; T2270-V2274 WeakPolarHBondContact O-CG2 3.49Å; T2270-V2274 PolarHBondContact O-N 3.32Å; R2271-V2274 PolarHBondContact O-N 3.17Å; D2272-V2274 VanDerWaalsContact C-N 3.33Å; D2272-V2274 PolarHBondContact O-N 3.46Å; V2274-A2276 PolarHBondContact O-N 2.91Å; V2274-L2277 HydrophobicContact CG1-CD1 4.42Å; V2274-L2277 VanDerWaalsContact O-CB 3.25Å; V2274-L2277 WeakPolarHBondContact O-CB 3.49Å; V2274-L2277 WeakPolarHBondContact O-CG 3.41Å; V2274-L2277 PolarHBondContact O-N 3.4Å; V2274-L2282 HydrophobicContact CG1-CD1 4.45Å; V2274-L2282 HydrophobicContact CG1-CG 4.22Å; V2274-L2282 HydrophobicContact CG2-CD1 4.18Å; V2274-L2282 HydrophobicContact CG2-CD2 4.18Å; V2274-L2282 HydrophobicContact CG2-CG 4.18Å |
| 2275 | H | 89.9 | Confident | 87 | Confident | 21 Ų | 21 | 12.8 Ų | 12.8 | 10% | 0.097 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -58.4 | -35.6 | 177.7 | 176 | -121.1 | 0 | 0 | 0 | 112.3 | W1221 P2188 V2189 L2190 A2191 R2271 D2272 L2277 G2278 | W1221-H2275 AromaticContact CH2-CD2 3.37Å; W1221-H2275 WeakPolarHBondContact CH2-CD2 3.38Å; W1221-H2275 AromaticContact CH2-NE2 3.86Å; W1221-H2275 AromaticContact CZ2-CD2 3.81Å; P2188-H2275 HydrophobicContact CB-CB 3.65Å; P2188-H2275 HydrophobicContact CG-CB 3.8Å; P2188-H2275 PolarHBondContact O-CE1 3.08Å; V2189-H2275 PolarHBondContact N-ND1 3.43Å; L2190-H2275 PolarHBondContact N-ND1 3.31Å; A2191-H2275 PolarHBondContact N-ND1 3.14Å; R2271-H2275 WeakPolarHBondContact O-CB 3.17Å; R2271-H2275 PolarHBondContact O-N 3.37Å; D2272-H2275 PolarHBondContact O-N 2.96Å; H2275-L2277 PolarHBondContact O-N 3.09Å; H2275-G2278 PolarHBondContact O-N 3.06Å |
| 2276 | A | 90.9 | Very high | 87 | Confident | 0 Ų | 0 | 12.2 Ų | 12.2 | 0% | 0 | 6% | 0.064 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -9.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | L2190 F2194 R2208 Y2211 D2272 V2274 G2278 | L2190-A2276 HydrophobicContact CB-CB 3.97Å; L2190-A2276 HydrophobicContact CD2-CB 3.78Å; L2190-A2276 HydrophobicContact CG-CB 3.73Å; F2194-A2276 HydrophobicContact CE2-CB 3.93Å; R2208-A2276 WeakPolarHBondContact CD-O 3.13Å; R2208-A2276 WeakPolarHBondContact CG-O 3.25Å; Y2211-A2276 HydrophobicContact CD1-CB 4.08Å; Y2211-A2276 HydrophobicContact CE1-CB 3.37Å; D2272-A2276 PolarHBondContact O-N 3.21Å; V2274-A2276 PolarHBondContact O-N 2.91Å; A2276-G2278 VanDerWaalsContact C-N 3.3Å |
| 2277 | L | 89.1 | Confident | 87 | Confident | 1 Ų | 1 | 12.7 Ų | 12.7 | 1% | 0.005 | 7% | 0.066 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | -15.3 | 173.6 | -49.6 | 173.4 | 0 | 0 | 0 | 112.3 | Y2211 I2212 I2215 V2274 H2275 G2281 L2282 F2286 | Y2211-L2277 HydrophobicContact CD1-CD2 4.17Å; Y2211-L2277 HydrophobicContact CE1-CD2 3.7Å; Y2211-L2277 HydrophobicContact CE1-CG 4.48Å; I2212-L2277 HydrophobicContact CB-CD2 4.22Å; I2212-L2277 HydrophobicContact CG1-CB 4.32Å; I2212-L2277 HydrophobicContact CG1-CD2 3.68Å; I2212-L2277 HydrophobicContact CG2-CD2 4.25Å; I2215-L2277 HydrophobicContact CG2-CD2 4.15Å; V2274-L2277 HydrophobicContact CG1-CD1 4.42Å; V2274-L2277 VanDerWaalsContact O-CB 3.25Å; V2274-L2277 WeakPolarHBondContact O-CB 3.49Å; V2274-L2277 WeakPolarHBondContact O-CG 3.41Å; V2274-L2277 PolarHBondContact O-N 3.4Å; H2275-L2277 PolarHBondContact O-N 3.09Å; L2277-G2281 WeakPolarHBondContact CB-O 3.41Å; L2277-L2282 HydrophobicContact CD1-CD2 3.68Å; L2277-L2282 HydrophobicContact CD1-CG 4.04Å; L2277-F2286 HydrophobicContact CD1-CB 4.07Å |
| 2278 | G | 85.4 | Confident | 86.3 | Confident | 3 Ų | 3 | 12.1 Ų | 12.1 | 3% | 0.031 | 6% | 0.064 | C | C | . | . | trans | 98.8 | -175.1 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | H2275 A2276 L2280 G2281 | H2275-G2278 PolarHBondContact O-N 3.06Å; A2276-G2278 VanDerWaalsContact C-N 3.3Å; G2278-L2280 VanDerWaalsContact C-N 3.32Å; G2278-L2280 PolarHBondContact O-N 3.38Å; G2278-G2281 WeakPolarHBondContact O-CA 3.44Å; G2278-G2281 PolarHBondContact O-N 3.22Å | ||
| 2279 | P | 80.3 | Confident | 85.8 | Confident | 6 Ų | 6 | 11.7 Ų | 11.7 | 4% | 0.039 | 6% | 0.062 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | -6.9 | -163.1 | 26.8 | -37 | 0 | 0 | 0 | 117 | E1218 W1221 I1231 W1241 | E1218-P2279 HydrophobicContact CG-CG 4.04Å; W1221-P2279 HydrophobicContact CB-CB 4.39Å; W1221-P2279 HydrophobicContact CD2-CB 3.68Å; W1221-P2279 HydrophobicContact CE3-CB 4.09Å; W1221-P2279 HydrophobicContact CG-CB 3.82Å; W1221-P2279 HydrophobicContact CZ2-CB 4.41Å; I1231-P2279 HydrophobicContact CD1-CB 3.59Å; I1231-P2279 HydrophobicContact CD1-CG 3.46Å; I1231-P2279 VanDerWaalsContact CD1-CG 3.46Å; I1231-P2279 HydrophobicContact CG1-CB 4.23Å; W1241-P2279 HydrophobicContact CZ3-CG 4.17Å |
| 2280 | L | 79.2 | Confident | 85.6 | Confident | 19 Ų | 19 | 11.6 Ų | 11.6 | 10% | 0.099 | 6% | 0.062 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.4 | 10.4 | 167.3 | -65.6 | 178.4 | 0 | 0 | 0 | 112.1 | I1231 W1241 A1256 G2278 L2282 Q2283 T2284 | I1231-L2280 HydrophobicContact CB-CD2 4.03Å; I1231-L2280 HydrophobicContact CD1-CG 4.37Å; I1231-L2280 HydrophobicContact CG2-CD2 4.08Å; W1241-L2280 HydrophobicContact CD2-CD1 4.28Å; W1241-L2280 HydrophobicContact CH2-CD1 4.47Å; W1241-L2280 HydrophobicContact CZ2-CD1 3.66Å; W1241-L2280 HydrophobicContact CZ2-CG 4.4Å; A1256-L2280 HydrophobicContact CB-CB 4.4Å; A1256-L2280 HydrophobicContact CB-CD1 3.95Å; G2278-L2280 VanDerWaalsContact C-N 3.32Å; G2278-L2280 PolarHBondContact O-N 3.38Å; L2280-L2282 PolarHBondContact O-N 3Å; L2280-Q2283 PolarHBondContact O-N 3.44Å; L2280-T2284 HydrophobicContact CB-CG2 3.91Å; L2280-T2284 WeakPolarHBondContact CB-OG1 3.46Å; L2280-T2284 HydrophobicContact CD1-CG2 4.36Å; L2280-T2284 PolarHBondContact O-OG1 3.22Å |
| 2281 | G | 83 | Confident | 85.3 | Confident | 12 Ų | 12 | 12.3 Ų | 12.3 | 12% | 0.124 | 7% | 0.065 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 50.7 | -121.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | L2277 G2278 Q2283 T2284 | L2277-G2281 WeakPolarHBondContact CB-O 3.41Å; G2278-G2281 WeakPolarHBondContact O-CA 3.44Å; G2278-G2281 PolarHBondContact O-N 3.22Å; G2281-Q2283 VanDerWaalsContact C-N 3.34Å; G2281-Q2283 PolarHBondContact O-N 3.25Å; G2281-T2284 PolarHBondContact N-OG1 3.37Å; G2281-T2284 PolarHBondContact O-N 3.45Å; G2281-T2284 PolarHBondContact O-OG1 3.25Å |
| 2282 | L | 85.8 | Confident | 84.6 | Confident | 28 Ų | 28 | 10.7 Ų | 10.7 | 15% | 0.147 | 6% | 0.059 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -25.8 | -169.2 | -69.6 | 158.2 | 0 | 0 | 0 | 114.4 | L2269 V2274 L2277 L2280 F2286 I2287 V2444 T2448 | L2269-L2282 HydrophobicContact CD1-CD2 3.99Å; L2269-L2282 HydrophobicContact CD2-CD1 4.11Å; L2269-L2282 HydrophobicContact CD2-CD2 3.43Å; L2269-L2282 VanDerWaalsContact CD2-CD2 3.43Å; L2269-L2282 HydrophobicContact CD2-CG 4.42Å; L2269-L2282 HydrophobicContact CG-CD2 3.95Å; V2274-L2282 HydrophobicContact CG1-CD1 4.45Å; V2274-L2282 HydrophobicContact CG1-CG 4.22Å; V2274-L2282 HydrophobicContact CG2-CD1 4.18Å; V2274-L2282 HydrophobicContact CG2-CD2 4.18Å; V2274-L2282 HydrophobicContact CG2-CG 4.18Å; L2277-L2282 HydrophobicContact CD1-CD2 3.68Å; L2277-L2282 HydrophobicContact CD1-CG 4.04Å; L2280-L2282 PolarHBondContact O-N 3Å; L2282-F2286 HydrophobicContact CD2-CB 4.03Å; L2282-F2286 HydrophobicContact CD2-CD1 3.56Å; L2282-F2286 HydrophobicContact CD2-CD2 4.39Å; L2282-F2286 HydrophobicContact CD2-CE1 4.14Å; L2282-F2286 HydrophobicContact CD2-CG 3.72Å; L2282-F2286 WeakPolarHBondContact O-CB 3.39Å; L2282-F2286 PolarHBondContact O-N 3.12Å; L2282-I2287 HydrophobicContact CB-CD1 4.06Å; L2282-I2287 HydrophobicContact CB-CG1 4.37Å; L2282-I2287 PolarHBondContact O-N 3.12Å; L2282-V2444 HydrophobicContact CD1-CG1 3.81Å; L2282-T2448 HydrophobicContact CD1-CG2 3.99Å |
| 2283 | Q | 79.9 | Confident | 84.4 | Confident | 55 Ų | 55 | 10.7 Ų | 10.7 | 26% | 0.257 | 6% | 0.059 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | -33.1 | -179.6 | -62.6 | -69.9 | 1.5 | 0 | 0 | 111.5 | A1256 T1259 L2280 G2281 G2285 | A1256-Q2283 HydrophobicContact CB-CB 3.49Å; A1256-Q2283 VanDerWaalsContact CB-CB 3.49Å; T1259-Q2283 PolarHBondContact OG1-OE1 2.91Å; L2280-Q2283 PolarHBondContact O-N 3.44Å; G2281-Q2283 VanDerWaalsContact C-N 3.34Å; G2281-Q2283 PolarHBondContact O-N 3.25Å; Q2283-G2285 PolarHBondContact O-N 2.69Å |
| 2284 | T | 69.9 | Low | 84.1 | Confident | 1 Ų | 1 | 10.6 Ų | 10.6 | 1% | 0.006 | 6% | 0.058 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | 10 | -175 | 0.6 | 0 | 0 | 0 | 0 | 116.5 | W1241 A1256 L2280 G2281 | W1241-T2284 HydrophobicContact CH2-CG2 3.8Å; W1241-T2284 HydrophobicContact CZ2-CG2 3.56Å; A1256-T2284 HydrophobicContact CB-CG2 4.28Å; L2280-T2284 HydrophobicContact CB-CG2 3.91Å; L2280-T2284 WeakPolarHBondContact CB-OG1 3.46Å; L2280-T2284 HydrophobicContact CD1-CG2 4.36Å; L2280-T2284 PolarHBondContact O-OG1 3.22Å; G2281-T2284 PolarHBondContact N-OG1 3.37Å; G2281-T2284 PolarHBondContact O-N 3.45Å; G2281-T2284 PolarHBondContact O-OG1 3.25Å |
| 2285 | G | 78.1 | Confident | 83.8 | Confident | 0 Ų | 0 | 10.5 Ų | 10.5 | 0% | 0 | 5% | 0.054 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 154.2 | -30.3 | 173 | 0 | 0 | 0 | 0 | 0 | 114.2 | W2102 Q2283 P2288 A2289 | W2102-G2285 VanDerWaalsContact CH2-C 3.46Å; W2102-G2285 WeakPolarHBondContact CH2-O 3.44Å; W2102-G2285 WeakPolarHBondContact CZ3-O 3.28Å; Q2283-G2285 PolarHBondContact O-N 2.69Å; G2285-P2288 WeakPolarHBondContact O-CD 3.24Å; G2285-A2289 VanDerWaalsContact O-CB 3.26Å; G2285-A2289 WeakPolarHBondContact O-CB 3.3Å; G2285-A2289 PolarHBondContact O-N 3.47Å |
| 2286 | F | 88.4 | Confident | 83.2 | Confident | 1 Ų | 1 | 9.9 Ų | 9.9 | 0% | 0.004 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -61.2 | -53 | -177.9 | 179.6 | -84.8 | 0 | 0 | 0 | 112.2 | I2212 I2215 A2216 F2267 L2269 L2277 L2282 A2289 A2290 V2444 | I2212-F2286 HydrophobicContact CG2-CB 4.44Å; I2215-F2286 HydrophobicContact CG1-CE2 4.46Å; I2215-F2286 HydrophobicContact CG2-CD2 3.93Å; I2215-F2286 HydrophobicContact CG2-CE2 4.16Å; A2216-F2286 HydrophobicContact CB-CD2 3.78Å; A2216-F2286 HydrophobicContact CB-CE2 3.94Å; A2216-F2286 HydrophobicContact CB-CG 4.33Å; F2267-F2286 HydrophobicContact CE2-CE1 4.35Å; F2267-F2286 AromaticContact CE2-CZ 3.81Å; F2267-F2286 HydrophobicContact CE2-CZ 3.81Å; F2267-F2286 HydrophobicContact CZ-CE1 4.42Å; F2267-F2286 HydrophobicContact CZ-CZ 4.17Å; L2269-F2286 HydrophobicContact CD1-CD2 4.19Å; L2269-F2286 HydrophobicContact CD1-CE1 4.26Å; L2269-F2286 HydrophobicContact CD1-CE2 3.58Å; L2269-F2286 HydrophobicContact CD1-CZ 3.63Å; L2269-F2286 HydrophobicContact CD2-CE1 4.09Å; L2269-F2286 HydrophobicContact CD2-CZ 4.18Å; L2277-F2286 HydrophobicContact CD1-CB 4.07Å; L2282-F2286 HydrophobicContact CD2-CB 4.03Å; L2282-F2286 HydrophobicContact CD2-CD1 3.56Å; L2282-F2286 HydrophobicContact CD2-CD2 4.39Å; L2282-F2286 HydrophobicContact CD2-CE1 4.14Å; L2282-F2286 HydrophobicContact CD2-CG 3.72Å; L2282-F2286 WeakPolarHBondContact O-CB 3.39Å; L2282-F2286 PolarHBondContact O-N 3.12Å; F2286-A2289 PolarHBondContact O-N 3.07Å; F2286-A2290 HydrophobicContact CE1-CB 4.25Å; F2286-A2290 VanDerWaalsContact O-CB 3.24Å; F2286-A2290 WeakPolarHBondContact O-CB 3.48Å; F2286-A2290 PolarHBondContact O-N 3.35Å; F2286-V2444 HydrophobicContact CD1-CG2 4.33Å; F2286-V2444 HydrophobicContact CE1-CG2 3.84Å |
| 2287 | I | 87.3 | Confident | 83 | Confident | 22 Ų | 22 | 10 Ų | 10 | 11% | 0.113 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -61.3 | -48.2 | 177.9 | -69.5 | 165.5 | 0 | 0 | 0 | 111.2 | L2282 A2289 A2290 E2291 I2440 V2444 | L2282-I2287 HydrophobicContact CB-CD1 4.06Å; L2282-I2287 HydrophobicContact CB-CG1 4.37Å; L2282-I2287 PolarHBondContact O-N 3.12Å; I2287-A2289 VanDerWaalsContact C-N 3.32Å; I2287-A2289 PolarHBondContact O-N 2.93Å; I2287-A2290 PolarHBondContact O-N 3.44Å; I2287-E2291 HydrophobicContact CG2-CG 4.45Å; I2287-E2291 WeakPolarHBondContact CG2-OE1 3.46Å; I2287-E2291 WeakPolarHBondContact O-CB 3.35Å; I2287-E2291 WeakPolarHBondContact O-CG 3Å; I2287-E2291 PolarHBondContact O-N 2.92Å; I2287-I2440 HydrophobicContact CG1-CG2 4.47Å; I2287-I2440 HydrophobicContact CG2-CG2 4.19Å; I2287-V2444 HydrophobicContact CG1-CG2 4.24Å |
| 2288 | P | 76.9 | Confident | 82.9 | Confident | 2 Ų | 2 | 12 Ų | 12 | 1% | 0.013 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -52.7 | -41.4 | 171.7 | -30.8 | 35.2 | 0 | 0 | 0 | 115.6 | M1252 R2099 W2102 G2285 T2292 | M1252-P2288 HydrophobicContact CB-CG 4.47Å; M1252-P2288 HydrophobicContact CE-CB 3.75Å; M1252-P2288 HydrophobicContact CE-CG 3.33Å; M1252-P2288 HydrophobicContact CG-CB 4.31Å; M1252-P2288 HydrophobicContact CG-CG 4.36Å; M1252-P2288 HydrophobicContact SD-CB 4.37Å; M1252-P2288 HydrophobicContact SD-CG 4.45Å; R2099-P2288 HydrophobicContact CG-CB 4.28Å; W2102-P2288 HydrophobicContact CZ3-CB 4.26Å; G2285-P2288 WeakPolarHBondContact O-CD 3.24Å; P2288-T2292 PolarHBondContact O-N 3.38Å; P2288-T2292 PolarHBondContact O-OG1 2.72Å |
| 2289 | A | 82.4 | Confident | 82.3 | Confident | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -67.4 | -50.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | W2102 L2103 A2216 G2285 F2286 I2287 E2291 T2292 V2293 | W2102-A2289 HydrophobicContact CH2-CB 4.21Å; W2102-A2289 HydrophobicContact CZ3-CB 4.03Å; L2103-A2289 HydrophobicContact CD2-CB 3.6Å; A2216-A2289 HydrophobicContact CB-CB 3.4Å; G2285-A2289 VanDerWaalsContact O-CB 3.26Å; G2285-A2289 WeakPolarHBondContact O-CB 3.3Å; G2285-A2289 PolarHBondContact O-N 3.47Å; F2286-A2289 PolarHBondContact O-N 3.07Å; I2287-A2289 VanDerWaalsContact C-N 3.32Å; I2287-A2289 PolarHBondContact O-N 2.93Å; A2289-E2291 PolarHBondContact O-N 3.37Å; A2289-T2292 PolarHBondContact O-N 2.84Å; A2289-T2292 VanDerWaalsContact O-N 3.1Å; A2289-V2293 VanDerWaalsContact O-CG2 3.32Å; A2289-V2293 WeakPolarHBondContact O-CG2 3.46Å; A2289-V2293 PolarHBondContact O-N 2.93Å |
| 2290 | A | 89.3 | Confident | 82.2 | Confident | 1 Ų | 1 | 16.9 Ų | 16.9 | 1% | 0.008 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -61.9 | -40.7 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | A2216 V2220 F2286 I2287 L2294 I2440 | A2216-A2290 HydrophobicContact CB-CB 4.44Å; V2220-A2290 HydrophobicContact CG2-CB 3.55Å; F2286-A2290 HydrophobicContact CE1-CB 4.25Å; F2286-A2290 VanDerWaalsContact O-CB 3.24Å; F2286-A2290 WeakPolarHBondContact O-CB 3.48Å; F2286-A2290 PolarHBondContact O-N 3.35Å; I2287-A2290 PolarHBondContact O-N 3.44Å; A2290-L2294 VanDerWaalsContact O-CB 3.32Å; A2290-L2294 WeakPolarHBondContact O-CB 3.26Å; A2290-L2294 PolarHBondContact O-N 3.25Å; A2290-I2440 HydrophobicContact CB-CD1 3.94Å; A2290-I2440 HydrophobicContact CB-CG1 4.3Å; A2290-I2440 HydrophobicContact CB-CG2 3.94Å |
| 2291 | E | 85 | Confident | 82.3 | Confident | 15 Ų | 15 | 17.5 Ų | 17.5 | 7% | 0.07 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -59 | -45.9 | 171.7 | -78.5 | 177.4 | -129.4 | 0 | 0 | 111.7 | R2099 I2287 A2289 L2294 R2295 V2436 I2440 | R2099-E2291 IonicContact CZ-OE1 2.67Å; R2099-E2291 VanDerWaalsContact CZ-OE1 3.3Å; R2099-E2291 IonicContact CZ-OE2 3.79Å; R2099-E2291 IonicContact NE-OE2 2.93Å; R2099-E2291 IonicContact NH1-OE1 2.91Å; R2099-E2291 PolarHBondContact NH1-OE1 2.93Å; R2099-E2291 IonicContact NH1-OE2 3.27Å; R2099-E2291 PolarHBondContact NH1-OE2 2.73Å; R2099-E2291 VanDerWaalsContact NH2-CD 3.33Å; R2099-E2291 IonicContact NH2-OE1 2.7Å; R2099-E2291 PolarHBondContact NH2-OE1 2.94Å; R2099-E2291 IonicContact NH2-OE2 2.72Å; R2099-E2291 PolarHBondContact NH2-OE2 3.41Å; I2287-E2291 HydrophobicContact CG2-CG 4.45Å; I2287-E2291 WeakPolarHBondContact CG2-OE1 3.46Å; I2287-E2291 WeakPolarHBondContact O-CB 3.35Å; I2287-E2291 WeakPolarHBondContact O-CG 3Å; I2287-E2291 PolarHBondContact O-N 2.92Å; A2289-E2291 PolarHBondContact O-N 3.37Å; E2291-L2294 PolarHBondContact O-N 2.85Å; E2291-R2295 WeakPolarHBondContact O-CB 3.24Å; E2291-R2295 PolarHBondContact O-N 3.09Å; E2291-V2436 HydrophobicContact CB-CG1 3.92Å; E2291-V2436 HydrophobicContact CG-CG1 4.22Å; E2291-V2436 WeakPolarHBondContact O-CG1 3.45Å; E2291-I2440 HydrophobicContact CG-CB 4.32Å; E2291-I2440 HydrophobicContact CG-CG1 4.2Å |
| 2292 | T | 78.4 | Confident | 81.9 | Confident | 2 Ų | 2 | 20.2 Ų | 20.2 | 1% | 0.012 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -69.9 | -44 | -176.6 | -54.3 | 0 | 0 | 0 | 0 | 110.9 | L2103 I2109 P2288 A2289 L2294 R2295 E2296 | L2103-T2292 HydrophobicContact CD1-CG2 3.8Å; I2109-T2292 HydrophobicContact CD1-CG2 4.04Å; P2288-T2292 PolarHBondContact O-N 3.38Å; P2288-T2292 PolarHBondContact O-OG1 2.72Å; A2289-T2292 PolarHBondContact O-N 2.84Å; A2289-T2292 VanDerWaalsContact O-N 3.1Å; T2292-L2294 PolarHBondContact O-N 3.32Å; T2292-R2295 PolarHBondContact O-N 2.92Å; T2292-E2296 WeakPolarHBondContact O-CG 3.38Å; T2292-E2296 PolarHBondContact O-N 2.76Å; T2292-E2296 VanDerWaalsContact O-N 3.07Å |
| 2293 | V | 86.6 | Confident | 81.6 | Confident | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -57.4 | -48.7 | 172.1 | 174.2 | 0 | 0 | 0 | 0 | 110.9 | L2074 I2109 V2217 V2220 V2221 A2289 R2295 E2296 L2297 | L2074-V2293 HydrophobicContact CD2-CB 4.39Å; L2074-V2293 HydrophobicContact CD2-CG2 4.03Å; I2109-V2293 HydrophobicContact CG2-CG2 3.7Å; V2217-V2293 HydrophobicContact CB-CG2 4.29Å; V2217-V2293 HydrophobicContact CG1-CG1 3.9Å; V2217-V2293 HydrophobicContact CG1-CG2 3.89Å; V2217-V2293 HydrophobicContact CG2-CG2 4.16Å; V2220-V2293 HydrophobicContact CB-CB 4.4Å; V2220-V2293 HydrophobicContact CB-CG1 3.85Å; V2220-V2293 HydrophobicContact CG1-CB 4.37Å; V2220-V2293 HydrophobicContact CG1-CG1 3.77Å; V2221-V2293 HydrophobicContact CG2-CG1 4.35Å; A2289-V2293 VanDerWaalsContact O-CG2 3.32Å; A2289-V2293 WeakPolarHBondContact O-CG2 3.46Å; A2289-V2293 PolarHBondContact O-N 2.93Å; V2293-R2295 PolarHBondContact O-N 3.32Å; V2293-E2296 PolarHBondContact O-N 2.6Å; V2293-L2297 HydrophobicContact CG1-CD1 3.57Å; V2293-L2297 HydrophobicContact CG1-CG 4.37Å; V2293-L2297 WeakPolarHBondContact O-CB 3.46Å; V2293-L2297 WeakPolarHBondContact O-CG 2.87Å; V2293-L2297 PolarHBondContact O-N 2.9Å; V2293-L2297 VanDerWaalsContact O-N 3.08Å |
| 2294 | L | 89.2 | Confident | 81.6 | Confident | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -62.1 | -44.5 | 179.9 | -178.3 | 59.2 | 0 | 0 | 0 | 111.3 | V2220 L2224 A2290 E2291 T2292 E2296 L2297 R2298 V2436 H2439 I2440 | V2220-L2294 HydrophobicContact CG1-CB 3.93Å; V2220-L2294 HydrophobicContact CG1-CD1 4.27Å; L2224-L2294 HydrophobicContact CD1-CD1 4.27Å; L2224-L2294 HydrophobicContact CD2-CD1 4.17Å; A2290-L2294 VanDerWaalsContact O-CB 3.32Å; A2290-L2294 WeakPolarHBondContact O-CB 3.26Å; A2290-L2294 PolarHBondContact O-N 3.25Å; E2291-L2294 PolarHBondContact O-N 2.85Å; T2292-L2294 PolarHBondContact O-N 3.32Å; L2294-E2296 PolarHBondContact O-N 2.92Å; L2294-L2297 PolarHBondContact O-N 3.47Å; L2294-R2298 HydrophobicContact CD1-CG 4.41Å; L2294-R2298 HydrophobicContact CG-CG 4.43Å; L2294-R2298 VanDerWaalsContact O-CG 3.25Å; L2294-R2298 WeakPolarHBondContact O-CG 3.35Å; L2294-R2298 PolarHBondContact O-N 3.24Å; L2294-V2436 HydrophobicContact CB-CG1 4.39Å; L2294-H2439 HydrophobicContact CD2-CB 4.06Å; L2294-I2440 HydrophobicContact CB-CD1 4.06Å; L2294-I2440 HydrophobicContact CB-CG1 4.42Å; L2294-I2440 HydrophobicContact CD2-CD1 3.76Å; L2294-I2440 HydrophobicContact CD2-CG1 3.96Å |
| 2295 | R | 84.7 | Confident | 82.1 | Confident | 31 Ų | 31 | 18.1 Ų | 18.1 | 12% | 0.117 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -56.8 | -49.2 | 178.4 | -169.7 | -176 | -51.8 | 96.3 | 10 | 111.7 | L2096 E2291 T2292 V2293 L2297 R2298 N2299 V2436 | L2096-R2295 VanDerWaalsContact CD2-NH2 3.35Å; E2291-R2295 WeakPolarHBondContact O-CB 3.24Å; E2291-R2295 PolarHBondContact O-N 3.09Å; T2292-R2295 PolarHBondContact O-N 2.92Å; V2293-R2295 PolarHBondContact O-N 3.32Å; R2295-L2297 VanDerWaalsContact C-N 3.31Å; R2295-L2297 PolarHBondContact O-N 2.98Å; R2295-R2298 WeakPolarHBondContact O-CB 3.3Å; R2295-R2298 PolarHBondContact O-N 3.28Å; R2295-R2298 VanDerWaalsContact O-N 3.09Å; R2295-N2299 VanDerWaalsContact O-CG 3.29Å; R2295-N2299 PolarHBondContact O-N 2.89Å; R2295-V2436 HydrophobicContact CB-CG1 4.34Å; R2295-V2436 HydrophobicContact CB-CG2 4.25Å; R2295-V2436 HydrophobicContact CG-CG2 4.46Å |
| 2296 | E | 78.5 | Confident | 81.8 | Confident | 9 Ų | 9 | 18.3 Ų | 18.3 | 4% | 0.042 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -73.5 | -24.7 | -176.3 | -54.5 | -32.2 | 125 | 0 | 0 | 113.3 | L2074 Y2077 T2292 V2293 L2294 N2299 G2300 | L2074-E2296 HydrophobicContact CD2-CB 4.35Å; Y2077-E2296 HydrophobicContact CD1-CG 3.89Å; Y2077-E2296 HydrophobicContact CD2-CG 4.12Å; Y2077-E2296 WeakPolarHBondContact CD2-OE2 3.45Å; Y2077-E2296 HydrophobicContact CE1-CG 4.45Å; Y2077-E2296 VanDerWaalsContact CE2-OE2 3.26Å; Y2077-E2296 WeakPolarHBondContact CE2-OE2 3.25Å; Y2077-E2296 VanDerWaalsContact CG-CD 3.44Å; Y2077-E2296 HydrophobicContact CG-CG 3.68Å; T2292-E2296 WeakPolarHBondContact O-CG 3.38Å; T2292-E2296 PolarHBondContact O-N 2.76Å; T2292-E2296 VanDerWaalsContact O-N 3.07Å; V2293-E2296 PolarHBondContact O-N 2.6Å; L2294-E2296 PolarHBondContact O-N 2.92Å; E2296-N2299 PolarHBondContact OE2-ND2 3.2Å; E2296-G2300 PolarHBondContact O-N 3.37Å |
| 2297 | L | 85.9 | Confident | 81.2 | Confident | 3 Ų | 3 | 18.4 Ų | 18.4 | 2% | 0.016 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -77.3 | -28 | 169.6 | -58.7 | 170.9 | 0 | 0 | 0 | 112 | A2070 L2073 V2220 V2221 L2224 V2293 L2294 R2295 G2300 S2301 I2304 L2408 | A2070-L2297 HydrophobicContact CB-CD2 3.81Å; L2073-L2297 HydrophobicContact CD1-CD2 4.08Å; V2220-L2297 HydrophobicContact CG1-CD1 4.47Å; V2221-L2297 HydrophobicContact CG2-CD1 3.65Å; L2224-L2297 HydrophobicContact CD1-CB 3.92Å; L2224-L2297 HydrophobicContact CD1-CD1 3.51Å; L2224-L2297 HydrophobicContact CD1-CG 4.37Å; V2293-L2297 HydrophobicContact CG1-CD1 3.57Å; V2293-L2297 HydrophobicContact CG1-CG 4.37Å; V2293-L2297 WeakPolarHBondContact O-CB 3.46Å; V2293-L2297 WeakPolarHBondContact O-CG 2.87Å; V2293-L2297 PolarHBondContact O-N 2.9Å; V2293-L2297 VanDerWaalsContact O-N 3.08Å; L2294-L2297 PolarHBondContact O-N 3.47Å; R2295-L2297 VanDerWaalsContact C-N 3.31Å; R2295-L2297 PolarHBondContact O-N 2.98Å; L2297-G2300 CarbonylContact O-C 3.55Å; L2297-S2301 VanDerWaalsContact O-CA 3.31Å; L2297-S2301 WeakPolarHBondContact O-CA 3.43Å; L2297-S2301 PolarHBondContact O-N 3.3Å; L2297-S2301 VanDerWaalsContact O-N 3.1Å; L2297-I2304 HydrophobicContact CB-CD1 3.8Å; L2297-I2304 HydrophobicContact CD2-CD1 3.77Å; L2297-I2304 HydrophobicContact CG-CD1 4.32Å; L2297-I2304 WeakPolarHBondContact O-CD1 3.29Å; L2297-L2408 HydrophobicContact CB-CD2 4.27Å; L2297-L2408 WeakPolarHBondContact O-CD2 3.43Å |
| 2298 | R | 85.9 | Confident | 80.6 | Confident | 41 Ų | 41 | 17.5 Ų | 17.5 | 16% | 0.155 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -65.9 | -49.5 | 166 | -57.1 | -153.8 | -173 | -176.9 | 9.1 | 110.6 | L2294 R2295 G2300 S2301 L2408 Q2409 L2434 D2435 H2439 | L2294-R2298 HydrophobicContact CD1-CG 4.41Å; L2294-R2298 HydrophobicContact CG-CG 4.43Å; L2294-R2298 VanDerWaalsContact O-CG 3.25Å; L2294-R2298 WeakPolarHBondContact O-CG 3.35Å; L2294-R2298 PolarHBondContact O-N 3.24Å; R2295-R2298 WeakPolarHBondContact O-CB 3.3Å; R2295-R2298 PolarHBondContact O-N 3.28Å; R2295-R2298 VanDerWaalsContact O-N 3.09Å; R2298-G2300 VanDerWaalsContact C-N 3.32Å; R2298-G2300 PolarHBondContact O-N 3.45Å; R2298-S2301 WeakPolarHBondContact O-CB 3.37Å; R2298-S2301 PolarHBondContact O-N 3.14Å; R2298-S2301 VanDerWaalsContact O-N 3.12Å; R2298-S2301 PolarHBondContact O-OG 2.78Å; R2298-L2408 WeakPolarHBondContact CD-O 3.34Å; R2298-L2408 WeakPolarHBondContact CG-O 3.24Å; R2298-Q2409 PolarHBondContact NH1-O 2.88Å; R2298-L2434 PolarHBondContact NH1-O 2.98Å; R2298-L2434 PolarHBondContact NH2-O 3.38Å; R2298-D2435 PolarHBondContact NH2-O 2.85Å; R2298-H2439 PolarHBondContact NH2-ND1 3.2Å |
| 2299 | N | 74.6 | Confident | 80.3 | Confident | 104 Ų | 104 | 20.4 Ų | 20.4 | 56% | 0.556 | 11% | 0.106 | S | C | * | . | H | α-helix | trans | -60.3 | -40.5 | 179 | -67.4 | -16.3 | 0 | 0 | 0 | 111.9 | R2295 E2296 S2301 | R2295-N2299 VanDerWaalsContact O-CG 3.29Å; R2295-N2299 PolarHBondContact O-N 2.89Å; E2296-N2299 PolarHBondContact OE2-ND2 3.2Å; N2299-S2301 VanDerWaalsContact C-N 3.35Å |
| 2300 | G | 77.6 | Confident | 79.1 | Confident | 9 Ų | 9 | 21 Ų | 21 | 9% | 0.093 | 11% | 0.109 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89 | 14.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | E2296 L2297 R2298 D2302 V2303 | E2296-G2300 PolarHBondContact O-N 3.37Å; L2297-G2300 CarbonylContact O-C 3.55Å; R2298-G2300 VanDerWaalsContact C-N 3.32Å; R2298-G2300 PolarHBondContact O-N 3.45Å; G2300-D2302 VanDerWaalsContact C-N 3.25Å; G2300-D2302 PolarHBondContact O-N 2.94Å; G2300-D2302 VanDerWaalsContact O-N 3.15Å; G2300-V2303 WeakPolarHBondContact O-CB 3.28Å; G2300-V2303 PolarHBondContact O-N 3.36Å |
| 2301 | S | 81.6 | Confident | 77.8 | Confident | 32 Ų | 32 | 21.3 Ų | 21.3 | 22% | 0.224 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -56.9 | -34.8 | -168.7 | 50.6 | 0 | 0 | 0 | 0 | 113.8 | L2297 R2298 N2299 V2303 I2304 L2305 | L2297-S2301 VanDerWaalsContact O-CA 3.31Å; L2297-S2301 WeakPolarHBondContact O-CA 3.43Å; L2297-S2301 PolarHBondContact O-N 3.3Å; L2297-S2301 VanDerWaalsContact O-N 3.1Å; R2298-S2301 WeakPolarHBondContact O-CB 3.37Å; R2298-S2301 PolarHBondContact O-N 3.14Å; R2298-S2301 VanDerWaalsContact O-N 3.12Å; R2298-S2301 PolarHBondContact O-OG 2.78Å; N2299-S2301 VanDerWaalsContact C-N 3.35Å; S2301-V2303 VanDerWaalsContact C-N 3.31Å; S2301-V2303 PolarHBondContact O-N 3.31Å; S2301-I2304 PolarHBondContact O-N 2.84Å; S2301-L2305 WeakPolarHBondContact O-CB 3.32Å; S2301-L2305 VanDerWaalsContact O-CG 3.23Å; S2301-L2305 WeakPolarHBondContact O-CG 3.16Å; S2301-L2305 PolarHBondContact O-N 3.03Å |
| 2302 | D | 74.7 | Confident | 76.7 | Confident | 69 Ų | 69 | 21.4 Ų | 21.4 | 37% | 0.369 | 11% | 0.112 | S | C | . | . | H | α-helix | trans | -57.2 | -38.3 | 173.4 | -80.3 | -54.2 | 0 | 0 | 0 | 113.9 | R1790 G2300 T2306 | R1790-D2302 IonicContact CZ-OD1 2.68Å; R1790-D2302 IonicContact NH1-OD1 2.79Å; R1790-D2302 PolarHBondContact NH1-OD1 3.01Å; R1790-D2302 IonicContact NH1-OD2 3.21Å; G2300-D2302 VanDerWaalsContact C-N 3.25Å; G2300-D2302 PolarHBondContact O-N 2.94Å; G2300-D2302 VanDerWaalsContact O-N 3.15Å; D2302-T2306 VanDerWaalsContact O-CB 3.28Å; D2302-T2306 WeakPolarHBondContact O-CB 3.4Å; D2302-T2306 PolarHBondContact O-N 3.28Å; D2302-T2306 PolarHBondContact O-OG1 3.46Å |
| 2303 | V | 78.5 | Confident | 75.4 | Confident | 12 Ų | 12 | 24.2 Ų | 24.2 | 7% | 0.073 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -67.2 | -45.9 | 179.6 | 174.2 | 0 | 0 | 0 | 0 | 110.2 | L1786 F1789 A2069 L2073 G2300 S2301 T2306 L2307 | L1786-V2303 HydrophobicContact CB-CG2 4.43Å; F1789-V2303 HydrophobicContact CB-CG1 4.47Å; F1789-V2303 HydrophobicContact CB-CG2 4.24Å; F1789-V2303 HydrophobicContact CD1-CG1 4.34Å; F1789-V2303 HydrophobicContact CD2-CB 4.45Å; F1789-V2303 HydrophobicContact CD2-CG1 3.67Å; F1789-V2303 HydrophobicContact CD2-CG2 4.18Å; F1789-V2303 HydrophobicContact CE2-CG1 3.9Å; F1789-V2303 HydrophobicContact CG-CB 4.48Å; F1789-V2303 HydrophobicContact CG-CG1 3.91Å; F1789-V2303 HydrophobicContact CG-CG2 4.42Å; F1789-V2303 HydrophobicContact CZ-CG1 4.33Å; A2069-V2303 HydrophobicContact CB-CG1 4.27Å; L2073-V2303 HydrophobicContact CD1-CB 4.37Å; L2073-V2303 HydrophobicContact CD2-CG2 4.29Å; G2300-V2303 WeakPolarHBondContact O-CB 3.28Å; G2300-V2303 PolarHBondContact O-N 3.36Å; S2301-V2303 VanDerWaalsContact C-N 3.31Å; S2301-V2303 PolarHBondContact O-N 3.31Å; V2303-T2306 PolarHBondContact O-N 3.44Å; V2303-L2307 HydrophobicContact CG1-CD1 4.31Å; V2303-L2307 PolarHBondContact O-N 3.29Å; V2303-L2307 VanDerWaalsContact O-N 3.12Å |
| 2304 | I | 81.1 | Confident | 74 | Confident | 11 Ų | 11 | 25 Ų | 25 | 6% | 0.056 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -65 | -48.3 | 178.5 | -58.8 | 157.4 | 0 | 0 | 0 | 110 | L2073 L2297 S2301 T2306 L2307 L2308 L2408 | L2073-I2304 HydrophobicContact CD1-CD1 4.16Å; L2073-I2304 HydrophobicContact CD1-CG1 4.08Å; L2297-I2304 HydrophobicContact CB-CD1 3.8Å; L2297-I2304 HydrophobicContact CD2-CD1 3.77Å; L2297-I2304 HydrophobicContact CG-CD1 4.32Å; L2297-I2304 WeakPolarHBondContact O-CD1 3.29Å; S2301-I2304 PolarHBondContact O-N 2.84Å; I2304-T2306 VanDerWaalsContact C-N 3.3Å; I2304-T2306 PolarHBondContact O-N 3.23Å; I2304-L2307 PolarHBondContact O-N 3.27Å; I2304-L2308 HydrophobicContact CG2-CD1 4Å; I2304-L2308 HydrophobicContact CG2-CG 4.49Å; I2304-L2308 WeakPolarHBondContact O-CG 3.22Å; I2304-L2308 PolarHBondContact O-N 2.98Å; I2304-L2408 HydrophobicContact CD1-CD2 4.12Å; I2304-L2408 HydrophobicContact CG2-CD1 4.42Å |
| 2305 | L | 78.8 | Confident | 72.1 | Confident | 17 Ų | 17 | 27.8 Ų | 27.8 | 9% | 0.089 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -63.3 | -35.7 | 179 | -68.9 | 170.7 | 0 | 0 | 0 | 111.5 | S2301 L2308 Q2309 L2401 K2405 L2408 | S2301-L2305 WeakPolarHBondContact O-CB 3.32Å; S2301-L2305 VanDerWaalsContact O-CG 3.23Å; S2301-L2305 WeakPolarHBondContact O-CG 3.16Å; S2301-L2305 PolarHBondContact O-N 3.03Å; L2305-L2308 PolarHBondContact O-N 2.8Å; L2305-Q2309 WeakPolarHBondContact O-CA 3.4Å; L2305-Q2309 WeakPolarHBondContact O-CB 3.49Å; L2305-Q2309 WeakPolarHBondContact O-CG 3.42Å; L2305-Q2309 PolarHBondContact O-N 3.48Å; L2305-L2401 HydrophobicContact CD2-CD2 3.88Å; L2305-L2401 HydrophobicContact CD2-CG 4.33Å; L2305-K2405 HydrophobicContact CD1-CB 4.43Å; L2305-K2405 HydrophobicContact CD1-CD 4.48Å; L2305-K2405 HydrophobicContact CD1-CG 4.13Å; L2305-K2405 HydrophobicContact CD2-CB 4Å; L2305-L2408 HydrophobicContact CD2-CD1 4.2Å; L2305-L2408 HydrophobicContact CG-CD1 4.09Å |
| 2306 | T | 73.2 | Confident | 70.6 | Confident | 3 Ų | 3 | 27.7 Ų | 27.7 | 2% | 0.018 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -63.3 | -45.3 | 174 | -59.5 | 0 | 0 | 0 | 0 | 112 | F1789 S1793 D2302 V2303 I2304 L2308 Q2309 | F1789-T2306 HydrophobicContact CB-CG2 4.13Å; F1789-T2306 HydrophobicContact CD1-CG2 4.16Å; F1789-T2306 WeakPolarHBondContact O-CG2 3.39Å; S1793-T2306 WeakPolarHBondContact CB-OG1 3.27Å; D2302-T2306 VanDerWaalsContact O-CB 3.28Å; D2302-T2306 WeakPolarHBondContact O-CB 3.4Å; D2302-T2306 PolarHBondContact O-N 3.28Å; D2302-T2306 PolarHBondContact O-OG1 3.46Å; V2303-T2306 PolarHBondContact O-N 3.44Å; I2304-T2306 VanDerWaalsContact C-N 3.3Å; I2304-T2306 PolarHBondContact O-N 3.23Å; T2306-L2308 VanDerWaalsContact C-N 3.32Å; T2306-L2308 PolarHBondContact O-N 2.97Å; T2306-Q2309 PolarHBondContact O-N 3.35Å |
| 2307 | L | 74.5 | Confident | 69.6 | Low | 4 Ų | 4 | 27.6 Ų | 27.6 | 2% | 0.021 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -61.6 | -41.9 | 178.1 | -78.2 | 160.1 | 0 | 0 | 0 | 111.7 | F1789 V2066 A2069 V2303 I2304 | F1789-L2307 HydrophobicContact CD1-CG 4.19Å; F1789-L2307 HydrophobicContact CE1-CD1 4.08Å; F1789-L2307 HydrophobicContact CE1-CD2 3.7Å; F1789-L2307 HydrophobicContact CE1-CG 3.74Å; F1789-L2307 HydrophobicContact CZ-CD1 4.43Å; F1789-L2307 HydrophobicContact CZ-CD2 4.47Å; V2066-L2307 HydrophobicContact CG2-CB 4.49Å; A2069-L2307 HydrophobicContact CB-CD1 3.26Å; V2303-L2307 HydrophobicContact CG1-CD1 4.31Å; V2303-L2307 PolarHBondContact O-N 3.29Å; V2303-L2307 VanDerWaalsContact O-N 3.12Å; I2304-L2307 PolarHBondContact O-N 3.27Å |
| 2308 | L | 75.7 | Confident | 68.5 | Low | 2 Ų | 2 | 29.6 Ų | 29.6 | 1% | 0.01 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -74.1 | -31.4 | 177.7 | -63.7 | 179.2 | 0 | 0 | 0 | 113.1 | V2066 V2225 F2253 I2304 L2305 T2306 V2310 L2311 L2401 V2404 | V2066-L2308 HydrophobicContact CG2-CD2 4.12Å; V2225-L2308 HydrophobicContact CG1-CD2 4.31Å; F2253-L2308 HydrophobicContact CE1-CD1 4.3Å; F2253-L2308 HydrophobicContact CE1-CD2 3.67Å; F2253-L2308 HydrophobicContact CZ-CD2 3.52Å; I2304-L2308 HydrophobicContact CG2-CD1 4Å; I2304-L2308 HydrophobicContact CG2-CG 4.49Å; I2304-L2308 WeakPolarHBondContact O-CG 3.22Å; I2304-L2308 PolarHBondContact O-N 2.98Å; L2305-L2308 PolarHBondContact O-N 2.8Å; T2306-L2308 VanDerWaalsContact C-N 3.32Å; T2306-L2308 PolarHBondContact O-N 2.97Å; L2308-V2310 PolarHBondContact O-N 3.07Å; L2308-L2311 HydrophobicContact CD2-CD1 4.16Å; L2308-L2311 WeakPolarHBondContact O-CB 3.28Å; L2308-L2311 PolarHBondContact O-N 3.49Å; L2308-L2311 VanDerWaalsContact O-N 3.16Å; L2308-L2401 VanDerWaalsContact C-CD1 3.46Å; L2308-L2401 HydrophobicContact CB-CD1 3.8Å; L2308-L2401 HydrophobicContact CB-CG 4.45Å; L2308-V2404 HydrophobicContact CD1-CB 4.28Å; L2308-V2404 HydrophobicContact CD1-CG1 3.79Å; L2308-V2404 HydrophobicContact CD1-CG2 4.22Å |
| 2309 | Q | 69.5 | Low | 67.4 | Low | 64 Ų | 64 | 28.2 Ų | 28.2 | 30% | 0.299 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -7.5 | -179.6 | -95.3 | 176.8 | -1.5 | 0 | 0 | 114.4 | S1793 L2305 T2306 F2313 L2401 | S1793-Q2309 PolarHBondContact OG-OE1 2.93Å; L2305-Q2309 WeakPolarHBondContact O-CA 3.4Å; L2305-Q2309 WeakPolarHBondContact O-CB 3.49Å; L2305-Q2309 WeakPolarHBondContact O-CG 3.42Å; L2305-Q2309 PolarHBondContact O-N 3.48Å; T2306-Q2309 PolarHBondContact O-N 3.35Å; Q2309-F2313 VanDerWaalsContact O-CD2 3.25Å; Q2309-F2313 WeakPolarHBondContact O-CD2 3.23Å; Q2309-F2313 WeakPolarHBondContact O-CE2 3.18Å; Q2309-L2401 HydrophobicContact CB-CD1 4.28Å; Q2309-L2401 HydrophobicContact CG-CD1 3.86Å; Q2309-L2401 HydrophobicContact CG-CD2 4.26Å |
| 2310 | V | 58.8 | Low | 66.9 | Low | 11 Ų | 11 | 26 Ų | 26 | 7% | 0.067 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.9 | -22.7 | -179.7 | -172.3 | 0 | 0 | 0 | 0 | 112.6 | Q1832 L2308 L2312 F2313 D2314 | Q1832-V2310 HydrophobicContact CB-CB 4.07Å; Q1832-V2310 HydrophobicContact CB-CG1 3.88Å; Q1832-V2310 HydrophobicContact CB-CG2 3.91Å; Q1832-V2310 HydrophobicContact CG-CB 3.8Å; Q1832-V2310 HydrophobicContact CG-CG1 4.1Å; Q1832-V2310 HydrophobicContact CG-CG2 3.81Å; Q1832-V2310 WeakPolarHBondContact O-CG1 3.47Å; L2308-V2310 PolarHBondContact O-N 3.07Å; V2310-L2312 PolarHBondContact O-N 3.29Å; V2310-F2313 PolarHBondContact O-N 2.93Å; V2310-D2314 PolarHBondContact O-N 3.28Å |
| 2311 | L | 61.7 | Low | 66.2 | Low | 8 Ų | 8 | 26.6 Ų | 26.6 | 4% | 0.042 | 15% | 0.15 | C | C | . | . | G | 310 helix | trans | -58.9 | -28.9 | 165.5 | -63.5 | -179.7 | 0 | 0 | 0 | 111.7 | V2062 F2253 L2308 F2313 D2314 Y2317 W2319 | V2062-L2311 HydrophobicContact CB-CD2 4.44Å; V2062-L2311 HydrophobicContact CG1-CD1 4.1Å; V2062-L2311 HydrophobicContact CG1-CD2 4.02Å; V2062-L2311 HydrophobicContact CG1-CG 4.27Å; V2062-L2311 HydrophobicContact CG2-CD2 4.14Å; F2253-L2311 HydrophobicContact CE2-CD1 3.9Å; F2253-L2311 HydrophobicContact CZ-CD1 3.77Å; L2308-L2311 HydrophobicContact CD2-CD1 4.16Å; L2308-L2311 WeakPolarHBondContact O-CB 3.28Å; L2308-L2311 PolarHBondContact O-N 3.49Å; L2308-L2311 VanDerWaalsContact O-N 3.16Å; L2311-F2313 PolarHBondContact O-N 2.92Å; L2311-F2313 VanDerWaalsContact O-N 3.12Å; L2311-D2314 PolarHBondContact O-N 3.49Å; L2311-Y2317 HydrophobicContact CD1-CE2 4.23Å; L2311-Y2317 HydrophobicContact CD2-CD2 3.53Å; L2311-Y2317 HydrophobicContact CD2-CE2 3.79Å; L2311-Y2317 HydrophobicContact CD2-CG 4.02Å; L2311-W2319 VanDerWaalsContact C-CZ2 3.44Å; L2311-W2319 HydrophobicContact CB-CH2 3.59Å; L2311-W2319 HydrophobicContact CB-CZ2 3.22Å; L2311-W2319 HydrophobicContact CD1-CH2 3.96Å; L2311-W2319 HydrophobicContact CD1-CZ2 4.41Å; L2311-W2319 HydrophobicContact CG-CH2 4.45Å; L2311-W2319 HydrophobicContact CG-CZ2 4.45Å; L2311-W2319 PolarHBondContact O-NE1 3.25Å |
| 2312 | L | 60.3 | Low | 65.4 | Low | 18 Ų | 18 | 27.1 Ų | 27.1 | 9% | 0.094 | 15% | 0.153 | C | C | . | . | G | 310 helix | trans | -55.6 | -22.8 | 172.7 | -100.7 | 165.1 | 0 | 0 | 0 | 114 | V2310 N2394 A2397 E2398 L2401 | V2310-L2312 PolarHBondContact O-N 3.29Å; L2312-N2394 WeakPolarHBondContact CD2-O 3.48Å; L2312-A2397 HydrophobicContact CD2-CB 3.49Å; L2312-A2397 VanDerWaalsContact CD2-CB 3.49Å; L2312-A2397 HydrophobicContact CG-CB 4Å; L2312-E2398 HydrophobicContact CD2-CG 3.73Å; L2312-L2401 HydrophobicContact CD1-CD1 3.97Å |
| 2313 | F | 52.6 | Low | 64.8 | Low | 61 Ų | 61 | 28.9 Ų | 28.9 | 27% | 0.268 | 17% | 0.169 | S | C | . | . | G | 310 helix | trans | -125.8 | 11.2 | -172.9 | -54.3 | -83.1 | 0 | 0 | 0 | 112.5 | N1800 R1916 Q2309 V2310 L2311 P2315 | N1800-F2313 VanDerWaalsContact ND2-CE1 3.3Å; N1800-F2313 WeakPolarHBondContact ND2-CE1 3.48Å; N1800-F2313 WeakPolarHBondContact ND2-CZ 3.39Å; R1916-F2313 PolarHBondContact NH1-O 3.39Å; R1916-F2313 PolarHBondContact NH2-O 3.12Å; Q2309-F2313 VanDerWaalsContact O-CD2 3.25Å; Q2309-F2313 WeakPolarHBondContact O-CD2 3.23Å; Q2309-F2313 WeakPolarHBondContact O-CE2 3.18Å; V2310-F2313 PolarHBondContact O-N 2.93Å; L2311-F2313 PolarHBondContact O-N 2.92Å; L2311-F2313 VanDerWaalsContact O-N 3.12Å; F2313-P2315 WeakPolarHBondContact O-CD 3.36Å |
| 2314 | D | 56.3 | Low | 63.9 | Low | 16 Ų | 16 | 31.8 Ų | 31.8 | 9% | 0.086 | 19% | 0.194 | C | C | . | . | trans | -93.4 | 102.2 | 168.5 | -178.4 | 14.9 | 0 | 0 | 0 | 109.8 | V1835 R2058 V2310 L2311 L2316 Y2317 | V1835-D2314 HydrophobicContact CG1-CB 3.83Å; R2058-D2314 IonicContact CZ-OD2 3.85Å; R2058-D2314 IonicContact NH1-OD1 2.87Å; R2058-D2314 IonicContact NH1-OD2 3.77Å; R2058-D2314 PolarHBondContact NH1-OD2 3.24Å; R2058-D2314 IonicContact NH2-OD2 3.73Å; V2310-D2314 PolarHBondContact O-N 3.28Å; L2311-D2314 PolarHBondContact O-N 3.49Å; D2314-L2316 PolarHBondContact O-N 2.99Å; D2314-L2316 WeakPolarHBondContact OD1-CB 3.42Å; D2314-L2316 PolarHBondContact OD1-N 3.4Å; D2314-L2316 VanDerWaalsContact OD1-N 3.12Å; D2314-Y2317 WeakPolarHBondContact O-CB 3.41Å; D2314-Y2317 PolarHBondContact O-N 3.14Å | ||
| 2315 | P | 49.2 | Very low | 63.2 | Low | 58 Ų | 58 | 34.6 Ų | 34.6 | 38% | 0.377 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | -9.5 | -178.1 | 33.6 | -38.3 | 0 | 0 | 0 | 112.5 | F2313 | F2313-P2315 WeakPolarHBondContact O-CD 3.36Š|
| 2316 | L | 54.3 | Low | 62.7 | Low | 30 Ų | 30 | 35.7 Ų | 35.7 | 16% | 0.157 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | -16.2 | 170.3 | -63.8 | 175.2 | 0 | 0 | 0 | 111.9 | F1872 L1913 R2058 Q2121 D2314 S2318 | F1872-L2316 HydrophobicContact CZ-CD1 4.14Å; L1913-L2316 HydrophobicContact CD1-CD1 3.91Å; L1913-L2316 HydrophobicContact CD1-CD2 3.71Å; L1913-L2316 HydrophobicContact CD1-CG 3.92Å; L1913-L2316 HydrophobicContact CD2-CD2 3.67Å; L1913-L2316 HydrophobicContact CG-CD2 4.3Å; R2058-L2316 VanDerWaalsContact NH1-CB 3.33Å; R2058-L2316 VanDerWaalsContact NH2-C 3.31Å; R2058-L2316 PolarHBondContact NH2-O 2.96Å; Q2121-L2316 HydrophobicContact CG-CD2 4.37Å; D2314-L2316 PolarHBondContact O-N 2.99Å; D2314-L2316 WeakPolarHBondContact OD1-CB 3.42Å; D2314-L2316 PolarHBondContact OD1-N 3.4Å; D2314-L2316 VanDerWaalsContact OD1-N 3.12Å; L2316-S2318 PolarHBondContact O-N 3.48Å |
| 2317 | Y | 57.2 | Low | 62.3 | Low | 7 Ų | 7 | 43.9 Ų | 43.9 | 3% | 0.027 | 24% | 0.244 | C | C | . | . | trans | -78.1 | 114.8 | -174.4 | -165.2 | -87.6 | 0 | 0 | 0 | 111.6 | Q2059 F2253 L2311 D2314 W2319 | Q2059-Y2317 HydrophobicContact CB-CE2 4.42Å; Q2059-Y2317 HydrophobicContact CG-CD2 4.47Å; Q2059-Y2317 HydrophobicContact CG-CE2 3.74Å; F2253-Y2317 HydrophobicContact CD2-CE1 4.5Å; F2253-Y2317 HydrophobicContact CE2-CE1 4.44Å; F2253-Y2317 WeakPolarHBondContact CE2-OH 3.38Å; L2311-Y2317 HydrophobicContact CD1-CE2 4.23Å; L2311-Y2317 HydrophobicContact CD2-CD2 3.53Å; L2311-Y2317 HydrophobicContact CD2-CE2 3.79Å; L2311-Y2317 HydrophobicContact CD2-CG 4.02Å; D2314-Y2317 WeakPolarHBondContact O-CB 3.41Å; D2314-Y2317 PolarHBondContact O-N 3.14Å; Y2317-W2319 AromaticContact CD1-CD1 3.81Å; Y2317-W2319 AromaticContact CD1-CD2 3.57Å; Y2317-W2319 HydrophobicContact CD1-CD2 3.57Å; Y2317-W2319 AromaticContact CD1-CE2 3.68Å; Y2317-W2319 HydrophobicContact CD1-CE3 4.01Å; Y2317-W2319 AromaticContact CD1-CG 3.79Å; Y2317-W2319 HydrophobicContact CD1-CG 3.79Å; Y2317-W2319 HydrophobicContact CD1-CZ2 4.35Å; Y2317-W2319 AromaticContact CD1-NE1 3.72Å; Y2317-W2319 AromaticContact CE1-CD2 3.79Å; Y2317-W2319 HydrophobicContact CE1-CD2 3.79Å; Y2317-W2319 AromaticContact CE1-CE3 3.72Å; Y2317-W2319 HydrophobicContact CE1-CE3 3.72Å; Y2317-W2319 HydrophobicContact CE1-CG 4.29Å; Y2317-W2319 HydrophobicContact CE1-CZ3 4.08Å; Y2317-W2319 PolarHBondContact O-N 3.28Å | ||
| 2318 | S | 62 | Low | 61.9 | Low | 45 Ų | 45 | 45.9 Ų | 45.9 | 32% | 0.315 | 26% | 0.261 | S | S | . | . | trans | -79.2 | 91.9 | 179.8 | -152.4 | 0 | 0 | 0 | 0 | 110.8 | L2316 S2320 | L2316-S2318 PolarHBondContact O-N 3.48Å; S2318-S2320 VanDerWaalsContact C-N 3.27Å; S2318-S2320 PolarHBondContact O-N 3.42Å; S2318-S2320 PolarHBondContact OG-O 2.89Å; S2318-S2320 VanDerWaalsContact OG-O 3.13Å | ||
| 2319 | W | 62.7 | Low | 61.5 | Low | 11 Ų | 11 | 47 Ų | 47 | 4% | 0.042 | 27% | 0.267 | C | S | . | . | trans | -70.8 | -17.3 | -179.3 | -76.7 | 106.2 | 0 | 0 | 0 | 114.5 | F2253 Q2255 L2311 Y2317 L2396 A2397 V2400 | F2253-W2319 HydrophobicContact CD1-CZ3 4.27Å; F2253-W2319 HydrophobicContact CD2-CE3 4.33Å; F2253-W2319 AromaticContact CD2-CZ3 3.78Å; F2253-W2319 HydrophobicContact CD2-CZ3 3.78Å; F2253-W2319 HydrophobicContact CE1-CZ3 4.47Å; F2253-W2319 HydrophobicContact CE2-CZ3 4.03Å; F2253-W2319 AromaticContact CG-CZ3 3.93Å; F2253-W2319 HydrophobicContact CG-CZ3 3.93Å; F2253-W2319 HydrophobicContact CZ-CZ3 4.37Å; Q2255-W2319 VanDerWaalsContact NE2-C 3.3Å; Q2255-W2319 PolarHBondContact NE2-O 3.07Å; L2311-W2319 VanDerWaalsContact C-CZ2 3.44Å; L2311-W2319 HydrophobicContact CB-CH2 3.59Å; L2311-W2319 HydrophobicContact CB-CZ2 3.22Å; L2311-W2319 HydrophobicContact CD1-CH2 3.96Å; L2311-W2319 HydrophobicContact CD1-CZ2 4.41Å; L2311-W2319 HydrophobicContact CG-CH2 4.45Å; L2311-W2319 HydrophobicContact CG-CZ2 4.45Å; L2311-W2319 PolarHBondContact O-NE1 3.25Å; Y2317-W2319 AromaticContact CD1-CD1 3.81Å; Y2317-W2319 AromaticContact CD1-CD2 3.57Å; Y2317-W2319 HydrophobicContact CD1-CD2 3.57Å; Y2317-W2319 AromaticContact CD1-CE2 3.68Å; Y2317-W2319 HydrophobicContact CD1-CE3 4.01Å; Y2317-W2319 AromaticContact CD1-CG 3.79Å; Y2317-W2319 HydrophobicContact CD1-CG 3.79Å; Y2317-W2319 HydrophobicContact CD1-CZ2 4.35Å; Y2317-W2319 AromaticContact CD1-NE1 3.72Å; Y2317-W2319 AromaticContact CE1-CD2 3.79Å; Y2317-W2319 HydrophobicContact CE1-CD2 3.79Å; Y2317-W2319 AromaticContact CE1-CE3 3.72Å; Y2317-W2319 HydrophobicContact CE1-CE3 3.72Å; Y2317-W2319 HydrophobicContact CE1-CG 4.29Å; Y2317-W2319 HydrophobicContact CE1-CZ3 4.08Å; Y2317-W2319 PolarHBondContact O-N 3.28Å; W2319-L2396 HydrophobicContact CB-CD2 4.31Å; W2319-A2397 HydrophobicContact CD2-CB 3.79Å; W2319-A2397 HydrophobicContact CG-CB 4.05Å; W2319-A2397 HydrophobicContact CH2-CB 4.34Å; W2319-A2397 HydrophobicContact CZ2-CB 3.53Å; W2319-V2400 HydrophobicContact CE3-CB 4.41Å; W2319-V2400 HydrophobicContact CE3-CG1 4.29Å; W2319-V2400 HydrophobicContact CE3-CG2 4.34Å; W2319-V2400 HydrophobicContact CH2-CG1 4.29Å; W2319-V2400 HydrophobicContact CZ3-CB 4.09Å; W2319-V2400 HydrophobicContact CZ3-CG1 3.61Å; W2319-V2400 HydrophobicContact CZ3-CG2 4.45Å | ||
| 2320 | S | 63.9 | Low | 61.3 | Low | 57 Ų | 57 | 47.7 Ų | 47.7 | 40% | 0.399 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -123.2 | 146.2 | 171 | 54 | 0 | 0 | 0 | 0 | 110.3 | S2318 S2322 | S2318-S2320 VanDerWaalsContact C-N 3.27Å; S2318-S2320 PolarHBondContact O-N 3.42Å; S2318-S2320 PolarHBondContact OG-O 2.89Å; S2318-S2320 VanDerWaalsContact OG-O 3.13Å; S2320-S2322 PolarHBondContact O-N 2.74Å |
| 2321 | L | 64.2 | Low | 61.3 | Low | 23 Ų | 23 | 49.2 Ų | 49.2 | 12% | 0.12 | 28% | 0.284 | C | S | . | . | trans | -69.4 | 123.4 | 169 | -70.3 | 167.2 | 0 | 0 | 0 | 108.7 | Q2255 L2259 Q2325 L2326 L2329 | Q2255-L2321 HydrophobicContact CB-CD1 4.1Å; Q2255-L2321 HydrophobicContact CB-CG 4.4Å; L2259-L2321 HydrophobicContact CD2-CD1 3.86Å; L2321-Q2325 HydrophobicContact CD2-CB 4.2Å; L2321-L2326 HydrophobicContact CB-CD2 3.79Å; L2321-L2326 HydrophobicContact CB-CG 3.91Å; L2321-L2326 HydrophobicContact CD1-CD2 3.75Å; L2321-L2326 HydrophobicContact CG-CD2 4.42Å; L2321-L2329 HydrophobicContact CD1-CD1 4.06Å; L2321-L2329 HydrophobicContact CD2-CD1 4.19Å | ||
| 2322 | S | 63.6 | Low | 61.4 | Low | 42 Ų | 42 | 52 Ų | 52 | 29% | 0.294 | 30% | 0.296 | S | S | . | . | trans | -63.6 | 154.3 | 173.1 | 64.5 | 0 | 0 | 0 | 0 | 111.1 | S2320 A2324 Q2325 L2326 | S2320-S2322 PolarHBondContact O-N 2.74Å; S2322-A2324 PolarHBondContact O-N 3.3Å; S2322-A2324 VanDerWaalsContact O-N 3.12Å; S2322-Q2325 PolarHBondContact O-N 3.13Å; S2322-Q2325 WeakPolarHBondContact OG-CG 3.39Å; S2322-Q2325 PolarHBondContact OG-N 3.06Å; S2322-Q2325 PolarHBondContact OG-OE1 3.31Å; S2322-L2326 PolarHBondContact O-N 3.02Å | ||
| 2323 | P | 62 | Low | 61.6 | Low | 106 Ų | 106 | 52.3 Ų | 52.3 | 69% | 0.688 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -54.1 | -33.8 | 176 | -27.9 | 35.9 | 0 | 0 | 0 | 113.3 | L2326 Y2327 | P2323-L2326 PolarHBondContact O-N 3.28Å; P2323-Y2327 PolarHBondContact O-N 2.85Å |
| 2324 | A | 60.9 | Low | 61.6 | Low | 73 Ų | 73 | 51.8 Ų | 51.8 | 60% | 0.603 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -68.3 | -39.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | S2322 Y2327 A2328 | S2322-A2324 PolarHBondContact O-N 3.3Å; S2322-A2324 VanDerWaalsContact O-N 3.12Å; A2324-Y2327 PolarHBondContact O-N 2.86Å; A2324-A2328 VanDerWaalsContact O-CB 3.26Å; A2324-A2328 WeakPolarHBondContact O-CB 3.44Å; A2324-A2328 PolarHBondContact O-N 3.06Å |
| 2325 | Q | 65.5 | Low | 61.3 | Low | 71 Ų | 71 | 54.8 Ų | 54.8 | 33% | 0.332 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -68.6 | -37.8 | 174 | -75.8 | 160.7 | -54.1 | 0 | 0 | 112 | L2321 S2322 A2328 L2329 | L2321-Q2325 HydrophobicContact CD2-CB 4.2Å; S2322-Q2325 PolarHBondContact O-N 3.13Å; S2322-Q2325 WeakPolarHBondContact OG-CG 3.39Å; S2322-Q2325 PolarHBondContact OG-N 3.06Å; S2322-Q2325 PolarHBondContact OG-OE1 3.31Å; Q2325-A2328 PolarHBondContact O-N 3.38Å; Q2325-L2329 WeakPolarHBondContact O-CB 3.42Å; Q2325-L2329 VanDerWaalsContact O-CG 3.32Å; Q2325-L2329 WeakPolarHBondContact O-CG 3.43Å; Q2325-L2329 PolarHBondContact O-N 3.02Å |
| 2326 | L | 68.3 | Low | 61.4 | Low | 39 Ų | 39 | 55.2 Ų | 55.2 | 20% | 0.204 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -59.9 | -49.1 | 172.8 | -68.7 | 172.2 | 0 | 0 | 0 | 110.9 | L2259 L2321 S2322 P2323 A2328 L2329 E2330 | L2259-L2326 HydrophobicContact CD2-CD2 3.72Å; L2321-L2326 HydrophobicContact CB-CD2 3.79Å; L2321-L2326 HydrophobicContact CB-CG 3.91Å; L2321-L2326 HydrophobicContact CD1-CD2 3.75Å; L2321-L2326 HydrophobicContact CG-CD2 4.42Å; S2322-L2326 PolarHBondContact O-N 3.02Å; P2323-L2326 PolarHBondContact O-N 3.28Å; L2326-A2328 VanDerWaalsContact C-N 3.35Å; L2326-A2328 PolarHBondContact O-N 3.37Å; L2326-L2329 PolarHBondContact O-N 3.39Å; L2326-E2330 PolarHBondContact O-N 3.3Å |
| 2327 | Y | 65.7 | Low | 60.8 | Low | 176 Ų | 176 | 55.7 Ų | 55.7 | 69% | 0.69 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -62.7 | -38.3 | 175.5 | -117.3 | -84.7 | 0 | 0 | 0 | 112.9 | P2323 A2324 E2330 A2331 | P2323-Y2327 PolarHBondContact O-N 2.85Å; A2324-Y2327 PolarHBondContact O-N 2.86Å; Y2327-E2330 PolarHBondContact O-N 3.26Å; Y2327-A2331 WeakPolarHBondContact O-CB 3.16Å; Y2327-A2331 PolarHBondContact O-N 3.38Å |
| 2328 | A | 65.4 | Low | 59.9 | Low | 45 Ų | 45 | 59.4 Ų | 59.4 | 37% | 0.372 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -68.1 | -36.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | A2324 Q2325 L2326 A2331 K2332 | A2324-A2328 VanDerWaalsContact O-CB 3.26Å; A2324-A2328 WeakPolarHBondContact O-CB 3.44Å; A2324-A2328 PolarHBondContact O-N 3.06Å; Q2325-A2328 PolarHBondContact O-N 3.38Å; L2326-A2328 VanDerWaalsContact C-N 3.35Å; L2326-A2328 PolarHBondContact O-N 3.37Å; A2328-A2331 PolarHBondContact O-N 3.28Å; A2328-K2332 VanDerWaalsContact O-CB 3.26Å; A2328-K2332 WeakPolarHBondContact O-CB 3.48Å; A2328-K2332 PolarHBondContact O-N 2.91Å |
| 2329 | L | 67.1 | Low | 58.7 | Low | 25 Ų | 25 | 63.1 Ų | 63.1 | 13% | 0.131 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -67.1 | -40.9 | 172.4 | -75 | 168 | 0 | 0 | 0 | 111.4 | V2251 L2259 L2321 Q2325 L2326 K2332 R2333 | V2251-L2329 HydrophobicContact CG2-CD1 4.25Å; L2259-L2329 HydrophobicContact CD2-CD1 4.16Å; L2321-L2329 HydrophobicContact CD1-CD1 4.06Å; L2321-L2329 HydrophobicContact CD2-CD1 4.19Å; Q2325-L2329 WeakPolarHBondContact O-CB 3.42Å; Q2325-L2329 VanDerWaalsContact O-CG 3.32Å; Q2325-L2329 WeakPolarHBondContact O-CG 3.43Å; Q2325-L2329 PolarHBondContact O-N 3.02Å; L2326-L2329 PolarHBondContact O-N 3.39Å; L2329-K2332 PolarHBondContact O-N 3.36Å; L2329-R2333 VanDerWaalsContact O-CB 3.28Å; L2329-R2333 WeakPolarHBondContact O-CB 3.46Å; L2329-R2333 VanDerWaalsContact O-CG 3.22Å; L2329-R2333 WeakPolarHBondContact O-CG 3.47Å; L2329-R2333 PolarHBondContact O-N 3.42Å |
| 2330 | E | 65.9 | Low | 57.5 | Low | 80 Ų | 80 | 66.3 Ų | 66.3 | 37% | 0.374 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -65 | -39.1 | 172.2 | -71 | -155.8 | 119.5 | 0 | 0 | 112.4 | P2260 L2326 Y2327 R2333 A2334 | P2260-E2330 HydrophobicContact CG-CG 4.4Å; L2326-E2330 PolarHBondContact O-N 3.3Å; Y2327-E2330 PolarHBondContact O-N 3.26Å; E2330-R2333 CarbonylContact O-C 3.52Å; E2330-R2333 PolarHBondContact O-N 3.08Å; E2330-A2334 WeakPolarHBondContact O-CB 3.49Å; E2330-A2334 PolarHBondContact O-N 3.27Å |
| 2331 | A | 59.2 | Low | 56 | Low | 43 Ų | 43 | 71.7 Ų | 71.7 | 36% | 0.355 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -65.3 | -45.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | I2031 Y2327 A2328 R2333 A2334 E2335 | I2031-A2331 HydrophobicContact CD1-CB 4.46Å; Y2327-A2331 WeakPolarHBondContact O-CB 3.16Å; Y2327-A2331 PolarHBondContact O-N 3.38Å; A2328-A2331 PolarHBondContact O-N 3.28Å; A2331-R2333 VanDerWaalsContact C-N 3.31Å; A2331-R2333 PolarHBondContact O-N 2.97Å; A2331-A2334 CarbonylContact O-C 3.58Å; A2331-A2334 WeakPolarHBondContact O-CA 3.28Å; A2331-A2334 WeakPolarHBondContact O-CB 3.17Å; A2331-A2334 PolarHBondContact O-N 3.44Å; A2331-E2335 PolarHBondContact O-N 3.15Å |
| 2332 | K | 62.9 | Low | 54.4 | Low | 67 Ų | 67 | 74.8 Ų | 74.8 | 29% | 0.291 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -57.9 | -43.9 | 173.2 | -169.8 | -176.5 | 179 | -168.2 | 0 | 110.3 | I2031 D2248 A2328 L2329 A2334 I2336 | I2031-K2332 HydrophobicContact CD1-CB 4.1Å; D2248-K2332 IonicContact OD2-NZ 3.78Å; D2248-K2332 PolarHBondContact OD2-NZ 3.5Å; A2328-K2332 VanDerWaalsContact O-CB 3.26Å; A2328-K2332 WeakPolarHBondContact O-CB 3.48Å; A2328-K2332 PolarHBondContact O-N 2.91Å; L2329-K2332 PolarHBondContact O-N 3.36Å; K2332-A2334 VanDerWaalsContact C-N 3.29Å; K2332-A2334 PolarHBondContact O-N 3.46Å; K2332-I2336 WeakPolarHBondContact O-CD1 3.44Å; K2332-I2336 WeakPolarHBondContact O-CG1 3.47Å |
| 2333 | R | 64.1 | Low | 52.8 | Low | 24 Ų | 24 | 81.6 Ų | 81.6 | 9% | 0.091 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -66.2 | -25.9 | 173.2 | -75 | 172.7 | 172.1 | -162.3 | -4 | 113.1 | D2229 E2263 L2329 E2330 A2331 N2337 Y2457 | D2229-R2333 IonicContact OD1-CZ 3.24Å; D2229-R2333 IonicContact OD1-NE 2.72Å; D2229-R2333 PolarHBondContact OD1-NE 3.41Å; D2229-R2333 IonicContact OD1-NH2 3.03Å; D2229-R2333 PolarHBondContact OD1-NH2 3.49Å; E2263-R2333 IonicContact OE1-CZ 2.7Å; E2263-R2333 IonicContact OE1-NH2 3.63Å; E2263-R2333 PolarHBondContact OE1-NH2 2.96Å; L2329-R2333 VanDerWaalsContact O-CB 3.28Å; L2329-R2333 WeakPolarHBondContact O-CB 3.46Å; L2329-R2333 VanDerWaalsContact O-CG 3.22Å; L2329-R2333 WeakPolarHBondContact O-CG 3.47Å; L2329-R2333 PolarHBondContact O-N 3.42Å; E2330-R2333 CarbonylContact O-C 3.52Å; E2330-R2333 PolarHBondContact O-N 3.08Å; A2331-R2333 VanDerWaalsContact C-N 3.31Å; A2331-R2333 PolarHBondContact O-N 2.97Å; R2333-N2337 PolarHBondContact O-ND2 3.26Å; R2333-Y2457 HydrophobicContact CB-CE1 3.81Å; R2333-Y2457 HydrophobicContact CG-CD1 4.47Å; R2333-Y2457 HydrophobicContact CG-CE1 3.95Å; R2333-Y2457 PolarHBondContact O-OH 2.82Å |
| 2334 | A | 52.9 | Low | 51 | Low | 49 Ų | 49 | 80 Ų | 80 | 41% | 0.405 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -82.9 | -42.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | E2330 A2331 K2332 I2336 N2337 | E2330-A2334 WeakPolarHBondContact O-CB 3.49Å; E2330-A2334 PolarHBondContact O-N 3.27Å; A2331-A2334 CarbonylContact O-C 3.58Å; A2331-A2334 WeakPolarHBondContact O-CA 3.28Å; A2331-A2334 WeakPolarHBondContact O-CB 3.17Å; A2331-A2334 PolarHBondContact O-N 3.44Å; K2332-A2334 VanDerWaalsContact C-N 3.29Å; K2332-A2334 PolarHBondContact O-N 3.46Å; A2334-I2336 VanDerWaalsContact C-N 3.26Å; A2334-I2336 PolarHBondContact O-N 3.38Å; A2334-N2337 WeakPolarHBondContact O-CB 3.39Å; A2334-N2337 PolarHBondContact O-N 3Å; A2334-N2337 PolarHBondContact O-ND2 3.42Å |
| 2335 | E | 49.7 | Very low | 49.3 | Very low | 80 Ų | 80 | 81.7 Ų | 81.7 | 37% | 0.374 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -62 | -30.2 | 179.5 | -73.9 | -165.5 | 130.7 | 0 | 0 | 113.1 | A2331 N2337 T2338 L2339 | A2331-E2335 PolarHBondContact O-N 3.15Å; E2335-N2337 PolarHBondContact O-N 3.21Å; E2335-T2338 PolarHBondContact O-N 3.25Å; E2335-T2338 PolarHBondContact O-OG1 3.44Å; E2335-L2339 PolarHBondContact O-N 3.12Å |
| 2336 | I | 51.4 | Low | 47.3 | Very low | 66 Ų | 66 | 83.7 Ų | 83.7 | 34% | 0.338 | 46% | 0.459 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -3.7 | 171.8 | -63.1 | 166.2 | 0 | 0 | 0 | 112.3 | K2161 K2332 A2334 | K2161-I2336 PolarHBondContact NZ-O 3.03Å; K2332-I2336 WeakPolarHBondContact O-CD1 3.44Å; K2332-I2336 WeakPolarHBondContact O-CG1 3.47Å; A2334-I2336 VanDerWaalsContact C-N 3.26Å; A2334-I2336 PolarHBondContact O-N 3.38Å |
| 2337 | N | 43 | Very low | 45.3 | Very low | 40 Ų | 40 | 90 Ų | 90 | 21% | 0.214 | 49% | 0.487 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -111.2 | -2 | 172.7 | -47.8 | -69.6 | 0 | 0 | 0 | 113.9 | K2161 R2333 A2334 E2335 | K2161-N2337 WeakPolarHBondContact CE-OD1 3.23Å; K2161-N2337 PolarHBondContact NZ-OD1 2.97Å; R2333-N2337 PolarHBondContact O-ND2 3.26Å; A2334-N2337 WeakPolarHBondContact O-CB 3.39Å; A2334-N2337 PolarHBondContact O-N 3Å; A2334-N2337 PolarHBondContact O-ND2 3.42Å; E2335-N2337 PolarHBondContact O-N 3.21Å |
| 2338 | T | 37.9 | Very low | 43.4 | Very low | 86 Ų | 86 | 91.5 Ų | 91.5 | 53% | 0.528 | 50% | 0.497 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.5 | -35.9 | 177.8 | 58.7 | 0 | 0 | 0 | 0 | 112.4 | E2335 D2340 K2341 | E2335-T2338 PolarHBondContact O-N 3.25Å; E2335-T2338 PolarHBondContact O-OG1 3.44Å; T2338-D2340 PolarHBondContact O-N 3.46Å; T2338-K2341 PolarHBondContact O-N 3.4Å |
| 2339 | L | 36.8 | Very low | 41.5 | Very low | 123 Ų | 123 | 98.2 Ų | 98.2 | 64% | 0.644 | 52% | 0.519 | S | S | * | . | G | 310 helix | trans | -60.2 | -41.3 | 177.5 | -81.4 | 157.6 | 0 | 0 | 0 | 113 | E2335 K2341 S2342 | E2335-L2339 PolarHBondContact O-N 3.12Å; L2339-K2341 PolarHBondContact O-N 3.14Å; L2339-K2341 VanDerWaalsContact O-N 3.15Å; L2339-S2342 WeakPolarHBondContact O-CB 3.37Å; L2339-S2342 PolarHBondContact O-N 3.43Å; L2339-S2342 PolarHBondContact O-OG 3.48Å |
| 2340 | D | 37.4 | Very low | 39.5 | Very low | 77 Ų | 77 | 102.9 Ų | 102.9 | 41% | 0.412 | 54% | 0.544 | S | S | . | . | G | 310 helix | trans | -55.9 | -30 | 177.2 | -66.1 | -17.1 | 0 | 0 | 0 | 112.8 | K2161 T2338 S2342 | K2161-D2340 IonicContact NZ-OD2 2.73Å; K2161-D2340 PolarHBondContact NZ-OD2 3.34Å; T2338-D2340 PolarHBondContact O-N 3.46Å; D2340-S2342 PolarHBondContact O-N 3.04Å |
| 2341 | K | 32.8 | Very low | 37.6 | Very low | 171 Ų | 171 | 105 Ų | 105 | 74% | 0.743 | 56% | 0.558 | S | S | * | * | G | 310 helix | trans | -76.7 | -0.5 | -176.5 | -67.1 | -175.8 | 175.6 | -179.3 | 0 | 114.5 | T2338 L2339 | T2338-K2341 PolarHBondContact O-N 3.4Å; L2339-K2341 PolarHBondContact O-N 3.14Å; L2339-K2341 VanDerWaalsContact O-N 3.15Å |
| 2342 | S | 30.5 | Very low | 36 | Very low | 88 Ų | 88 | 109.8 Ų | 109.8 | 62% | 0.615 | 57% | 0.572 | S | S | * | * | G | 310 helix | trans | -89.2 | -4 | -170.7 | 63.9 | 0 | 0 | 0 | 0 | 115.8 | L2339 D2340 | L2339-S2342 WeakPolarHBondContact O-CB 3.37Å; L2339-S2342 PolarHBondContact O-N 3.43Å; L2339-S2342 PolarHBondContact O-OG 3.48Å; D2340-S2342 PolarHBondContact O-N 3.04Å |
| 2343 | K | 29.3 | Very low | 34.4 | Very low | 185 Ų | 185 | 118.2 Ų | 118.2 | 80% | 0.804 | 60% | 0.604 | S | S | * | * | S | Bend | trans | -131.3 | 2 | -167.6 | -76.4 | 179.3 | -179.6 | 169.1 | 0 | 117.4 | ||
| 2344 | S | 24 | Very low | 32.4 | Very low | 73 Ų | 73 | 126.3 Ų | 126.3 | 51% | 0.51 | 63% | 0.634 | S | S | . | * | S | Bend | trans | -130.2 | 145.6 | 178.5 | 51.6 | 0 | 0 | 0 | 0 | 113.3 | ||
| 2345 | S | 25 | Very low | 31 | Very low | 108 Ų | 108 | 130.8 Ų | 130.8 | 76% | 0.755 | 65% | 0.652 | S | S | * | * | trans | 56.7 | 81.7 | -179 | 56 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 2346 | S | 23 | Very low | 29.8 | Very low | 112 Ų | 112 | 132.5 Ų | 132.5 | 78% | 0.783 | 67% | 0.668 | S | S | * | * | trans | -76.4 | 148.4 | 131.3 | 47.2 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 2347 | H | 27 | Very low | 28.5 | Very low | 172 Ų | 172 | 135.4 Ų | 135.4 | 80% | 0.796 | 68% | 0.684 | S | S | * | * | trans | 57.3 | 93.8 | -165.1 | -55.7 | -67.2 | 0 | 0 | 0 | 112.7 | ||||
| 2348 | F | 26.8 | Very low | 27.6 | Very low | 207 Ų | 207 | 142.4 Ų | 142.4 | 91% | 0.908 | 71% | 0.713 | S | S | * | * | -141 | 151.5 | 67.3 | -100.8 | -94.7 | 0 | 0 | 0 | 112.2 | |||||
| 2349 | F | 25 | Very low | 26.9 | Very low | 187 Ų | 187 | 147.4 Ų | 147.4 | 82% | 0.82 | 73% | 0.73 | S | S | * | * | trans | -115.3 | 147.2 | -172.5 | -125.1 | -92.7 | 0 | 0 | 0 | 112.3 | ||||
| 2350 | N | 23.9 | Very low | 26.3 | Very low | 122 Ų | 122 | 148.6 Ų | 148.6 | 65% | 0.652 | 74% | 0.737 | S | S | * | * | trans | 6 | 128.9 | 166.2 | -59.4 | -8.4 | 0 | 0 | 0 | 120 | ||||
| 2351 | D | 26.5 | Very low | 25.6 | Very low | 125 Ų | 125 | 155 Ų | 155 | 67% | 0.668 | 76% | 0.762 | S | S | * | * | 179.6 | 157.1 | 102 | -92.9 | -31.8 | 0 | 0 | 0 | 110.3 | |||||
| 2352 | H | 26.8 | Very low | 25.4 | Very low | 143 Ų | 143 | 155.7 Ų | 155.7 | 66% | 0.662 | 77% | 0.765 | S | S | * | * | S | Bend | cis | -138.7 | 140.9 | -5.1 | -93.8 | -30.7 | 0 | 0 | 0 | 109.1 | ||
| 2353 | Y | 27.5 | Very low | 25.2 | Very low | 245 Ų | 245 | 159 Ų | 159 | 96% | 0.961 | 77% | 0.772 | S | S | * | * | -158 | 128.1 | 119.7 | -116.8 | -76.8 | 0 | 0 | 0 | 108.5 | |||||
| 2354 | R | 23.4 | Very low | 24.8 | Very low | 193 Ų | 193 | 156.4 Ų | 156.4 | 73% | 0.728 | 77% | 0.767 | S | S | * | * | trans | -147.1 | 162.5 | -166.3 | -150.6 | -178.7 | -167.5 | 175.8 | 3.3 | 109.6 | ||||
| 2355 | N | 24.1 | Very low | 25 | Very low | 144 Ų | 144 | 158.8 Ų | 158.8 | 77% | 0.77 | 78% | 0.779 | S | S | * | * | trans | 73.2 | 143.6 | 179.2 | -44.5 | -25.4 | 0 | 0 | 0 | 112.2 | ||||
| 2356 | T | 23.2 | Very low | 24.8 | Very low | 116 Ų | 116 | 161.9 Ų | 161.9 | 71% | 0.712 | 79% | 0.786 | S | S | * | * | cis | -145.5 | 161 | 6.1 | 38.7 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 2357 | N | 23.9 | Very low | 25.4 | Very low | 127 Ų | 127 | 165 Ų | 165 | 68% | 0.679 | 79% | 0.788 | S | S | * | * | cis | -155.1 | 136.1 | -7.7 | -102.3 | -18.9 | 0 | 0 | 0 | 106.9 | ||||
| 2358 | K | 24.6 | Very low | 25.3 | Very low | 187 Ų | 187 | 162.8 Ų | 162.8 | 81% | 0.813 | 79% | 0.789 | S | S | * | * | 40.6 | 114 | 107.6 | -66 | -176.4 | 175.7 | -178 | 0 | 116.4 | |||||
| 2359 | E | 23.4 | Very low | 25.1 | Very low | 190 Ų | 190 | 160.4 Ų | 160.4 | 89% | 0.888 | 79% | 0.786 | S | S | * | * | -160.8 | 178.4 | 93.8 | -109.6 | 177.4 | -160.1 | 0 | 0 | 112.3 | |||||
| 2360 | N | 25 | Very low | 25.2 | Very low | 149 Ų | 149 | 159.5 Ų | 159.5 | 80% | 0.797 | 78% | 0.784 | S | S | * | * | trans | -96.6 | 159.1 | -168.7 | -52 | -67.9 | 0 | 0 | 0 | 112.5 | ||||
| 2361 | F | 22.4 | Very low | 25.2 | Very low | 212 Ų | 212 | 160.4 Ų | 160.4 | 93% | 0.93 | 79% | 0.789 | S | S | * | * | -165.7 | 177.9 | 111 | -118.5 | -85 | 0 | 0 | 0 | 112.1 | |||||
| 2362 | K | 28 | Very low | 25.2 | Very low | 185 Ų | 185 | 159.7 Ų | 159.7 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | trans | -132.3 | 159.8 | -175.7 | -146 | -177.2 | -170.9 | -175.2 | 0 | 109.4 | ||||
| 2363 | M | 26.1 | Very low | 25 | Very low | 156 Ų | 156 | 159.5 Ų | 159.5 | 77% | 0.768 | 80% | 0.797 | S | S | * | * | trans | 85.6 | 155.2 | 166.9 | -65.4 | -67.8 | -72.2 | 0 | 0 | 119.8 | ||||
| 2364 | N | 21.7 | Very low | 25 | Very low | 132 Ų | 132 | 155 Ų | 155 | 71% | 0.706 | 79% | 0.788 | S | S | * | * | trans | 80.3 | 106.9 | 173.7 | -52.6 | -14.7 | 0 | 0 | 0 | 115.1 | ||||
| 2365 | T | 27.2 | Very low | 25.1 | Very low | 123 Ų | 123 | 155.1 Ų | 155.1 | 76% | 0.755 | 79% | 0.794 | S | S | * | * | 57.9 | 86.7 | 65.7 | 72.3 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 2366 | L | 21.1 | Very low | 25.1 | Very low | 173 Ų | 173 | 154 Ų | 154 | 91% | 0.906 | 80% | 0.795 | S | S | * | * | trans | -163.5 | 140.2 | 153.7 | -106.3 | 161.7 | 0 | 0 | 0 | 108.9 | ||||
| 2367 | Q | 36.6 | Very low | 25 | Very low | 176 Ų | 176 | 153.4 Ų | 153.4 | 82% | 0.822 | 80% | 0.795 | S | S | * | * | trans | -81.4 | 149.8 | 166.9 | -66.6 | 171 | -42.8 | 0 | 0 | 109.6 | ||||
| 2368 | P | 24.6 | Very low | 25 | Very low | 126 Ų | 126 | 153.8 Ų | 153.8 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | trans | -119.5 | 145.8 | 153.7 | 27.9 | -12.7 | 0 | 0 | 0 | 112.6 | ||||
| 2369 | N | 21 | Very low | 24.9 | Very low | 157 Ų | 157 | 152.1 Ų | 152.1 | 84% | 0.84 | 79% | 0.792 | S | S | * | * | trans | -77.5 | 175.5 | -172.3 | -64.7 | -25.7 | 0 | 0 | 0 | 114.3 | ||||
| 2370 | E | 28.4 | Very low | 24.8 | Very low | 168 Ų | 168 | 150.9 Ų | 150.9 | 79% | 0.785 | 79% | 0.787 | S | S | * | * | trans | -56.5 | 162.8 | 166 | -51.8 | 170.3 | 135.1 | 0 | 0 | 114.3 | ||||
| 2371 | N | 24.6 | Very low | 24.7 | Very low | 141 Ų | 141 | 151.4 Ų | 151.4 | 75% | 0.754 | 79% | 0.788 | S | S | * | * | trans | 86.3 | 129.5 | 156.8 | -58.9 | -53.6 | 0 | 0 | 0 | 121.2 | ||||
| 2372 | S | 25.4 | Very low | 24.9 | Very low | 110 Ų | 110 | 152 Ų | 152 | 77% | 0.769 | 79% | 0.786 | S | S | * | * | trans | 90.2 | 156.1 | 152.5 | 79.9 | 0 | 0 | 0 | 0 | 121 | ||||
| 2373 | L | 23.3 | Very low | 24.5 | Very low | 140 Ų | 140 | 150.9 Ų | 150.9 | 73% | 0.733 | 79% | 0.789 | S | S | * | * | trans | 75.2 | 109.4 | 177.9 | -51.2 | 174.7 | 0 | 0 | 0 | 114.9 | ||||
| 2374 | I | 27.5 | Very low | 24.4 | Very low | 150 Ų | 150 | 149.3 Ų | 149.3 | 77% | 0.769 | 79% | 0.788 | S | S | * | * | 68.1 | 116.9 | 53.7 | -53.8 | 172.7 | 0 | 0 | 0 | 112.8 | |||||
| 2375 | F | 24 | Very low | 24.5 | Very low | 196 Ų | 196 | 150.6 Ų | 150.6 | 86% | 0.86 | 80% | 0.795 | S | S | * | * | trans | -127.8 | 158.8 | 166.4 | -89.4 | -93.7 | 0 | 0 | 0 | 110.8 | ||||
| 2376 | P | 24.6 | Very low | 24.5 | Very low | 120 Ų | 120 | 150.9 Ų | 150.9 | 78% | 0.779 | 79% | 0.79 | S | S | * | * | trans | -95.4 | 167.7 | -152.4 | -4.7 | 24.6 | 0 | 0 | 0 | 116.2 | ||||
| 2377 | S | 22.4 | Very low | 24.7 | Very low | 104 Ų | 104 | 150.7 Ų | 150.7 | 73% | 0.727 | 79% | 0.788 | S | S | * | * | trans | -74.1 | 129.4 | 178.1 | 55.1 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 2378 | N | 23.9 | Very low | 24.3 | Very low | 135 Ų | 135 | 146.4 Ų | 146.4 | 72% | 0.722 | 78% | 0.777 | S | S | * | * | trans | -163.2 | 115.3 | 131.3 | -92.3 | -26.5 | 0 | 0 | 0 | 107.9 | ||||
| 2379 | Q | 22.2 | Very low | 24.5 | Very low | 151 Ų | 151 | 148.8 Ų | 148.8 | 71% | 0.706 | 78% | 0.777 | S | S | * | * | 64.6 | 119.5 | 84.8 | -70.3 | -166.9 | 37.7 | 0 | 0 | 112.4 | |||||
| 2380 | Q | 21.9 | Very low | 25.1 | Very low | 165 Ų | 165 | 148.8 Ų | 148.8 | 77% | 0.771 | 78% | 0.777 | S | S | * | * | cis | -150.3 | -178.8 | 5 | -95.6 | 167.6 | 19.3 | 0 | 0 | 110.2 | ||||
| 2381 | L | 22.5 | Very low | 25.6 | Very low | 159 Ų | 159 | 144 Ų | 144 | 83% | 0.832 | 76% | 0.755 | S | S | * | * | trans | 75.6 | 65.6 | 172.5 | -61.2 | 168.7 | 0 | 0 | 0 | 118.2 | ||||
| 2382 | Y | 25.2 | Very low | 26.9 | Very low | 225 Ų | 225 | 140.8 Ų | 140.8 | 88% | 0.882 | 74% | 0.742 | S | S | * | * | trans | -155 | 85.7 | 138.8 | -105 | -69.4 | 0 | 0 | 0 | 110.4 | T2384 | Y2382-T2384 PolarHBondContact O-N 2.91Š| ||
| 2383 | N | 20.7 | Very low | 28.4 | Very low | 162 Ų | 162 | 139.8 Ų | 139.8 | 87% | 0.866 | 73% | 0.731 | S | S | * | * | trans | -90.8 | 88.1 | 178.9 | -90.3 | 9 | 0 | 0 | 0 | 111.8 | ||||
| 2384 | T | 24.5 | Very low | 30.1 | Very low | 122 Ų | 122 | 137.4 Ų | 137.4 | 75% | 0.748 | 72% | 0.719 | S | S | * | * | trans | -142.7 | 119.6 | 153.8 | 36 | 0 | 0 | 0 | 0 | 109.6 | Y2382 M2386 | Y2382-T2384 PolarHBondContact O-N 2.91Å; T2384-M2386 PolarHBondContact O-N 3.48Å | ||
| 2385 | N | 23.6 | Very low | 31.9 | Very low | 159 Ų | 159 | 134.4 Ų | 134.4 | 85% | 0.85 | 70% | 0.702 | S | S | * | * | trans | -70 | 99 | -170.8 | -59 | -17.7 | 0 | 0 | 0 | 112.5 | ||||
| 2386 | M | 26.3 | Very low | 34 | Very low | 130 Ų | 130 | 127.9 Ų | 127.9 | 64% | 0.64 | 68% | 0.675 | S | S | * | * | trans | -147.8 | 146.1 | 156.5 | -78.2 | -57.7 | 174 | 0 | 0 | 109.5 | T2384 | T2384-M2386 PolarHBondContact O-N 3.48Š| ||
| 2387 | I | 25.8 | Very low | 36.1 | Very low | 169 Ų | 169 | 122.2 Ų | 122.2 | 87% | 0.867 | 64% | 0.638 | S | S | * | * | trans | 93.4 | 73.8 | -167.5 | -52.5 | 161.3 | 0 | 0 | 0 | 112.2 | ||||
| 2388 | S | 27.6 | Very low | 38.5 | Very low | 86 Ų | 86 | 122.4 Ų | 122.4 | 60% | 0.601 | 63% | 0.628 | S | S | * | * | trans | -104.2 | 128.1 | 147.2 | 52.8 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 2389 | E | 28.8 | Very low | 40.9 | Very low | 176 Ų | 176 | 121.3 Ų | 121.3 | 82% | 0.822 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.9 | 138.2 | 179.7 | -61.4 | 178.2 | 142.7 | 0 | 0 | 110.6 | ||
| 2390 | N | 34.9 | Very low | 43.4 | Very low | 157 Ų | 157 | 115.2 Ų | 115.2 | 84% | 0.84 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 72.8 | 47.5 | -178.6 | -45.1 | -62.1 | 0 | 0 | 0 | 117.4 | ||
| 2391 | E | 37.1 | Very low | 46.1 | Very low | 66 Ų | 66 | 108.2 Ų | 108.2 | 31% | 0.308 | 56% | 0.555 | S | S | . | * | trans | -64.1 | 130.6 | 145.9 | -75.5 | -169.6 | 152.2 | 0 | 0 | 109.1 | V2393 R2399 | E2391-V2393 PolarHBondContact O-N 3.28Å; E2391-R2399 VanDerWaalsContact CD-NH1 3.29Å; E2391-R2399 IonicContact OE1-CZ 2.58Å; E2391-R2399 IonicContact OE1-NH1 2.87Å; E2391-R2399 PolarHBondContact OE1-NH1 3.45Å; E2391-R2399 VanDerWaalsContact OE1-NH1 3.09Å; E2391-R2399 IonicContact OE1-NH2 3.38Å; E2391-R2399 PolarHBondContact OE1-NH2 2.73Å; E2391-R2399 IonicContact OE2-CZ 2.86Å; E2391-R2399 IonicContact OE2-NH1 2.84Å; E2391-R2399 PolarHBondContact OE2-NH1 3.09Å; E2391-R2399 IonicContact OE2-NH2 2.84Å | ||
| 2392 | P | 53.8 | Low | 48.8 | Very low | 74 Ų | 74 | 106 Ų | 106 | 48% | 0.481 | 54% | 0.543 | S | S | . | . | trans | -65.3 | 136 | 176.2 | 27 | -34.1 | 0 | 0 | 0 | 110.1 | N2394 Q2395 | P2392-N2394 PolarHBondContact O-N 3.34Å; P2392-Q2395 HydrophobicContact CG-CG 4.06Å; P2392-Q2395 PolarHBondContact O-N 3.4Å | ||
| 2393 | V | 56.9 | Low | 51.5 | Low | 89 Ų | 89 | 96.9 Ų | 96.9 | 54% | 0.539 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -45.7 | -38.7 | -171.8 | -179.5 | 0 | 0 | 0 | 0 | 113.4 | E2391 Q2395 L2396 A2397 | E2391-V2393 PolarHBondContact O-N 3.28Å; V2393-Q2395 VanDerWaalsContact C-N 3.28Å; V2393-Q2395 PolarHBondContact O-N 3.44Å; V2393-L2396 PolarHBondContact O-N 3.17Å; V2393-A2397 PolarHBondContact O-N 3.07Å; V2393-A2397 VanDerWaalsContact O-N 3.16Å |
| 2394 | N | 58.3 | Low | 54.5 | Low | 90 Ų | 90 | 89.4 Ų | 89.4 | 48% | 0.481 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -58.5 | -32.6 | 179.3 | -56.6 | 10 | 0 | 0 | 0 | 113.3 | L2312 P2392 A2397 E2398 | L2312-N2394 WeakPolarHBondContact CD2-O 3.48Å; P2392-N2394 PolarHBondContact O-N 3.34Å; N2394-A2397 WeakPolarHBondContact O-CB 3.43Å; N2394-E2398 WeakPolarHBondContact O-CG 3.47Å; N2394-E2398 PolarHBondContact O-N 3.16Å |
| 2395 | Q | 65.9 | Low | 57.4 | Low | 88 Ų | 88 | 87.8 Ų | 87.8 | 41% | 0.411 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -71.7 | -35.5 | 177.9 | -77.5 | -177.4 | -16 | 0 | 0 | 112.7 | P2392 V2393 E2398 R2399 | P2392-Q2395 HydrophobicContact CG-CG 4.06Å; P2392-Q2395 PolarHBondContact O-N 3.4Å; V2393-Q2395 VanDerWaalsContact C-N 3.28Å; V2393-Q2395 PolarHBondContact O-N 3.44Å; Q2395-E2398 PolarHBondContact O-N 3.04Å; Q2395-R2399 PolarHBondContact O-N 3.09Å |
| 2396 | L | 68.1 | Low | 60.3 | Low | 59 Ų | 59 | 80.8 Ų | 80.8 | 31% | 0.309 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -68.3 | -41.8 | 176.4 | -152.1 | 161.9 | 0 | 0 | 0 | 109.5 | W2319 V2393 R2399 V2400 | W2319-L2396 HydrophobicContact CB-CD2 4.31Å; V2393-L2396 PolarHBondContact O-N 3.17Å; L2396-R2399 PolarHBondContact O-N 2.89Å; L2396-V2400 HydrophobicContact CD2-CG2 4.36Å; L2396-V2400 WeakPolarHBondContact O-CG2 3.44Å; L2396-V2400 PolarHBondContact O-N 3.41Å |
| 2397 | A | 68.4 | Low | 63.2 | Low | 0 Ų | 0 | 75.4 Ų | 75.4 | 0% | 0 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -60.9 | -41 | 170.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | L2312 W2319 V2393 N2394 V2400 L2401 | L2312-A2397 HydrophobicContact CD2-CB 3.49Å; L2312-A2397 VanDerWaalsContact CD2-CB 3.49Å; L2312-A2397 HydrophobicContact CG-CB 4Å; W2319-A2397 HydrophobicContact CD2-CB 3.79Å; W2319-A2397 HydrophobicContact CG-CB 4.05Å; W2319-A2397 HydrophobicContact CH2-CB 4.34Å; W2319-A2397 HydrophobicContact CZ2-CB 3.53Å; V2393-A2397 PolarHBondContact O-N 3.07Å; V2393-A2397 VanDerWaalsContact O-N 3.16Å; N2394-A2397 WeakPolarHBondContact O-CB 3.43Å; A2397-V2400 PolarHBondContact O-N 3.47Å; A2397-L2401 WeakPolarHBondContact O-CB 3.36Å; A2397-L2401 PolarHBondContact O-N 2.81Å |
| 2398 | E | 71.5 | Confident | 66.1 | Low | 109 Ų | 109 | 67.6 Ų | 67.6 | 51% | 0.509 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -64.1 | -43.9 | 174.4 | -81.7 | -169.3 | 137.2 | 0 | 0 | 111.6 | L2312 N2394 Q2395 V2400 L2401 L2402 | L2312-E2398 HydrophobicContact CD2-CG 3.73Å; N2394-E2398 WeakPolarHBondContact O-CG 3.47Å; N2394-E2398 PolarHBondContact O-N 3.16Å; Q2395-E2398 PolarHBondContact O-N 3.04Å; E2398-V2400 VanDerWaalsContact C-N 3.33Å; E2398-V2400 PolarHBondContact O-N 3.36Å; E2398-L2401 PolarHBondContact O-N 3.05Å; E2398-L2402 VanDerWaalsContact O-CB 3.31Å; E2398-L2402 WeakPolarHBondContact O-CB 3.48Å; E2398-L2402 VanDerWaalsContact O-CG 3.26Å; E2398-L2402 WeakPolarHBondContact O-CG 3.35Å; E2398-L2402 PolarHBondContact O-N 3.13Å |
| 2399 | R | 75.1 | Confident | 68.6 | Low | 111 Ų | 111 | 67.6 Ų | 67.6 | 42% | 0.419 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -58.2 | -44.9 | 174.2 | -76.8 | -163.2 | -171.4 | 112.9 | 7.6 | 111.9 | E2391 Q2395 L2396 G2403 | E2391-R2399 VanDerWaalsContact CD-NH1 3.29Å; E2391-R2399 IonicContact OE1-CZ 2.58Å; E2391-R2399 IonicContact OE1-NH1 2.87Å; E2391-R2399 PolarHBondContact OE1-NH1 3.45Å; E2391-R2399 VanDerWaalsContact OE1-NH1 3.09Å; E2391-R2399 IonicContact OE1-NH2 3.38Å; E2391-R2399 PolarHBondContact OE1-NH2 2.73Å; E2391-R2399 IonicContact OE2-CZ 2.86Å; E2391-R2399 IonicContact OE2-NH1 2.84Å; E2391-R2399 PolarHBondContact OE2-NH1 3.09Å; E2391-R2399 IonicContact OE2-NH2 2.84Å; Q2395-R2399 PolarHBondContact O-N 3.09Å; L2396-R2399 PolarHBondContact O-N 2.89Å; R2399-G2403 PolarHBondContact O-N 3.31Å |
| 2400 | V | 75.5 | Confident | 71 | Confident | 24 Ų | 24 | 59.2 Ų | 59.2 | 15% | 0.145 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -59.7 | -48.9 | 176.8 | 165.4 | 0 | 0 | 0 | 0 | 110.8 | F2253 W2319 L2396 A2397 E2398 L2402 G2403 V2404 | F2253-V2400 HydrophobicContact CB-CG1 3.58Å; F2253-V2400 HydrophobicContact CB-CG2 4.23Å; F2253-V2400 HydrophobicContact CD1-CG1 3.28Å; F2253-V2400 HydrophobicContact CE1-CG1 4.16Å; F2253-V2400 HydrophobicContact CG-CG1 3.57Å; W2319-V2400 HydrophobicContact CE3-CB 4.41Å; W2319-V2400 HydrophobicContact CE3-CG1 4.29Å; W2319-V2400 HydrophobicContact CE3-CG2 4.34Å; W2319-V2400 HydrophobicContact CH2-CG1 4.29Å; W2319-V2400 HydrophobicContact CZ3-CB 4.09Å; W2319-V2400 HydrophobicContact CZ3-CG1 3.61Å; W2319-V2400 HydrophobicContact CZ3-CG2 4.45Å; L2396-V2400 HydrophobicContact CD2-CG2 4.36Å; L2396-V2400 WeakPolarHBondContact O-CG2 3.44Å; L2396-V2400 PolarHBondContact O-N 3.41Å; A2397-V2400 PolarHBondContact O-N 3.47Å; E2398-V2400 VanDerWaalsContact C-N 3.33Å; E2398-V2400 PolarHBondContact O-N 3.36Å; V2400-L2402 PolarHBondContact O-N 2.72Å; V2400-G2403 CarbonylContact O-C 3.54Å; V2400-G2403 WeakPolarHBondContact O-CA 3.49Å; V2400-G2403 PolarHBondContact O-N 3.37Å; V2400-V2404 PolarHBondContact O-N 3.04Å |
| 2401 | L | 78.2 | Confident | 72.9 | Confident | 18 Ų | 18 | 54.8 Ų | 54.8 | 9% | 0.094 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -70.7 | -33.6 | -176 | -160.6 | 145 | 0 | 0 | 0 | 112.4 | L2305 L2308 Q2309 L2312 A2397 E2398 G2403 V2404 K2405 | L2305-L2401 HydrophobicContact CD2-CD2 3.88Å; L2305-L2401 HydrophobicContact CD2-CG 4.33Å; L2308-L2401 VanDerWaalsContact C-CD1 3.46Å; L2308-L2401 HydrophobicContact CB-CD1 3.8Å; L2308-L2401 HydrophobicContact CB-CG 4.45Å; Q2309-L2401 HydrophobicContact CB-CD1 4.28Å; Q2309-L2401 HydrophobicContact CG-CD1 3.86Å; Q2309-L2401 HydrophobicContact CG-CD2 4.26Å; L2312-L2401 HydrophobicContact CD1-CD1 3.97Å; A2397-L2401 WeakPolarHBondContact O-CB 3.36Å; A2397-L2401 PolarHBondContact O-N 2.81Å; E2398-L2401 PolarHBondContact O-N 3.05Å; L2401-G2403 VanDerWaalsContact C-N 3.33Å; L2401-V2404 PolarHBondContact O-N 3.43Å; L2401-K2405 WeakPolarHBondContact O-CB 3.39Å; L2401-K2405 PolarHBondContact O-N 2.96Å |
| 2402 | L | 78.5 | Confident | 74.2 | Confident | 113 Ų | 113 | 52.9 Ų | 52.9 | 59% | 0.592 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -63.7 | -37.6 | 167.1 | -73.3 | 169.2 | 0 | 0 | 0 | 111.8 | E2398 V2400 K2405 G2406 | E2398-L2402 VanDerWaalsContact O-CB 3.31Å; E2398-L2402 WeakPolarHBondContact O-CB 3.48Å; E2398-L2402 VanDerWaalsContact O-CG 3.26Å; E2398-L2402 WeakPolarHBondContact O-CG 3.35Å; E2398-L2402 PolarHBondContact O-N 3.13Å; V2400-L2402 PolarHBondContact O-N 2.72Å; L2402-K2405 PolarHBondContact O-N 2.84Å; L2402-G2406 PolarHBondContact O-N 2.81Å |
| 2403 | G | 81.6 | Confident | 74.1 | Confident | 33 Ų | 33 | 54 Ų | 54 | 34% | 0.34 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -60 | -52.4 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | R2399 V2400 L2401 K2405 G2406 K2407 | R2399-G2403 PolarHBondContact O-N 3.31Å; V2400-G2403 CarbonylContact O-C 3.54Å; V2400-G2403 WeakPolarHBondContact O-CA 3.49Å; V2400-G2403 PolarHBondContact O-N 3.37Å; L2401-G2403 VanDerWaalsContact C-N 3.33Å; G2403-K2405 VanDerWaalsContact C-N 3.31Å; G2403-K2405 PolarHBondContact O-N 3.04Å; G2403-G2406 PolarHBondContact O-N 3.27Å; G2403-G2406 VanDerWaalsContact O-N 3.14Å; G2403-K2407 WeakPolarHBondContact O-CG 3.45Å; G2403-K2407 PolarHBondContact O-N 3.1Å |
| 2404 | V | 84.8 | Confident | 73.6 | Confident | 4 Ų | 4 | 52.1 Ų | 52.1 | 2% | 0.024 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -60 | -41.4 | 175.6 | -178.1 | 0 | 0 | 0 | 0 | 111.1 | F2253 L2308 V2400 L2401 G2406 K2407 L2408 | F2253-V2404 HydrophobicContact CD1-CG2 4.32Å; F2253-V2404 HydrophobicContact CE1-CG2 4.47Å; L2308-V2404 HydrophobicContact CD1-CB 4.28Å; L2308-V2404 HydrophobicContact CD1-CG1 3.79Å; L2308-V2404 HydrophobicContact CD1-CG2 4.22Å; V2400-V2404 PolarHBondContact O-N 3.04Å; L2401-V2404 PolarHBondContact O-N 3.43Å; V2404-G2406 PolarHBondContact O-N 3.49Å; V2404-K2407 PolarHBondContact O-N 3.29Å; V2404-L2408 HydrophobicContact CG1-CD1 4Å; V2404-L2408 HydrophobicContact CG1-CG 4.39Å; V2404-L2408 WeakPolarHBondContact O-CB 3.48Å; V2404-L2408 WeakPolarHBondContact O-CG 3.29Å; V2404-L2408 PolarHBondContact O-N 3.18Å |
| 2405 | K | 84.9 | Confident | 72.8 | Confident | 88 Ų | 88 | 54.1 Ų | 54.1 | 38% | 0.383 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -60.9 | -41.9 | 174.5 | -173.4 | 177.3 | 179.6 | -178.4 | 0 | 112.2 | L2305 L2401 L2402 G2403 L2408 Q2409 | L2305-K2405 HydrophobicContact CD1-CB 4.43Å; L2305-K2405 HydrophobicContact CD1-CD 4.48Å; L2305-K2405 HydrophobicContact CD1-CG 4.13Å; L2305-K2405 HydrophobicContact CD2-CB 4Å; L2401-K2405 WeakPolarHBondContact O-CB 3.39Å; L2401-K2405 PolarHBondContact O-N 2.96Å; L2402-K2405 PolarHBondContact O-N 2.84Å; G2403-K2405 VanDerWaalsContact C-N 3.31Å; G2403-K2405 PolarHBondContact O-N 3.04Å; K2405-L2408 PolarHBondContact O-N 3.09Å; K2405-Q2409 WeakPolarHBondContact O-CB 3.38Å; K2405-Q2409 WeakPolarHBondContact O-CG 3.3Å; K2405-Q2409 PolarHBondContact O-N 3.34Å |
| 2406 | G | 83.8 | Confident | 71.9 | Confident | 13 Ų | 13 | 51.8 Ų | 51.8 | 13% | 0.134 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -61.4 | -47.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | L2402 G2403 V2404 L2408 Q2409 G2410 L2411 | L2402-G2406 PolarHBondContact O-N 2.81Å; G2403-G2406 PolarHBondContact O-N 3.27Å; G2403-G2406 VanDerWaalsContact O-N 3.14Å; V2404-G2406 PolarHBondContact O-N 3.49Å; G2406-L2408 VanDerWaalsContact C-N 3.35Å; G2406-L2408 PolarHBondContact O-N 3.35Å; G2406-Q2409 PolarHBondContact O-N 3.48Å; G2406-Q2409 VanDerWaalsContact O-N 3.13Å; G2406-G2410 PolarHBondContact O-N 3Å; G2406-L2411 CarbonylContact C-O 3.54Å; G2406-L2411 PolarHBondContact O-N 3.39Å |
| 2407 | K | 87.9 | Confident | 70.4 | Confident | 17 Ų | 17 | 53.4 Ų | 53.4 | 7% | 0.074 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -56.7 | -46.5 | 173.5 | -61.9 | 178.9 | -178.8 | 174.6 | 0 | 111.4 | Y2223 L2224 D2254 G2403 V2404 Q2409 G2410 H2439 | Y2223-K2407 HydrophobicContact CE1-CB 3.98Å; Y2223-K2407 HydrophobicContact CE1-CD 4.04Å; Y2223-K2407 HydrophobicContact CE1-CG 4.08Å; Y2223-K2407 HydrophobicContact CE2-CD 4.07Å; Y2223-K2407 HydrophobicContact CE2-CG 4.42Å; Y2223-K2407 WeakPolarHBondContact O-CD 3.43Å; Y2223-K2407 PolarHBondContact O-NZ 3.25Å; Y2223-K2407 WeakPolarHBondContact OH-CG 3.21Å; L2224-K2407 HydrophobicContact CD2-CB 3.84Å; D2254-K2407 IonicContact OD1-NZ 2.93Å; D2254-K2407 PolarHBondContact OD1-NZ 3.35Å; D2254-K2407 WeakPolarHBondContact OD2-CE 3.5Å; D2254-K2407 IonicContact OD2-NZ 3.24Å; D2254-K2407 PolarHBondContact OD2-NZ 3.28Å; G2403-K2407 WeakPolarHBondContact O-CG 3.45Å; G2403-K2407 PolarHBondContact O-N 3.1Å; V2404-K2407 PolarHBondContact O-N 3.29Å; K2407-Q2409 VanDerWaalsContact C-N 3.32Å; K2407-Q2409 PolarHBondContact O-N 3.45Å; K2407-G2410 PolarHBondContact O-N 3.24Å; K2407-H2439 PolarHBondContact O-CE1 3.22Å; K2407-H2439 VanDerWaalsContact O-CE1 3.28Å |
| 2408 | L | 86 | Confident | 68.9 | Low | 5 Ų | 5 | 57.7 Ų | 57.7 | 3% | 0.026 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -64.8 | -32.2 | 176.7 | -72.6 | 170.5 | 0 | 0 | 0 | 113 | L2224 L2297 R2298 I2304 L2305 V2404 K2405 G2406 | L2224-L2408 HydrophobicContact CD1-CD2 3.97Å; L2224-L2408 HydrophobicContact CD2-CD2 3.73Å; L2224-L2408 HydrophobicContact CD2-CG 4.07Å; L2224-L2408 HydrophobicContact CG-CD2 4.43Å; L2297-L2408 HydrophobicContact CB-CD2 4.27Å; L2297-L2408 WeakPolarHBondContact O-CD2 3.43Å; R2298-L2408 WeakPolarHBondContact CD-O 3.34Å; R2298-L2408 WeakPolarHBondContact CG-O 3.24Å; I2304-L2408 HydrophobicContact CD1-CD2 4.12Å; I2304-L2408 HydrophobicContact CG2-CD1 4.42Å; L2305-L2408 HydrophobicContact CD2-CD1 4.2Å; L2305-L2408 HydrophobicContact CG-CD1 4.09Å; V2404-L2408 HydrophobicContact CG1-CD1 4Å; V2404-L2408 HydrophobicContact CG1-CG 4.39Å; V2404-L2408 WeakPolarHBondContact O-CB 3.48Å; V2404-L2408 WeakPolarHBondContact O-CG 3.29Å; V2404-L2408 PolarHBondContact O-N 3.18Å; K2405-L2408 PolarHBondContact O-N 3.09Å; G2406-L2408 VanDerWaalsContact C-N 3.35Å; G2406-L2408 PolarHBondContact O-N 3.35Å |
| 2409 | Q | 80 | Confident | 67.1 | Low | 85 Ų | 85 | 56 Ų | 56 | 40% | 0.397 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -79.9 | -18.1 | 176.4 | -73.5 | -179.5 | -41.4 | 0 | 0 | 113.3 | R2298 K2405 G2406 K2407 L2411 Q2433 | R2298-Q2409 PolarHBondContact NH1-O 2.88Å; K2405-Q2409 WeakPolarHBondContact O-CB 3.38Å; K2405-Q2409 WeakPolarHBondContact O-CG 3.3Å; K2405-Q2409 PolarHBondContact O-N 3.34Å; G2406-Q2409 PolarHBondContact O-N 3.48Å; G2406-Q2409 VanDerWaalsContact O-N 3.13Å; K2407-Q2409 VanDerWaalsContact C-N 3.32Å; K2407-Q2409 PolarHBondContact O-N 3.45Å; Q2409-L2411 HydrophobicContact CB-CD1 4.44Å; Q2409-Q2433 WeakPolarHBondContact O-CG 3.45Å; Q2409-Q2433 PolarHBondContact O-NE2 3.02Å |
| 2410 | G | 80.6 | Confident | 64.9 | Low | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 92.4 | 14.2 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | G2406 K2407 V2412 L2434 | G2406-G2410 PolarHBondContact O-N 3Å; K2407-G2410 PolarHBondContact O-N 3.24Å; G2410-V2412 PolarHBondContact O-N 3.07Å; G2410-L2434 PolarHBondContact O-N 3.08Å; G2410-L2434 VanDerWaalsContact O-N 3.15Å |
| 2411 | L | 74.7 | Confident | 62.5 | Low | 64 Ų | 64 | 60.2 Ų | 60.2 | 34% | 0.335 | 36% | 0.357 | S | S | . | . | trans | -92.5 | 93.1 | 175.8 | -69.4 | 167.1 | 0 | 0 | 0 | 109.4 | G2406 Q2409 L2431 | G2406-L2411 CarbonylContact C-O 3.54Å; G2406-L2411 PolarHBondContact O-N 3.39Å; Q2409-L2411 HydrophobicContact CB-CD1 4.44Å; L2411-L2431 HydrophobicContact CD2-CB 4.37Å; L2411-L2431 WeakPolarHBondContact CD2-O 3.46Å | ||
| 2412 | V | 63.2 | Low | 60.1 | Low | 27 Ų | 27 | 68.2 Ų | 68.2 | 16% | 0.164 | 39% | 0.394 | C | S | . | . | trans | -94 | 115 | -179.7 | -174.6 | 0 | 0 | 0 | 0 | 109.7 | G2410 L2416 L2434 H2439 L2442 | G2410-V2412 PolarHBondContact O-N 3.07Å; V2412-L2416 HydrophobicContact CG1-CB 4.5Å; V2412-L2416 HydrophobicContact CG1-CD1 3.64Å; V2412-L2434 HydrophobicContact CG2-CD1 4.15Å; V2412-H2439 VanDerWaalsContact CG2-NE2 3.3Å; V2412-H2439 WeakPolarHBondContact CG2-NE2 3.47Å; V2412-L2442 HydrophobicContact CG1-CD2 4.38Å | ||
| 2413 | S | 51.4 | Low | 57.5 | Low | 97 Ų | 97 | 69.1 Ų | 69.1 | 68% | 0.678 | 40% | 0.404 | S | S | * | . | trans | -120.6 | 142.7 | -176.4 | 53.2 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 2414 | G | 47.1 | Very low | 54.7 | Low | 50 Ų | 50 | 73.2 Ų | 73.2 | 52% | 0.515 | 43% | 0.428 | S | S | . | . | S | Bend | trans | 81.7 | 128.3 | 171.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | L2416 | G2414-L2416 PolarHBondContact O-N 3Š|
| 2415 | N | 41.6 | Very low | 52 | Low | 131 Ų | 131 | 77.7 Ų | 77.7 | 70% | 0.701 | 46% | 0.459 | S | S | * | . | S | Bend | trans | 57.5 | -34.7 | 170 | -65.1 | -1.8 | 0 | 0 | 0 | 119.2 | V2417 V2418 | N2415-V2417 PolarHBondContact O-N 3.43Å; N2415-V2417 VanDerWaalsContact O-N 3.15Å; N2415-V2418 PolarHBondContact O-N 2.97Å; N2415-V2418 VanDerWaalsContact O-N 3.1Å |
| 2416 | L | 46.3 | Very low | 49.2 | Very low | 39 Ų | 39 | 80.9 Ų | 80.9 | 20% | 0.204 | 48% | 0.481 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -20.9 | -179 | -75.2 | 167.1 | 0 | 0 | 0 | 114 | V2412 G2414 L2442 A2446 | V2412-L2416 HydrophobicContact CG1-CB 4.5Å; V2412-L2416 HydrophobicContact CG1-CD1 3.64Å; G2414-L2416 PolarHBondContact O-N 3Å; L2416-L2442 HydrophobicContact CB-CD2 4.31Å; L2416-L2442 HydrophobicContact CD1-CD2 4.37Å; L2416-A2446 HydrophobicContact CD2-CB 3.59Å |
| 2417 | V | 38.4 | Very low | 46.3 | Very low | 93 Ų | 93 | 86.7 Ų | 86.7 | 56% | 0.564 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.9 | -13.1 | 179.1 | -175.8 | 0 | 0 | 0 | 0 | 112.3 | N2415 N2419 S2420 | N2415-V2417 PolarHBondContact O-N 3.43Å; N2415-V2417 VanDerWaalsContact O-N 3.15Å; V2417-N2419 PolarHBondContact O-N 2.85Å; V2417-S2420 PolarHBondContact O-OG 3.21Å |
| 2418 | V | 35.5 | Very low | 43.3 | Very low | 90 Ų | 90 | 91.9 Ų | 91.9 | 55% | 0.545 | 56% | 0.556 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -80.8 | -15.6 | -163.4 | -178.2 | 0 | 0 | 0 | 0 | 113.8 | N2415 | N2415-V2418 PolarHBondContact O-N 2.97Å; N2415-V2418 VanDerWaalsContact O-N 3.1Å |
| 2419 | N | 33.1 | Very low | 40.4 | Very low | 74 Ų | 74 | 94.8 Ų | 94.8 | 40% | 0.396 | 59% | 0.587 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -88.9 | -8.3 | -179.1 | -73.1 | 1 | 0 | 0 | 0 | 114.4 | V2417 N2421 S2451 N2452 | V2417-N2419 PolarHBondContact O-N 2.85Å; N2419-N2421 VanDerWaalsContact C-N 3.31Å; N2419-N2421 PolarHBondContact O-N 3.2Å; N2419-N2421 VanDerWaalsContact O-N 3.09Å; N2419-S2451 PolarHBondContact ND2-OG 2.85Å; N2419-N2452 PolarHBondContact ND2-OD1 3.44Å |
| 2420 | S | 29.5 | Very low | 37.9 | Very low | 87 Ų | 87 | 93.7 Ų | 93.7 | 61% | 0.608 | 60% | 0.599 | S | S | * | * | trans | -87.8 | 54.5 | -175.6 | 60.4 | 0 | 0 | 0 | 0 | 113.8 | V2417 E2422 | V2417-S2420 PolarHBondContact O-OG 3.21Å; S2420-E2422 VanDerWaalsContact C-N 3.31Å; S2420-E2422 PolarHBondContact O-N 3.37Å | ||
| 2421 | N | 24.5 | Very low | 36.2 | Very low | 137 Ų | 137 | 100.6 Ų | 100.6 | 73% | 0.733 | 64% | 0.635 | S | S | * | * | trans | -87.9 | 44.6 | -176.3 | -80.1 | -18.2 | 0 | 0 | 0 | 114.7 | N2419 | N2419-N2421 VanDerWaalsContact C-N 3.31Å; N2419-N2421 PolarHBondContact O-N 3.2Å; N2419-N2421 VanDerWaalsContact O-N 3.09Å | ||
| 2422 | E | 27.8 | Very low | 35.2 | Very low | 186 Ų | 186 | 103.8 Ų | 103.8 | 87% | 0.869 | 65% | 0.652 | S | S | * | * | S | Bend | trans | -137.6 | 50.4 | 168.8 | -73.5 | -161.6 | 152.7 | 0 | 0 | 112.3 | S2420 | S2420-E2422 VanDerWaalsContact C-N 3.31Å; S2420-E2422 PolarHBondContact O-N 3.37Å |
| 2423 | T | 25.4 | Very low | 35.6 | Very low | 131 Ų | 131 | 108.7 Ų | 108.7 | 80% | 0.804 | 67% | 0.673 | S | S | * | * | trans | -172.8 | 56 | 160.7 | 13.5 | 0 | 0 | 0 | 0 | 111.5 | S2425 | T2423-S2425 PolarHBondContact O-N 3.01Š| ||
| 2424 | S | 22.9 | Very low | 36.9 | Very low | 119 Ų | 119 | 106.7 Ų | 106.7 | 83% | 0.832 | 66% | 0.655 | S | S | * | * | trans | -86.4 | 64.5 | -172.7 | 63.9 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 2425 | S | 26.7 | Very low | 38.5 | Very low | 98 Ų | 98 | 108.9 Ų | 108.9 | 69% | 0.685 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -152.9 | 144.9 | 158.6 | 57.3 | 0 | 0 | 0 | 0 | 110.7 | T2423 | T2423-S2425 PolarHBondContact O-N 3.01Š|
| 2426 | N | 26 | Very low | 40.5 | Very low | 156 Ų | 156 | 103.7 Ų | 103.7 | 83% | 0.834 | 63% | 0.628 | S | S | * | * | S | Bend | trans | 66.6 | 46.4 | 179.5 | -54.8 | -14.7 | 0 | 0 | 0 | 117.3 | ||
| 2427 | C | 23.9 | Very low | 42.2 | Very low | 135 Ų | 135 | 103.9 Ų | 103.9 | 91% | 0.912 | 64% | 0.635 | S | S | * | * | trans | -143.8 | 69.5 | 159.7 | -92.9 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 2428 | S | 23.8 | Very low | 44.3 | Very low | 126 Ų | 126 | 100.9 Ų | 100.9 | 88% | 0.881 | 62% | 0.623 | S | S | * | * | trans | -122.2 | 66.9 | 177.7 | 62.8 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 2429 | G | 25.6 | Very low | 46.8 | Very low | 65 Ų | 65 | 96.6 Ų | 96.6 | 67% | 0.67 | 60% | 0.597 | S | S | * | * | S | Bend | trans | -175.9 | 146.5 | 176 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||
| 2430 | G | 28.6 | Very low | 49.6 | Very low | 62 Ų | 62 | 93.2 Ų | 93.2 | 64% | 0.639 | 58% | 0.579 | S | S | * | * | trans | 81.7 | 135.9 | 166.3 | 0 | 0 | 0 | 0 | 0 | 117.1 | D2432 | G2430-D2432 VanDerWaalsContact CA-OD1 3.3Å; G2430-D2432 WeakPolarHBondContact CA-OD1 3.41Å; G2430-D2432 PolarHBondContact O-N 3.11Å | ||
| 2431 | L | 44.5 | Very low | 52.3 | Low | 145 Ų | 145 | 90.9 Ų | 90.9 | 76% | 0.759 | 57% | 0.569 | S | S | * | * | trans | -87.2 | 65.8 | 148.6 | -86.1 | 164.6 | 0 | 0 | 0 | 106.8 | L2411 Q2433 | L2411-L2431 HydrophobicContact CD2-CB 4.37Å; L2411-L2431 WeakPolarHBondContact CD2-O 3.46Å; L2431-Q2433 PolarHBondContact O-N 2.7Å | ||
| 2432 | D | 52.9 | Low | 55.4 | Low | 131 Ų | 131 | 86.7 Ų | 86.7 | 70% | 0.701 | 55% | 0.546 | S | S | * | . | trans | -69.3 | 130.3 | -168.3 | -78.6 | 2.9 | 0 | 0 | 0 | 111.2 | G2430 L2434 | G2430-D2432 VanDerWaalsContact CA-OD1 3.3Å; G2430-D2432 WeakPolarHBondContact CA-OD1 3.41Å; G2430-D2432 PolarHBondContact O-N 3.11Å; D2432-L2434 PolarHBondContact O-N 2.94Å | ||
| 2433 | Q | 71.7 | Confident | 58.3 | Low | 130 Ų | 130 | 77.9 Ų | 77.9 | 61% | 0.607 | 51% | 0.505 | S | S | * | . | trans | -76.8 | 106 | -168.6 | -170.9 | 177.6 | 5.3 | 0 | 0 | 110.2 | Q2409 L2431 D2435 | Q2409-Q2433 WeakPolarHBondContact O-CG 3.45Å; Q2409-Q2433 PolarHBondContact O-NE2 3.02Å; L2431-Q2433 PolarHBondContact O-N 2.7Å; Q2433-D2435 PolarHBondContact O-N 3.47Å | ||
| 2434 | L | 78.9 | Confident | 61.4 | Low | 55 Ų | 55 | 72.2 Ų | 72.2 | 29% | 0.288 | 47% | 0.47 | S | S | . | . | trans | -62.6 | 133.4 | -174.6 | -69.8 | 173 | 0 | 0 | 0 | 111.8 | R2298 G2410 V2412 D2432 H2439 L2442 | R2298-L2434 PolarHBondContact NH1-O 2.98Å; R2298-L2434 PolarHBondContact NH2-O 3.38Å; G2410-L2434 PolarHBondContact O-N 3.08Å; G2410-L2434 VanDerWaalsContact O-N 3.15Å; V2412-L2434 HydrophobicContact CG2-CD1 4.15Å; D2432-L2434 PolarHBondContact O-N 2.94Å; L2434-H2439 HydrophobicContact CB-CB 4.04Å; L2434-L2442 HydrophobicContact CD1-CD1 4.13Å | ||
| 2435 | D | 81 | Confident | 64.6 | Low | 96 Ų | 96 | 76.2 Ų | 76.2 | 51% | 0.513 | 47% | 0.467 | S | S | . | . | trans | -63 | 178 | 169.2 | 93.4 | -67.2 | 0 | 0 | 0 | 111 | R2298 Q2433 A2437 G2438 H2439 | R2298-D2435 PolarHBondContact NH2-O 2.85Å; Q2433-D2435 PolarHBondContact O-N 3.47Å; D2435-A2437 WeakPolarHBondContact OD2-CB 3.33Å; D2435-A2437 PolarHBondContact OD2-N 2.88Å; D2435-G2438 WeakPolarHBondContact OD1-CA 3.36Å; D2435-G2438 PolarHBondContact OD1-N 3.16Å; D2435-H2439 WeakPolarHBondContact O-CB 3.25Å; D2435-H2439 PolarHBondContact O-N 3.29Å; D2435-H2439 VanDerWaalsContact O-N 3.17Å | ||
| 2436 | V | 83.4 | Confident | 67.5 | Low | 22 Ų | 22 | 72.1 Ų | 72.1 | 13% | 0.133 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -70.4 | -40.2 | -177.2 | 175.3 | 0 | 0 | 0 | 0 | 111.8 | E2291 L2294 R2295 I2440 | E2291-V2436 HydrophobicContact CB-CG1 3.92Å; E2291-V2436 HydrophobicContact CG-CG1 4.22Å; E2291-V2436 WeakPolarHBondContact O-CG1 3.45Å; L2294-V2436 HydrophobicContact CB-CG1 4.39Å; R2295-V2436 HydrophobicContact CB-CG1 4.34Å; R2295-V2436 HydrophobicContact CB-CG2 4.25Å; R2295-V2436 HydrophobicContact CG-CG2 4.46Å; V2436-I2440 WeakPolarHBondContact O-CG1 3.38Å; V2436-I2440 PolarHBondContact O-N 3.16Å; V2436-I2440 VanDerWaalsContact O-N 3.15Å |
| 2437 | A | 81.3 | Confident | 70.6 | Confident | 43 Ų | 43 | 64.7 Ų | 64.7 | 36% | 0.355 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -73.2 | -46 | -178.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | D2435 H2439 I2440 G2441 | D2435-A2437 WeakPolarHBondContact OD2-CB 3.33Å; D2435-A2437 PolarHBondContact OD2-N 2.88Å; A2437-H2439 VanDerWaalsContact C-N 3.34Å; A2437-H2439 PolarHBondContact O-N 3.33Å; A2437-I2440 PolarHBondContact O-N 3.44Å; A2437-G2441 PolarHBondContact O-N 2.93Å |
| 2438 | G | 82.8 | Confident | 73.8 | Confident | 31 Ų | 31 | 60.5 Ų | 60.5 | 32% | 0.32 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -61.7 | -39.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | D2435 G2441 L2442 | D2435-G2438 WeakPolarHBondContact OD1-CA 3.36Å; D2435-G2438 PolarHBondContact OD1-N 3.16Å; G2438-G2441 PolarHBondContact O-N 3.11Å; G2438-L2442 WeakPolarHBondContact O-CB 3.34Å; G2438-L2442 PolarHBondContact O-N 3.35Å |
| 2439 | H | 89.4 | Confident | 76.9 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -64.7 | -48.6 | 175.5 | -166.4 | 167.8 | 0 | 0 | 0 | 111.4 | Y2223 L2294 R2298 K2407 V2412 L2434 D2435 A2437 G2441 L2442 L2443 | Y2223-H2439 AromaticContact CE1-NE2 3.53Å; Y2223-H2439 AromaticContact CZ-NE2 3.66Å; Y2223-H2439 PolarHBondContact OH-NE2 2.88Å; Y2223-H2439 VanDerWaalsContact OH-NE2 3.16Å; L2294-H2439 HydrophobicContact CD2-CB 4.06Å; R2298-H2439 PolarHBondContact NH2-ND1 3.2Å; K2407-H2439 PolarHBondContact O-CE1 3.22Å; K2407-H2439 VanDerWaalsContact O-CE1 3.28Å; V2412-H2439 VanDerWaalsContact CG2-NE2 3.3Å; V2412-H2439 WeakPolarHBondContact CG2-NE2 3.47Å; L2434-H2439 HydrophobicContact CB-CB 4.04Å; D2435-H2439 WeakPolarHBondContact O-CB 3.25Å; D2435-H2439 PolarHBondContact O-N 3.29Å; D2435-H2439 VanDerWaalsContact O-N 3.17Å; A2437-H2439 VanDerWaalsContact C-N 3.34Å; A2437-H2439 PolarHBondContact O-N 3.33Å; H2439-G2441 PolarHBondContact O-N 2.74Å; H2439-L2442 PolarHBondContact O-N 3.22Å; H2439-L2443 WeakPolarHBondContact O-CG 3.28Å; H2439-L2443 PolarHBondContact O-N 3.37Å |
| 2440 | I | 90 | Very high | 80.1 | Confident | 2 Ų | 2 | 58.2 Ų | 58.2 | 1% | 0.01 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -62.5 | -41.4 | 176.3 | -68.9 | -55.8 | 0 | 0 | 0 | 111.8 | V2220 I2287 A2290 E2291 L2294 V2436 A2437 L2442 L2443 V2444 | V2220-I2440 HydrophobicContact CG2-CD1 3.87Å; I2287-I2440 HydrophobicContact CG1-CG2 4.47Å; I2287-I2440 HydrophobicContact CG2-CG2 4.19Å; A2290-I2440 HydrophobicContact CB-CD1 3.94Å; A2290-I2440 HydrophobicContact CB-CG1 4.3Å; A2290-I2440 HydrophobicContact CB-CG2 3.94Å; E2291-I2440 HydrophobicContact CG-CB 4.32Å; E2291-I2440 HydrophobicContact CG-CG1 4.2Å; L2294-I2440 HydrophobicContact CB-CD1 4.06Å; L2294-I2440 HydrophobicContact CB-CG1 4.42Å; L2294-I2440 HydrophobicContact CD2-CD1 3.76Å; L2294-I2440 HydrophobicContact CD2-CG1 3.96Å; V2436-I2440 WeakPolarHBondContact O-CG1 3.38Å; V2436-I2440 PolarHBondContact O-N 3.16Å; V2436-I2440 VanDerWaalsContact O-N 3.15Å; A2437-I2440 PolarHBondContact O-N 3.44Å; I2440-L2442 VanDerWaalsContact C-N 3.34Å; I2440-L2442 PolarHBondContact O-N 3.34Å; I2440-L2443 HydrophobicContact CD1-CD1 4.4Å; I2440-L2443 PolarHBondContact O-N 3.07Å; I2440-V2444 HydrophobicContact CG2-CG2 4.15Å; I2440-V2444 WeakPolarHBondContact O-CB 3.45Å; I2440-V2444 WeakPolarHBondContact O-CG2 3.25Å; I2440-V2444 PolarHBondContact O-N 3.32Å |
| 2441 | G | 87.4 | Confident | 82.9 | Confident | 38 Ų | 38 | 56.5 Ų | 56.5 | 39% | 0.392 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -58.3 | -43.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113 | A2437 G2438 H2439 R2445 | A2437-G2441 PolarHBondContact O-N 2.93Å; G2438-G2441 PolarHBondContact O-N 3.11Å; H2439-G2441 PolarHBondContact O-N 2.74Å; G2441-R2445 WeakPolarHBondContact O-CB 3.36Å; G2441-R2445 PolarHBondContact O-N 2.86Å |
| 2442 | L | 88.4 | Confident | 85.1 | Confident | 49 Ų | 49 | 50.2 Ų | 50.2 | 26% | 0.257 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -64.5 | -44.8 | 175.7 | -175.8 | 153.2 | 0 | 0 | 0 | 112 | V2412 L2416 L2434 G2438 H2439 I2440 R2445 A2446 | V2412-L2442 HydrophobicContact CG1-CD2 4.38Å; L2416-L2442 HydrophobicContact CB-CD2 4.31Å; L2416-L2442 HydrophobicContact CD1-CD2 4.37Å; L2434-L2442 HydrophobicContact CD1-CD1 4.13Å; G2438-L2442 WeakPolarHBondContact O-CB 3.34Å; G2438-L2442 PolarHBondContact O-N 3.35Å; H2439-L2442 PolarHBondContact O-N 3.22Å; I2440-L2442 VanDerWaalsContact C-N 3.34Å; I2440-L2442 PolarHBondContact O-N 3.34Å; L2442-R2445 PolarHBondContact O-N 3.39Å; L2442-A2446 WeakPolarHBondContact O-CB 3.38Å; L2442-A2446 PolarHBondContact O-N 3.33Å |
| 2443 | L | 90.7 | Very high | 86.9 | Confident | 1 Ų | 1 | 44.1 Ų | 44.1 | 1% | 0.005 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -66 | -42.7 | 179.8 | -66.7 | 173.3 | 0 | 0 | 0 | 112.6 | Y2223 P2266 F2267 H2439 I2440 A2446 A2447 | Y2223-L2443 HydrophobicContact CD1-CD1 3.59Å; Y2223-L2443 HydrophobicContact CD1-CD2 4.31Å; Y2223-L2443 HydrophobicContact CD2-CD1 4.44Å; Y2223-L2443 HydrophobicContact CD2-CD2 3.75Å; Y2223-L2443 HydrophobicContact CE1-CD1 3.61Å; Y2223-L2443 HydrophobicContact CE1-CD2 4.05Å; Y2223-L2443 HydrophobicContact CE1-CG 4.46Å; Y2223-L2443 HydrophobicContact CE2-CD1 4.46Å; Y2223-L2443 HydrophobicContact CE2-CD2 3.43Å; Y2223-L2443 VanDerWaalsContact CE2-CD2 3.43Å; Y2223-L2443 HydrophobicContact CG-CD1 4.02Å; Y2223-L2443 HydrophobicContact CG-CD2 4.16Å; P2266-L2443 HydrophobicContact CB-CD2 3.94Å; P2266-L2443 HydrophobicContact CG-CB 4.42Å; P2266-L2443 HydrophobicContact CG-CD2 4.19Å; P2266-L2443 WeakPolarHBondContact CG-O 3.26Å; F2267-L2443 HydrophobicContact CE1-CB 4.02Å; F2267-L2443 HydrophobicContact CZ-CB 4.45Å; H2439-L2443 WeakPolarHBondContact O-CG 3.28Å; H2439-L2443 PolarHBondContact O-N 3.37Å; I2440-L2443 HydrophobicContact CD1-CD1 4.4Å; I2440-L2443 PolarHBondContact O-N 3.07Å; L2443-A2446 PolarHBondContact O-N 3.4Å; L2443-A2447 WeakPolarHBondContact O-CB 3.3Å; L2443-A2447 PolarHBondContact O-N 3.44Å |
| 2444 | V | 90.4 | Very high | 87.7 | Confident | 13 Ų | 13 | 38.1 Ų | 38.1 | 8% | 0.079 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -60.8 | -49.1 | 175.9 | 167.8 | 0 | 0 | 0 | 0 | 110.4 | L2269 L2282 F2286 I2287 I2440 A2446 A2447 T2448 | L2269-V2444 HydrophobicContact CD2-CG1 4.26Å; L2269-V2444 HydrophobicContact CD2-CG2 4.44Å; L2282-V2444 HydrophobicContact CD1-CG1 3.81Å; F2286-V2444 HydrophobicContact CD1-CG2 4.33Å; F2286-V2444 HydrophobicContact CE1-CG2 3.84Å; I2287-V2444 HydrophobicContact CG1-CG2 4.24Å; I2440-V2444 HydrophobicContact CG2-CG2 4.15Å; I2440-V2444 WeakPolarHBondContact O-CB 3.45Å; I2440-V2444 WeakPolarHBondContact O-CG2 3.25Å; I2440-V2444 PolarHBondContact O-N 3.32Å; V2444-A2446 VanDerWaalsContact C-N 3.29Å; V2444-A2446 PolarHBondContact O-N 3Å; V2444-A2447 PolarHBondContact O-N 3.16Å; V2444-A2447 VanDerWaalsContact O-N 3.1Å; V2444-T2448 PolarHBondContact O-N 2.91Å; V2444-T2448 PolarHBondContact O-OG1 3.49Å |
| 2445 | R | 88.1 | Confident | 88.1 | Confident | 203 Ų | 203 | 39.5 Ų | 39.5 | 77% | 0.766 | 21% | 0.212 | S | C | * | . | H | α-helix | trans | -61.4 | -36.8 | 179.3 | -161.8 | 174 | -167.8 | 168.9 | 3 | 112.1 | G2441 L2442 D2449 | G2441-R2445 WeakPolarHBondContact O-CB 3.36Å; G2441-R2445 PolarHBondContact O-N 2.86Å; L2442-R2445 PolarHBondContact O-N 3.39Å; R2445-D2449 WeakPolarHBondContact O-CB 3.5Å; R2445-D2449 PolarHBondContact O-N 3.46Å |
| 2446 | A | 88.8 | Confident | 88.4 | Confident | 11 Ų | 11 | 35.7 Ų | 35.7 | 9% | 0.091 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -71.8 | -30 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | P2266 L2416 L2442 L2443 V2444 N2452 | P2266-A2446 HydrophobicContact CG-CB 4.37Å; L2416-A2446 HydrophobicContact CD2-CB 3.59Å; L2442-A2446 WeakPolarHBondContact O-CB 3.38Å; L2442-A2446 PolarHBondContact O-N 3.33Å; L2443-A2446 PolarHBondContact O-N 3.4Å; V2444-A2446 VanDerWaalsContact C-N 3.29Å; V2444-A2446 PolarHBondContact O-N 3Å; A2446-N2452 PolarHBondContact O-ND2 3.44Å |
| 2447 | A | 91.5 | Very high | 88.4 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -79 | -30.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | P2266 F2267 L2269 L2443 V2444 | P2266-A2447 HydrophobicContact CG-CB 4.04Å; F2267-A2447 HydrophobicContact CD2-CB 4.19Å; F2267-A2447 HydrophobicContact CE2-CB 3.94Å; F2267-A2447 HydrophobicContact CZ-CB 4.3Å; L2269-A2447 HydrophobicContact CB-CB 3.87Å; L2269-A2447 HydrophobicContact CD2-CB 4.39Å; L2443-A2447 WeakPolarHBondContact O-CB 3.3Å; L2443-A2447 PolarHBondContact O-N 3.44Å; V2444-A2447 PolarHBondContact O-N 3.16Å; V2444-A2447 VanDerWaalsContact O-N 3.1Å |
| 2448 | T | 90.7 | Very high | 88.5 | Confident | 47 Ų | 47 | 35.9 Ų | 35.9 | 29% | 0.288 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -95.2 | -12.8 | 180 | 58.8 | 0 | 0 | 0 | 0 | 114.3 | L2269 L2282 V2444 Y2450 | L2269-T2448 HydrophobicContact CD2-CG2 3.91Å; L2269-T2448 HydrophobicContact CG-CG2 4.35Å; L2282-T2448 HydrophobicContact CD1-CG2 3.99Å; V2444-T2448 PolarHBondContact O-N 2.91Å; V2444-T2448 PolarHBondContact O-OG1 3.49Å; T2448-Y2450 WeakPolarHBondContact O-CD1 3.47Å; T2448-Y2450 PolarHBondContact O-N 2.95Å |
| 2449 | D | 89.6 | Confident | 88.3 | Confident | 51 Ų | 51 | 35.3 Ų | 35.3 | 27% | 0.273 | 18% | 0.176 | S | C | . | . | trans | -60.4 | 118.3 | 178.9 | 175.6 | 19.2 | 0 | 0 | 0 | 112.4 | R2445 S2451 N2452 L2453 | R2445-D2449 WeakPolarHBondContact O-CB 3.5Å; R2445-D2449 PolarHBondContact O-N 3.46Å; D2449-S2451 PolarHBondContact O-N 3Å; D2449-S2451 VanDerWaalsContact OD1-CB 3.26Å; D2449-S2451 WeakPolarHBondContact OD1-CB 3.49Å; D2449-S2451 PolarHBondContact OD1-N 3.45Å; D2449-S2451 PolarHBondContact OD1-OG 2.89Å; D2449-S2451 WeakPolarHBondContact OD2-CB 3.49Å; D2449-S2451 PolarHBondContact OD2-OG 2.71Å; D2449-N2452 HydrophobicContact CB-CB 4.5Å; D2449-N2452 PolarHBondContact O-N 3.24Å; D2449-L2453 PolarHBondContact O-N 3.43Å | ||
| 2450 | Y | 91.3 | Very high | 88.1 | Confident | 93 Ų | 93 | 35.5 Ų | 35.5 | 37% | 0.365 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -61.4 | -25.6 | 176.7 | -70.9 | 10.3 | 0 | 0 | 0 | 112.1 | F2179 N2180 R2271 T2448 N2452 L2453 S2454 | F2179-Y2450 HydrophobicContact CD1-CD2 4.32Å; F2179-Y2450 HydrophobicContact CD1-CG 4.19Å; F2179-Y2450 AromaticContact CE1-CD1 3.98Å; F2179-Y2450 HydrophobicContact CE1-CD1 3.98Å; F2179-Y2450 HydrophobicContact CE1-CD2 4.24Å; F2179-Y2450 HydrophobicContact CE1-CE1 4.46Å; F2179-Y2450 AromaticContact CE1-CG 3.86Å; F2179-Y2450 HydrophobicContact CE1-CG 3.86Å; N2180-Y2450 WeakPolarHBondContact OD1-CD2 3.48Å; R2271-Y2450 WeakPolarHBondContact CD-OH 3.14Å; T2448-Y2450 WeakPolarHBondContact O-CD1 3.47Å; T2448-Y2450 PolarHBondContact O-N 2.95Å; Y2450-N2452 VanDerWaalsContact C-N 3.29Å; Y2450-N2452 PolarHBondContact O-N 2.66Å; Y2450-L2453 HydrophobicContact CD1-CD1 4.19Å; Y2450-S2454 WeakPolarHBondContact O-CB 3.46Å; Y2450-S2454 PolarHBondContact O-N 3.28Å; Y2450-S2454 PolarHBondContact O-OG 2.89Å |
| 2451 | S | 88.9 | Confident | 88 | Confident | 26 Ų | 26 | 36.1 Ų | 36.1 | 18% | 0.182 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -67.2 | -28.6 | 174.4 | 105 | 0 | 0 | 0 | 0 | 112.8 | N2419 D2449 R2455 | N2419-S2451 PolarHBondContact ND2-OG 2.85Å; D2449-S2451 PolarHBondContact O-N 3Å; D2449-S2451 VanDerWaalsContact OD1-CB 3.26Å; D2449-S2451 WeakPolarHBondContact OD1-CB 3.49Å; D2449-S2451 PolarHBondContact OD1-N 3.45Å; D2449-S2451 PolarHBondContact OD1-OG 2.89Å; D2449-S2451 WeakPolarHBondContact OD2-CB 3.49Å; D2449-S2451 PolarHBondContact OD2-OG 2.71Å; S2451-R2455 VanDerWaalsContact O-CD 3.28Å; S2451-R2455 WeakPolarHBondContact O-CD 3.21Å; S2451-R2455 VanDerWaalsContact O-CG 3.32Å; S2451-R2455 WeakPolarHBondContact O-CG 3.24Å; S2451-R2455 PolarHBondContact O-NE 2.84Å |
| 2452 | N | 90.3 | Very high | 88.1 | Confident | 12 Ų | 12 | 34.5 Ų | 34.5 | 6% | 0.064 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -86.6 | -47.2 | 172.5 | -67 | -29.2 | 0 | 0 | 0 | 111.1 | M2264 V2265 N2419 A2446 D2449 Y2450 S2454 R2455 | M2264-N2452 HydrophobicContact CB-CB 4.35Å; V2265-N2452 HydrophobicContact CG1-CB 4.01Å; N2419-N2452 PolarHBondContact ND2-OD1 3.44Å; A2446-N2452 PolarHBondContact O-ND2 3.44Å; D2449-N2452 HydrophobicContact CB-CB 4.5Å; D2449-N2452 PolarHBondContact O-N 3.24Å; Y2450-N2452 VanDerWaalsContact C-N 3.29Å; Y2450-N2452 PolarHBondContact O-N 2.66Å; N2452-S2454 VanDerWaalsContact C-N 3.32Å; N2452-S2454 PolarHBondContact O-N 2.79Å; N2452-R2455 WeakPolarHBondContact O-CB 3.35Å; N2452-R2455 PolarHBondContact O-N 2.81Å |
| 2453 | L | 90.1 | Very high | 88.1 | Confident | 4 Ų | 4 | 32.2 Ų | 32.2 | 2% | 0.021 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -60.3 | -38.1 | -178 | -71 | 169.4 | 0 | 0 | 0 | 112.8 | F2179 V2265 T2270 D2449 Y2450 R2455 M2456 W2460 A2462 | F2179-L2453 HydrophobicContact CE1-CB 4.08Å; F2179-L2453 HydrophobicContact CE2-CB 4.43Å; F2179-L2453 HydrophobicContact CZ-CB 3.78Å; F2179-L2453 HydrophobicContact CZ-CD1 4.47Å; V2265-L2453 HydrophobicContact CG1-CD2 3.95Å; V2265-L2453 HydrophobicContact CG1-CG 4.37Å; T2270-L2453 HydrophobicContact CG2-CD2 4.11Å; D2449-L2453 PolarHBondContact O-N 3.43Å; Y2450-L2453 HydrophobicContact CD1-CD1 4.19Å; L2453-R2455 PolarHBondContact O-N 3.4Å; L2453-M2456 WeakPolarHBondContact O-CB 3.22Å; L2453-M2456 WeakPolarHBondContact O-CG 3.44Å; L2453-M2456 PolarHBondContact O-N 3.38Å; L2453-W2460 HydrophobicContact CD2-CH2 4.22Å; L2453-W2460 HydrophobicContact CD2-CZ3 3.93Å; L2453-A2462 HydrophobicContact CB-CB 4.21Å; L2453-A2462 HydrophobicContact CD2-CB 4.16Å; L2453-A2462 WeakPolarHBondContact O-CB 3.5Å |
| 2454 | S | 89.3 | Confident | 88 | Confident | 4 Ų | 4 | 32.2 Ų | 32.2 | 3% | 0.028 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -15.3 | 176 | 59.6 | 0 | 0 | 0 | 0 | 114.5 | K2175 Y2450 N2452 | K2175-S2454 WeakPolarHBondContact CB-O 3.39Å; Y2450-S2454 WeakPolarHBondContact O-CB 3.46Å; Y2450-S2454 PolarHBondContact O-N 3.28Å; Y2450-S2454 PolarHBondContact O-OG 2.89Å; N2452-S2454 VanDerWaalsContact C-N 3.32Å; N2452-S2454 PolarHBondContact O-N 2.79Å |
| 2455 | R | 87.7 | Confident | 87.9 | Confident | 84 Ų | 84 | 33.2 Ų | 33.2 | 32% | 0.317 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | -14.6 | 176.5 | -61.5 | 174.9 | -161.3 | -166.3 | 5 | 113.1 | P2172 M2264 S2451 N2452 L2453 | P2172-R2455 HydrophobicContact CB-CG 4.48Å; M2264-R2455 HydrophobicContact CG-CB 4.19Å; S2451-R2455 VanDerWaalsContact O-CD 3.28Å; S2451-R2455 WeakPolarHBondContact O-CD 3.21Å; S2451-R2455 VanDerWaalsContact O-CG 3.32Å; S2451-R2455 WeakPolarHBondContact O-CG 3.24Å; S2451-R2455 PolarHBondContact O-NE 2.84Å; N2452-R2455 WeakPolarHBondContact O-CB 3.35Å; N2452-R2455 PolarHBondContact O-N 2.81Å; L2453-R2455 PolarHBondContact O-N 3.4Å |
| 2456 | M | 86.4 | Confident | 87.9 | Confident | 15 Ų | 15 | 24.3 Ų | 24.3 | 7% | 0.074 | 12% | 0.123 | C | C | . | . | S | Bend | trans | -63.5 | 157 | -178.4 | -62 | -65.7 | -75.1 | 0 | 0 | 112.6 | E2263 M2264 V2265 L2453 F2458 W2460 A2462 | E2263-M2456 HydrophobicContact CB-CE 3.92Å; E2263-M2456 HydrophobicContact CB-SD 4.42Å; E2263-M2456 HydrophobicContact CG-CE 3.81Å; M2264-M2456 HydrophobicContact CB-SD 4.24Å; M2264-M2456 PolarHBondContact N-SD 3.14Å; V2265-M2456 HydrophobicContact CG2-CE 3.79Å; V2265-M2456 HydrophobicContact CG2-SD 4.09Å; L2453-M2456 WeakPolarHBondContact O-CB 3.22Å; L2453-M2456 WeakPolarHBondContact O-CG 3.44Å; L2453-M2456 PolarHBondContact O-N 3.38Å; M2456-F2458 PolarHBondContact O-N 3.27Å; M2456-W2460 HydrophobicContact CB-CE3 4.46Å; M2456-W2460 HydrophobicContact CE-CD2 3.55Å; M2456-W2460 HydrophobicContact CE-CE3 3.98Å; M2456-W2460 HydrophobicContact CE-CG 3.94Å; M2456-W2460 HydrophobicContact CE-CH2 4.03Å; M2456-W2460 HydrophobicContact CE-CZ2 3.64Å; M2456-W2460 HydrophobicContact CE-CZ3 4.21Å; M2456-W2460 HydrophobicContact CG-CE3 4.43Å; M2456-A2462 HydrophobicContact CB-CB 4.28Å |
| 2457 | Y | 84.3 | Confident | 87.9 | Confident | 34 Ų | 34 | 25 Ų | 25 | 13% | 0.133 | 12% | 0.124 | C | C | . | . | trans | -58.8 | 132.2 | 171.3 | 178.4 | -111.3 | 0 | 0 | 0 | 111.1 | R2333 G2459 W2460 | R2333-Y2457 HydrophobicContact CB-CE1 3.81Å; R2333-Y2457 HydrophobicContact CG-CD1 4.47Å; R2333-Y2457 HydrophobicContact CG-CE1 3.95Å; R2333-Y2457 PolarHBondContact O-OH 2.82Å; Y2457-G2459 VanDerWaalsContact CD1-N 3.35Å; Y2457-G2459 VanDerWaalsContact CE1-CA 3.47Å; Y2457-G2459 PolarHBondContact O-N 2.83Å; Y2457-G2459 VanDerWaalsContact O-N 3.17Å; Y2457-W2460 WeakPolarHBondContact O-CA 3.46Å; Y2457-W2460 WeakPolarHBondContact O-CB 3.28Å; Y2457-W2460 PolarHBondContact O-N 2.91Å | ||
| 2458 | F | 83 | Confident | 87.6 | Confident | 35 Ų | 35 | 26.5 Ų | 26.5 | 15% | 0.154 | 13% | 0.132 | C | C | . | . | G | 310 helix | trans | -61.3 | -29.9 | -173.1 | 63 | -93.7 | 0 | 0 | 0 | 113.7 | K2161 L2164 K2168 M2456 W2460 Q2461 | K2161-F2458 HydrophobicContact CG-CD2 4.41Å; L2164-F2458 HydrophobicContact CB-CB 3.78Å; K2168-F2458 HydrophobicContact CB-CD1 4.42Å; K2168-F2458 HydrophobicContact CD-CE1 4.37Å; M2456-F2458 PolarHBondContact O-N 3.27Å; F2458-W2460 VanDerWaalsContact C-N 3.26Å; F2458-W2460 PolarHBondContact O-N 3.35Å; F2458-Q2461 WeakPolarHBondContact O-CA 3.38Å; F2458-Q2461 PolarHBondContact O-N 2.77Å |
| 2459 | G | 77.6 | Confident | 87.4 | Confident | 20 Ų | 20 | 25.2 Ų | 25.2 | 21% | 0.206 | 12% | 0.122 | C | C | . | . | G | 310 helix | trans | -74.2 | -10.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y2457 Q2461 | Y2457-G2459 VanDerWaalsContact CD1-N 3.35Å; Y2457-G2459 VanDerWaalsContact CE1-CA 3.47Å; Y2457-G2459 PolarHBondContact O-N 2.83Å; Y2457-G2459 VanDerWaalsContact O-N 3.17Å; G2459-Q2461 PolarHBondContact O-N 3.07Å |
| 2460 | W | 85.5 | Confident | 87.3 | Confident | 3 Ų | 3 | 23.5 Ų | 23.5 | 1% | 0.011 | 11% | 0.112 | C | C | . | . | G | 310 helix | trans | -74.4 | -12 | 164.5 | -163.2 | 99.3 | 0 | 0 | 0 | 111.2 | R2230 V2265 R2268 T2270 L2453 M2456 Y2457 F2458 A2462 | R2230-W2460 PolarHBondContact O-NE1 3.36Å; V2265-W2460 HydrophobicContact CG2-CH2 3.77Å; V2265-W2460 HydrophobicContact CG2-CZ2 3.79Å; R2268-W2460 HydrophobicContact CB-CH2 3.97Å; R2268-W2460 HydrophobicContact CB-CZ2 3.78Å; R2268-W2460 HydrophobicContact CG-CH2 3.57Å; R2268-W2460 HydrophobicContact CG-CZ2 3.76Å; R2268-W2460 HydrophobicContact CG-CZ3 4.21Å; R2268-W2460 PolarHBondContact NH1-O 3.01Å; R2268-W2460 PolarHBondContact NH2-O 3.44Å; T2270-W2460 HydrophobicContact CG2-CH2 4Å; T2270-W2460 HydrophobicContact CG2-CZ3 3.6Å; L2453-W2460 HydrophobicContact CD2-CH2 4.22Å; L2453-W2460 HydrophobicContact CD2-CZ3 3.93Å; M2456-W2460 HydrophobicContact CB-CE3 4.46Å; M2456-W2460 HydrophobicContact CE-CD2 3.55Å; M2456-W2460 HydrophobicContact CE-CE3 3.98Å; M2456-W2460 HydrophobicContact CE-CG 3.94Å; M2456-W2460 HydrophobicContact CE-CH2 4.03Å; M2456-W2460 HydrophobicContact CE-CZ2 3.64Å; M2456-W2460 HydrophobicContact CE-CZ3 4.21Å; M2456-W2460 HydrophobicContact CG-CE3 4.43Å; Y2457-W2460 WeakPolarHBondContact O-CA 3.46Å; Y2457-W2460 WeakPolarHBondContact O-CB 3.28Å; Y2457-W2460 PolarHBondContact O-N 2.91Å; F2458-W2460 VanDerWaalsContact C-N 3.26Å; F2458-W2460 PolarHBondContact O-N 3.35Å; W2460-A2462 HydrophobicContact CE3-CB 3.74Å; W2460-A2462 HydrophobicContact CZ3-CB 3.8Å; W2460-A2462 PolarHBondContact O-N 3.31Å |
| 2461 | Q | 88.9 | Confident | 87 | Confident | 15 Ų | 15 | 18.5 Ų | 18.5 | 7% | 0.07 | 9% | 0.094 | C | C | . | . | trans | 52.1 | 55.9 | 173.5 | -58.6 | 179.2 | -66.8 | 0 | 0 | 112.9 | P2232 R2268 F2458 G2459 Y2463 L2464 | P2232-Q2461 HydrophobicContact CG-CB 4.29Å; R2268-Q2461 PolarHBondContact NH2-O 3.21Å; F2458-Q2461 WeakPolarHBondContact O-CA 3.38Å; F2458-Q2461 PolarHBondContact O-N 2.77Å; G2459-Q2461 PolarHBondContact O-N 3.07Å; Q2461-Y2463 HydrophobicContact CB-CE1 3.96Å; Q2461-Y2463 HydrophobicContact CG-CE1 4.26Å; Q2461-Y2463 PolarHBondContact NE2-OH 2.97Å; Q2461-Y2463 PolarHBondContact O-N 2.91Å; Q2461-L2464 HydrophobicContact CB-CD1 4Å; Q2461-L2464 HydrophobicContact CB-CG 4.28Å; Q2461-L2464 PolarHBondContact O-N 3.23Å | ||
| 2462 | A | 88.4 | Confident | 86.9 | Confident | 5 Ų | 5 | 17.9 Ų | 17.9 | 4% | 0.041 | 9% | 0.087 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -11.9 | -174.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | F2179 L2453 M2456 W2460 | F2179-A2462 HydrophobicContact CE2-CB 3.86Å; F2179-A2462 HydrophobicContact CZ-CB 4.31Å; F2179-A2462 WeakPolarHBondContact CZ-O 3.38Å; L2453-A2462 HydrophobicContact CB-CB 4.21Å; L2453-A2462 HydrophobicContact CD2-CB 4.16Å; L2453-A2462 WeakPolarHBondContact O-CB 3.5Å; M2456-A2462 HydrophobicContact CB-CB 4.28Å; W2460-A2462 HydrophobicContact CE3-CB 3.74Å; W2460-A2462 HydrophobicContact CZ3-CB 3.8Å; W2460-A2462 PolarHBondContact O-N 3.31Å |
| 2463 | Y | 89.3 | Confident | 86.6 | Confident | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 9% | 0.089 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | -13.4 | 176.3 | 55.8 | -87 | 0 | 0 | 0 | 113.5 | P2157 A2160 K2161 L2164 I2182 L2186 R2271 Q2461 | P2157-Y2463 HydrophobicContact CB-CE2 4.26Å; P2157-Y2463 PolarHBondContact O-OH 3.39Å; A2160-Y2463 HydrophobicContact CB-CD1 4.42Å; A2160-Y2463 HydrophobicContact CB-CD2 3.78Å; A2160-Y2463 HydrophobicContact CB-CE1 4.17Å; A2160-Y2463 HydrophobicContact CB-CE2 3.46Å; A2160-Y2463 VanDerWaalsContact CB-CE2 3.46Å; A2160-Y2463 HydrophobicContact CB-CG 4.24Å; K2161-Y2463 WeakPolarHBondContact CB-OH 3.06Å; K2161-Y2463 PolarHBondContact N-OH 3.41Å; L2164-Y2463 HydrophobicContact CD1-CD1 3.48Å; L2164-Y2463 VanDerWaalsContact CD1-CD1 3.48Å; L2164-Y2463 HydrophobicContact CD1-CE1 3.89Å; I2182-Y2463 HydrophobicContact CG2-CD2 4.26Å; I2182-Y2463 HydrophobicContact CG2-CG 3.98Å; L2186-Y2463 HydrophobicContact CD1-CD2 3.88Å; L2186-Y2463 HydrophobicContact CD1-CE2 4.11Å; L2186-Y2463 HydrophobicContact CD2-CD2 4.39Å; R2271-Y2463 PolarHBondContact NE-O 3.35Å; R2271-Y2463 PolarHBondContact NH2-O 2.95Å; Q2461-Y2463 HydrophobicContact CB-CE1 3.96Å; Q2461-Y2463 HydrophobicContact CG-CE1 4.26Å; Q2461-Y2463 PolarHBondContact NE2-OH 2.97Å; Q2461-Y2463 PolarHBondContact O-N 2.91Å |
| 2464 | L | 88.7 | Confident | 86.3 | Confident | 2 Ų | 2 | 19.7 Ų | 19.7 | 1% | 0.01 | 10% | 0.095 | C | C | . | . | trans | -92.7 | 0 | 170.8 | -57.9 | 179.9 | 0 | 0 | 0 | 109.7 | L2139 A2140 H2147 P2157 L2186 R2268 T2270 R2271 D2272 Q2461 | L2139-L2464 HydrophobicContact CD1-CB 4.3Å; A2140-L2464 HydrophobicContact CB-CD1 4.1Å; H2147-L2464 WeakPolarHBondContact NE2-CD2 3.38Å; P2157-L2464 HydrophobicContact CB-CD2 4.38Å; P2157-L2464 HydrophobicContact CG-CD2 4.39Å; L2186-L2464 HydrophobicContact CD2-CD2 4.14Å; R2268-L2464 PolarHBondContact NH2-O 3.27Å; T2270-L2464 VanDerWaalsContact CB-C 3.47Å; T2270-L2464 WeakPolarHBondContact CB-O 3.31Å; T2270-L2464 WeakPolarHBondContact CB-OXT 3.35Å; T2270-L2464 VanDerWaalsContact OG1-C 3.24Å; T2270-L2464 PolarHBondContact OG1-O 2.95Å; T2270-L2464 PolarHBondContact OG1-OXT 3.43Å; R2271-L2464 PolarHBondContact N-OXT 3.18Å; D2272-L2464 PolarHBondContact N-OXT 2.87Å; Q2461-L2464 HydrophobicContact CB-CD1 4Å; Q2461-L2464 HydrophobicContact CB-CG 4.28Å; Q2461-L2464 PolarHBondContact O-N 3.23Å |
Retrieved 2,464 of 2,464 residues in 1169.7 ms
(Link to these results)