| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 34.1 | Very low | 54 | Low | 239 Ų | 239 | 113 Ų | 113 | 100% | 1.177 | 62% | 0.616 | S | S | * | * | 0 | 92.6 | 0 | -68.6 | -177.4 | 179.5 | 0 | 0 | 108.4 | K3 | M1-K3 PolarHBondContact O-N 2.99Š| |||
| 2 | S | 33.7 | Very low | 56.8 | Low | 112 Ų | 112 | 113.2 Ų | 113.2 | 78% | 0.783 | 63% | 0.627 | S | S | * | * | trans | -64.5 | 122.7 | 166.3 | 47 | 0 | 0 | 0 | 0 | 106.7 | Q4 | S2-Q4 VanDerWaalsContact C-N 3.26Å; S2-Q4 PolarHBondContact O-N 3.03Å | ||
| 3 | K | 35.9 | Very low | 59.3 | Low | 210 Ų | 210 | 116.2 Ų | 116.2 | 91% | 0.913 | 63% | 0.63 | S | S | * | * | trans | -58.8 | 93.7 | 171.8 | -71.6 | 177 | 175.8 | 179 | 0 | 106.9 | M1 A5 | M1-K3 PolarHBondContact O-N 2.99Å; K3-A5 VanDerWaalsContact C-N 3.32Å; K3-A5 PolarHBondContact O-N 2.79Å | ||
| 4 | Q | 36.5 | Very low | 61.5 | Low | 165 Ų | 165 | 110.1 Ų | 110.1 | 77% | 0.771 | 60% | 0.596 | S | S | * | * | trans | -57.5 | 105.9 | 164.1 | -81.7 | 179.5 | -15.7 | 0 | 0 | 105.1 | S2 S6 | S2-Q4 VanDerWaalsContact C-N 3.26Å; S2-Q4 PolarHBondContact O-N 3.03Å; Q4-S6 PolarHBondContact O-N 3.28Å | ||
| 5 | A | 41.6 | Very low | 63.4 | Low | 88 Ų | 88 | 107.5 Ų | 107.5 | 73% | 0.727 | 58% | 0.58 | S | S | * | * | trans | -45.7 | 126 | 169.3 | 0 | 0 | 0 | 0 | 0 | 107.2 | K3 T7 | K3-A5 VanDerWaalsContact C-N 3.32Å; K3-A5 PolarHBondContact O-N 2.79Å; A5-T7 PolarHBondContact O-N 3.33Å | ||
| 6 | S | 45.2 | Very low | 65.2 | Low | 72 Ų | 72 | 104.3 Ų | 104.3 | 50% | 0.503 | 57% | 0.568 | S | S | . | * | trans | -47.2 | 96.4 | -167.8 | 48.8 | 0 | 0 | 0 | 0 | 112.1 | Q4 Y8 T9 | Q4-S6 PolarHBondContact O-N 3.28Å; S6-Y8 PolarHBondContact O-N 2.97Å; S6-T9 PolarHBondContact O-N 2.79Å; S6-T9 PolarHBondContact O-OG1 3.02Å; S6-T9 PolarHBondContact OG-OG1 3.19Å | ||
| 7 | T | 53.6 | Low | 66.8 | Low | 75 Ų | 75 | 99.1 Ų | 99.1 | 46% | 0.46 | 54% | 0.54 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -11.1 | 173.7 | 40 | 0 | 0 | 0 | 0 | 112.4 | A5 | A5-T7 PolarHBondContact O-N 3.33Š|
| 8 | Y | 63.3 | Low | 68.3 | Low | 130 Ų | 130 | 94.4 Ų | 94.4 | 51% | 0.51 | 51% | 0.514 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | -21 | -178.5 | -55.5 | -67 | 0 | 0 | 0 | 114.8 | S6 H49 N80 | S6-Y8 PolarHBondContact O-N 2.97Å; Y8-H49 PolarHBondContact O-NE2 3.31Å; Y8-N80 HydrophobicContact CD1-CB 4.32Å |
| 9 | T | 76.8 | Confident | 69.6 | Low | 89 Ų | 89 | 96.8 Ų | 96.8 | 55% | 0.546 | 52% | 0.519 | S | S | . | . | S | Bend | trans | -114.2 | 116.6 | -172.8 | 49.2 | 0 | 0 | 0 | 0 | 111.4 | S6 | S6-T9 PolarHBondContact O-N 2.79Å; S6-T9 PolarHBondContact O-OG1 3.02Å; S6-T9 PolarHBondContact OG-OG1 3.19Å |
| 10 | L | 85 | Confident | 70.8 | Confident | 16 Ų | 16 | 97.9 Ų | 97.9 | 8% | 0.084 | 52% | 0.515 | C | S | . | . | trans | -66.3 | 139 | 175.8 | -67.7 | 175.9 | 0 | 0 | 0 | 111.6 | E14 L15 F18 I40 F46 H49 | L10-E14 HydrophobicContact CB-CB 4.06Å; L10-E14 HydrophobicContact CD1-CB 4.42Å; L10-E14 HydrophobicContact CD2-CB 4Å; L10-E14 HydrophobicContact CG-CB 4.38Å; L10-L15 HydrophobicContact CB-CB 4.1Å; L10-F18 HydrophobicContact CD1-CB 3.67Å; L10-F18 HydrophobicContact CD1-CD2 4.33Å; L10-F18 HydrophobicContact CD1-CG 4.03Å; L10-I40 HydrophobicContact CD1-CD1 4.41Å; L10-I40 HydrophobicContact CD1-CG2 4.46Å; L10-I40 HydrophobicContact CD2-CG2 3.97Å; L10-F46 HydrophobicContact CD2-CB 4.14Å; L10-F46 HydrophobicContact CD2-CD1 3.87Å; L10-F46 HydrophobicContact CD2-CD2 4.47Å; L10-F46 HydrophobicContact CD2-CE1 4.46Å; L10-F46 HydrophobicContact CD2-CG 3.9Å; L10-H49 HydrophobicContact CD2-CB 4.4Å | ||
| 11 | P | 88.6 | Confident | 71.8 | Confident | 47 Ų | 47 | 93.2 Ų | 93.2 | 31% | 0.305 | 49% | 0.491 | S | S | . | . | trans | -60.6 | 161.5 | 170.3 | -11.6 | 20 | 0 | 0 | 0 | 111.5 | K13 E14 L15 F46 | P11-K13 PolarHBondContact O-N 3.28Å; P11-E14 WeakPolarHBondContact CB-OE2 3.42Å; P11-E14 VanDerWaalsContact CG-OE2 3.29Å; P11-E14 WeakPolarHBondContact CG-OE2 3.29Å; P11-E14 PolarHBondContact O-N 2.95Å; P11-E14 VanDerWaalsContact O-N 3.1Å; P11-L15 VanDerWaalsContact O-CB 3.27Å; P11-L15 WeakPolarHBondContact O-CB 3.48Å; P11-L15 PolarHBondContact O-N 2.79Å; P11-F46 HydrophobicContact CG-CE1 4.15Å; P11-F46 HydrophobicContact CG-CE2 3.93Å; P11-F46 HydrophobicContact CG-CZ 3.35Å | ||
| 12 | P | 87.7 | Confident | 74.6 | Confident | 115 Ų | 115 | 84.1 Ų | 84.1 | 75% | 0.747 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -51.5 | -36.1 | -176.2 | -29 | 34.9 | 0 | 0 | 0 | 115.1 | S16 | P12-S16 WeakPolarHBondContact O-CB 3.34Å; P12-S16 PolarHBondContact O-N 2.91Å |
| 13 | K | 89.2 | Confident | 77.4 | Confident | 152 Ų | 152 | 84.6 Ų | 84.6 | 66% | 0.661 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -67.2 | -54.1 | 178.1 | -177.5 | -177.3 | 179.4 | -178 | 0 | 111.3 | P11 L15 S16 I17 | P11-K13 PolarHBondContact O-N 3.28Å; K13-L15 VanDerWaalsContact C-N 3.35Å; K13-S16 WeakPolarHBondContact O-CB 3.47Å; K13-S16 PolarHBondContact O-N 3.14Å; K13-I17 WeakPolarHBondContact O-CG1 3.47Å; K13-I17 PolarHBondContact O-N 2.69Å; K13-I17 VanDerWaalsContact O-N 3.14Å |
| 14 | E | 89.9 | Confident | 80.2 | Confident | 32 Ų | 32 | 76.9 Ų | 76.9 | 15% | 0.15 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -68 | -34.4 | 178.8 | -69.7 | 72.2 | -165 | 0 | 0 | 111.9 | L10 P11 S16 I17 F18 F46 | L10-E14 HydrophobicContact CB-CB 4.06Å; L10-E14 HydrophobicContact CD1-CB 4.42Å; L10-E14 HydrophobicContact CD2-CB 4Å; L10-E14 HydrophobicContact CG-CB 4.38Å; P11-E14 WeakPolarHBondContact CB-OE2 3.42Å; P11-E14 VanDerWaalsContact CG-OE2 3.29Å; P11-E14 WeakPolarHBondContact CG-OE2 3.29Å; P11-E14 PolarHBondContact O-N 2.95Å; P11-E14 VanDerWaalsContact O-N 3.1Å; E14-S16 VanDerWaalsContact C-N 3.34Å; E14-I17 CarbonylContact O-C 3.59Å; E14-I17 WeakPolarHBondContact O-CB 3.43Å; E14-I17 PolarHBondContact O-N 3.29Å; E14-I17 VanDerWaalsContact O-N 3.16Å; E14-F18 WeakPolarHBondContact O-CB 3.27Å; E14-F18 PolarHBondContact O-N 3.5Å; E14-F46 HydrophobicContact CG-CD2 3.96Å; E14-F46 HydrophobicContact CG-CE2 3.9Å |
| 15 | L | 90.6 | Very high | 82.8 | Confident | 70 Ų | 70 | 72.1 Ų | 72.1 | 37% | 0.366 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -63.3 | -39.7 | 173 | -175.4 | 65.6 | 0 | 0 | 0 | 111.4 | L10 P11 K13 I17 F18 K19 | L10-L15 HydrophobicContact CB-CB 4.1Å; P11-L15 VanDerWaalsContact O-CB 3.27Å; P11-L15 WeakPolarHBondContact O-CB 3.48Å; P11-L15 PolarHBondContact O-N 2.79Å; K13-L15 VanDerWaalsContact C-N 3.35Å; L15-I17 VanDerWaalsContact C-N 3.32Å; L15-I17 PolarHBondContact O-N 2.81Å; L15-F18 PolarHBondContact O-N 3.16Å; L15-K19 WeakPolarHBondContact O-CG 3.38Å; L15-K19 PolarHBondContact O-N 3.1Å |
| 16 | S | 91.8 | Very high | 85.1 | Confident | 56 Ų | 56 | 73.3 Ų | 73.3 | 39% | 0.392 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -63.4 | -38.5 | 172.5 | 177.2 | 0 | 0 | 0 | 0 | 111.9 | P12 K13 E14 R20 | P12-S16 WeakPolarHBondContact O-CB 3.34Å; P12-S16 PolarHBondContact O-N 2.91Å; K13-S16 WeakPolarHBondContact O-CB 3.47Å; K13-S16 PolarHBondContact O-N 3.14Å; E14-S16 VanDerWaalsContact C-N 3.34Å; S16-R20 WeakPolarHBondContact O-CG 3.46Å; S16-R20 PolarHBondContact O-N 3.24Å |
| 17 | I | 92.5 | Very high | 87.3 | Confident | 16 Ų | 16 | 74.3 Ų | 74.3 | 8% | 0.082 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -66.5 | -42.7 | 174.8 | -62.4 | 167 | 0 | 0 | 0 | 109.9 | K13 E14 L15 K19 R20 V21 Y36 I40 | K13-I17 WeakPolarHBondContact O-CG1 3.47Å; K13-I17 PolarHBondContact O-N 2.69Å; K13-I17 VanDerWaalsContact O-N 3.14Å; E14-I17 CarbonylContact O-C 3.59Å; E14-I17 WeakPolarHBondContact O-CB 3.43Å; E14-I17 PolarHBondContact O-N 3.29Å; E14-I17 VanDerWaalsContact O-N 3.16Å; L15-I17 VanDerWaalsContact C-N 3.32Å; L15-I17 PolarHBondContact O-N 2.81Å; I17-K19 PolarHBondContact O-N 3.37Å; I17-R20 CarbonylContact O-C 3.23Å; I17-R20 WeakPolarHBondContact O-CA 3.34Å; I17-R20 VanDerWaalsContact O-CB 3.3Å; I17-R20 WeakPolarHBondContact O-CB 3.37Å; I17-R20 PolarHBondContact O-N 3.46Å; I17-V21 WeakPolarHBondContact O-CG2 3.44Å; I17-V21 PolarHBondContact O-N 3.46Å; I17-Y36 HydrophobicContact CG2-CD1 3.86Å; I17-Y36 HydrophobicContact CG2-CG 4.27Å; I17-I40 HydrophobicContact CB-CD1 4.09Å; I17-I40 HydrophobicContact CB-CG1 4.13Å; I17-I40 HydrophobicContact CG2-CD1 3.81Å; I17-I40 HydrophobicContact CG2-CG1 3.78Å |
| 18 | F | 93.4 | Very high | 89.1 | Confident | 16 Ų | 16 | 76.5 Ų | 76.5 | 7% | 0.07 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -61.2 | -43.8 | 178.8 | -177.9 | -102.2 | 0 | 0 | 0 | 111.8 | L10 E14 L15 R20 V21 V22 I40 E51 M55 | L10-F18 HydrophobicContact CD1-CB 3.67Å; L10-F18 HydrophobicContact CD1-CD2 4.33Å; L10-F18 HydrophobicContact CD1-CG 4.03Å; E14-F18 WeakPolarHBondContact O-CB 3.27Å; E14-F18 PolarHBondContact O-N 3.5Å; L15-F18 PolarHBondContact O-N 3.16Å; F18-R20 PolarHBondContact O-N 3.44Å; F18-V21 WeakPolarHBondContact O-CA 3.47Å; F18-V21 VanDerWaalsContact O-CB 3.3Å; F18-V21 WeakPolarHBondContact O-CB 3.49Å; F18-V21 PolarHBondContact O-N 3.24Å; F18-V22 HydrophobicContact CD1-CG2 4.47Å; F18-V22 HydrophobicContact CE1-CG2 4.06Å; F18-V22 HydrophobicContact CZ-CG2 4.23Å; F18-V22 PolarHBondContact O-N 3.19Å; F18-I40 HydrophobicContact CB-CD1 3.86Å; F18-I40 HydrophobicContact CD2-CD1 4.41Å; F18-E51 HydrophobicContact CE2-CB 3.89Å; F18-E51 HydrophobicContact CZ-CB 3.65Å; F18-M55 HydrophobicContact CE2-CB 4.35Å; F18-M55 HydrophobicContact CE2-CG 3.7Å; F18-M55 HydrophobicContact CZ-CG 3.92Å |
| 19 | K | 93.1 | Very high | 90.5 | Very high | 139 Ų | 139 | 74.2 Ų | 74.2 | 60% | 0.604 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -57.9 | -34.2 | 171.8 | -71.9 | -179.6 | -179.9 | -175.4 | 0 | 112.7 | L15 I17 K23 | L15-K19 WeakPolarHBondContact O-CG 3.38Å; L15-K19 PolarHBondContact O-N 3.1Å; I17-K19 PolarHBondContact O-N 3.37Å; K19-K23 WeakPolarHBondContact O-CB 3.4Å; K19-K23 PolarHBondContact O-N 3.04Å |
| 20 | R | 93.2 | Very high | 91.3 | Very high | 119 Ų | 119 | 72.4 Ų | 72.4 | 45% | 0.449 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -68.7 | -39.1 | 172.2 | -65.8 | 178.4 | -169.6 | -172.9 | 2.5 | 111.8 | S16 I17 F18 V22 K23 Y24 | S16-R20 WeakPolarHBondContact O-CG 3.46Å; S16-R20 PolarHBondContact O-N 3.24Å; I17-R20 CarbonylContact O-C 3.23Å; I17-R20 WeakPolarHBondContact O-CA 3.34Å; I17-R20 VanDerWaalsContact O-CB 3.3Å; I17-R20 WeakPolarHBondContact O-CB 3.37Å; I17-R20 PolarHBondContact O-N 3.46Å; F18-R20 PolarHBondContact O-N 3.44Å; R20-V22 VanDerWaalsContact C-N 3.33Å; R20-V22 PolarHBondContact O-N 3.02Å; R20-K23 PolarHBondContact O-N 3.32Å; R20-Y24 HydrophobicContact CB-CD2 4.23Å; R20-Y24 HydrophobicContact CB-CE2 4.04Å; R20-Y24 WeakPolarHBondContact O-CB 3.45Å; R20-Y24 WeakPolarHBondContact O-CD2 3.47Å; R20-Y24 PolarHBondContact O-N 3.45Å |
| 21 | V | 93.2 | Very high | 91.7 | Very high | 0 Ų | 0 | 78.7 Ų | 78.7 | 0% | 0 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -56.8 | -48.6 | 175.3 | 178.9 | 0 | 0 | 0 | 0 | 110.4 | I17 F18 Y24 Y25 A37 M55 L59 | I17-V21 WeakPolarHBondContact O-CG2 3.44Å; I17-V21 PolarHBondContact O-N 3.46Å; F18-V21 WeakPolarHBondContact O-CA 3.47Å; F18-V21 VanDerWaalsContact O-CB 3.3Å; F18-V21 WeakPolarHBondContact O-CB 3.49Å; F18-V21 PolarHBondContact O-N 3.24Å; V21-Y24 PolarHBondContact O-N 3.35Å; V21-Y25 PolarHBondContact O-N 3.26Å; V21-A37 HydrophobicContact CG1-CB 4.14Å; V21-A37 HydrophobicContact CG2-CB 4.24Å; V21-M55 HydrophobicContact CG1-CB 3.99Å; V21-M55 HydrophobicContact CG1-CE 4.08Å; V21-L59 HydrophobicContact CG1-CD1 3.78Å |
| 22 | V | 91.8 | Very high | 91.9 | Very high | 47 Ų | 47 | 79.9 Ų | 79.9 | 29% | 0.285 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -60.9 | -49.1 | 176.1 | 179.6 | 0 | 0 | 0 | 0 | 110.9 | F18 R20 Y24 Y25 D26 M55 | F18-V22 HydrophobicContact CD1-CG2 4.47Å; F18-V22 HydrophobicContact CE1-CG2 4.06Å; F18-V22 HydrophobicContact CZ-CG2 4.23Å; F18-V22 PolarHBondContact O-N 3.19Å; R20-V22 VanDerWaalsContact C-N 3.33Å; R20-V22 PolarHBondContact O-N 3.02Å; V22-Y24 VanDerWaalsContact C-N 3.3Å; V22-Y24 PolarHBondContact O-N 3.37Å; V22-Y25 WeakPolarHBondContact O-CA 3.33Å; V22-Y25 WeakPolarHBondContact O-CB 3.43Å; V22-Y25 PolarHBondContact O-N 3.05Å; V22-D26 PolarHBondContact O-N 2.96Å; V22-M55 HydrophobicContact CG2-CE 4.12Å; V22-M55 HydrophobicContact CG2-SD 4.3Å |
| 23 | K | 92.6 | Very high | 92.2 | Very high | 123 Ų | 123 | 74.4 Ų | 74.4 | 54% | 0.535 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -57.5 | -40.8 | 177 | -177.2 | 177.9 | 177.5 | 177.6 | 0 | 113 | K19 R20 Y25 D26 Q27 | K19-K23 WeakPolarHBondContact O-CB 3.4Å; K19-K23 PolarHBondContact O-N 3.04Å; R20-K23 PolarHBondContact O-N 3.32Å; K23-Y25 VanDerWaalsContact C-N 3.33Å; K23-D26 PolarHBondContact O-N 2.95Å; K23-Q27 HydrophobicContact CG-CG 4.43Å; K23-Q27 WeakPolarHBondContact O-CB 3.45Å; K23-Q27 VanDerWaalsContact O-CG 3.24Å; K23-Q27 WeakPolarHBondContact O-CG 3Å; K23-Q27 PolarHBondContact O-N 2.73Å |
| 24 | Y | 94.1 | Very high | 92.5 | Very high | 48 Ų | 48 | 68.1 Ų | 68.1 | 19% | 0.188 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -68.7 | -32.7 | 177.2 | -77.2 | -57.3 | 0 | 0 | 0 | 112.4 | R20 V21 V22 K28 Q29 N32 Y36 | R20-Y24 HydrophobicContact CB-CD2 4.23Å; R20-Y24 HydrophobicContact CB-CE2 4.04Å; R20-Y24 WeakPolarHBondContact O-CB 3.45Å; R20-Y24 WeakPolarHBondContact O-CD2 3.47Å; R20-Y24 PolarHBondContact O-N 3.45Å; V21-Y24 PolarHBondContact O-N 3.35Å; V22-Y24 VanDerWaalsContact C-N 3.3Å; V22-Y24 PolarHBondContact O-N 3.37Å; Y24-K28 PolarHBondContact O-N 2.73Å; Y24-Q29 HydrophobicContact CD1-CB 3.86Å; Y24-Q29 WeakPolarHBondContact O-CA 3.3Å; Y24-Q29 PolarHBondContact O-N 3.01Å; Y24-N32 HydrophobicContact CD1-CB 3.86Å; Y24-N32 HydrophobicContact CD2-CB 4.33Å; Y24-N32 HydrophobicContact CE1-CB 3.94Å; Y24-N32 HydrophobicContact CE2-CB 4.46Å; Y24-N32 HydrophobicContact CG-CB 4.05Å; Y24-Y36 AromaticContact CD2-CD2 3.74Å; Y24-Y36 HydrophobicContact CD2-CD2 3.74Å; Y24-Y36 HydrophobicContact CD2-CE2 4.06Å; Y24-Y36 AromaticContact CE2-CD2 3.34Å; Y24-Y36 HydrophobicContact CE2-CD2 3.34Å; Y24-Y36 AromaticContact CE2-CE2 3.2Å; Y24-Y36 HydrophobicContact CE2-CE2 3.2Å; Y24-Y36 HydrophobicContact CE2-CG 4.44Å; Y24-Y36 AromaticContact CZ-CE2 3.75Å |
| 25 | Y | 91.5 | Very high | 92.7 | Very high | 64 Ų | 64 | 73.6 Ų | 73.6 | 25% | 0.251 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -63.5 | -50.1 | 171 | 172.8 | -103 | 0 | 0 | 0 | 110.9 | V21 V22 K23 Q27 K28 Y30 M55 I58 L59 | V21-Y25 PolarHBondContact O-N 3.26Å; V22-Y25 WeakPolarHBondContact O-CA 3.33Å; V22-Y25 WeakPolarHBondContact O-CB 3.43Å; V22-Y25 PolarHBondContact O-N 3.05Å; K23-Y25 VanDerWaalsContact C-N 3.33Å; Y25-Q27 VanDerWaalsContact C-N 3.27Å; Y25-Q27 PolarHBondContact O-N 3.46Å; Y25-K28 WeakPolarHBondContact O-CA 3.47Å; Y25-K28 PolarHBondContact O-N 2.79Å; Y25-Y30 HydrophobicContact CD2-CD1 4.32Å; Y25-Y30 HydrophobicContact CD2-CE1 4.12Å; Y25-Y30 HydrophobicContact CE2-CE1 4.39Å; Y25-M55 HydrophobicContact CD1-CE 4.4Å; Y25-M55 HydrophobicContact CG-CE 4.06Å; Y25-I58 HydrophobicContact CD2-CG2 4.26Å; Y25-I58 HydrophobicContact CE1-CD1 4.44Å; Y25-I58 HydrophobicContact CE2-CD1 3.86Å; Y25-I58 HydrophobicContact CE2-CG1 3.82Å; Y25-I58 HydrophobicContact CE2-CG2 4.17Å; Y25-I58 VanDerWaalsContact OH-CD1 3.26Å; Y25-I58 WeakPolarHBondContact OH-CD1 3.46Å; Y25-L59 HydrophobicContact CD2-CD2 4.12Å |
| 26 | D | 89 | Confident | 92.9 | Very high | 113 Ų | 113 | 72.6 Ų | 72.6 | 60% | 0.604 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -61.7 | -34.7 | 178.7 | -61.6 | -23.7 | 0 | 0 | 0 | 112.5 | V22 K23 K28 | V22-D26 PolarHBondContact O-N 2.96Å; K23-D26 PolarHBondContact O-N 2.95Å; D26-K28 PolarHBondContact O-N 2.85Å |
| 27 | Q | 92 | Very high | 93 | Very high | 94 Ų | 94 | 70 Ų | 70 | 44% | 0.439 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | 7.6 | 175.5 | -68.8 | -178.4 | -19.5 | 0 | 0 | 113.8 | K23 Y25 Q29 | K23-Q27 HydrophobicContact CG-CG 4.43Å; K23-Q27 WeakPolarHBondContact O-CB 3.45Å; K23-Q27 VanDerWaalsContact O-CG 3.24Å; K23-Q27 WeakPolarHBondContact O-CG 3Å; K23-Q27 PolarHBondContact O-N 2.73Å; Y25-Q27 VanDerWaalsContact C-N 3.27Å; Y25-Q27 PolarHBondContact O-N 3.46Å; Q27-Q29 HydrophobicContact CB-CG 4.32Å; Q27-Q29 PolarHBondContact O-N 3.28Å; Q27-Q29 VanDerWaalsContact O-N 3.12Å |
| 28 | K | 91.4 | Very high | 93.1 | Very high | 120 Ų | 120 | 74.5 Ų | 74.5 | 52% | 0.522 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.7 | 21 | -176 | -56.8 | -171.6 | 174.1 | -170.1 | 0 | 114.9 | Y24 Y25 D26 Y30 | Y24-K28 PolarHBondContact O-N 2.73Å; Y25-K28 WeakPolarHBondContact O-CA 3.47Å; Y25-K28 PolarHBondContact O-N 2.79Å; D26-K28 PolarHBondContact O-N 2.85Å; K28-Y30 HydrophobicContact CB-CE1 4.33Å; K28-Y30 HydrophobicContact CB-CE2 4.48Å; K28-Y30 PolarHBondContact O-N 3.01Å |
| 29 | Q | 93 | Very high | 93.1 | Very high | 82 Ų | 82 | 78.2 Ų | 78.2 | 38% | 0.383 | 35% | 0.35 | S | S | . | . | trans | -93.2 | 65.1 | 178.6 | -65.1 | -171.2 | 18.1 | 0 | 0 | 111.9 | Y24 Q27 K31 N32 G33 | Y24-Q29 HydrophobicContact CD1-CB 3.86Å; Y24-Q29 WeakPolarHBondContact O-CA 3.3Å; Y24-Q29 PolarHBondContact O-N 3.01Å; Q27-Q29 HydrophobicContact CB-CG 4.32Å; Q27-Q29 PolarHBondContact O-N 3.28Å; Q27-Q29 VanDerWaalsContact O-N 3.12Å; Q29-K31 PolarHBondContact O-N 3.05Å; Q29-N32 HydrophobicContact CB-CB 4.4Å; Q29-N32 PolarHBondContact O-N 2.96Å; Q29-N32 PolarHBondContact OE1-ND2 3.45Å; Q29-N32 VanDerWaalsContact OE1-ND2 3.07Å; Q29-G33 PolarHBondContact O-N 3.49Å; Q29-G33 VanDerWaalsContact O-N 3.1Å | ||
| 30 | Y | 93.7 | Very high | 93 | Very high | 52 Ų | 52 | 71.7 Ų | 71.7 | 20% | 0.204 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -63.5 | -38.1 | -166.5 | -48.4 | -52.1 | 0 | 0 | 0 | 114.8 | Y25 K28 N32 G33 L34 L59 C62 | Y25-Y30 HydrophobicContact CD2-CD1 4.32Å; Y25-Y30 HydrophobicContact CD2-CE1 4.12Å; Y25-Y30 HydrophobicContact CE2-CE1 4.39Å; K28-Y30 HydrophobicContact CB-CE1 4.33Å; K28-Y30 HydrophobicContact CB-CE2 4.48Å; K28-Y30 PolarHBondContact O-N 3.01Å; Y30-N32 VanDerWaalsContact C-N 3.35Å; Y30-N32 PolarHBondContact O-N 3.25Å; Y30-G33 PolarHBondContact O-N 2.88Å; Y30-L34 WeakPolarHBondContact O-CB 3.4Å; Y30-L34 PolarHBondContact O-N 3.31Å; Y30-L59 HydrophobicContact CD1-CD2 3.92Å; Y30-L59 HydrophobicContact CG-CD2 4.49Å; Y30-C62 HydrophobicContact CD1-CB 3.83Å; Y30-C62 HydrophobicContact CD2-CB 3.67Å; Y30-C62 HydrophobicContact CE1-CB 3.79Å; Y30-C62 HydrophobicContact CE2-CB 3.64Å; Y30-C62 HydrophobicContact CG-CB 3.76Å |
| 31 | K | 94.1 | Very high | 92.9 | Very high | 147 Ų | 147 | 67 Ų | 67 | 64% | 0.639 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -62.2 | -41.1 | 178.4 | -67.7 | -178.8 | -178.4 | 173.2 | 0 | 112 | Q29 L34 K35 L63 | Q29-K31 PolarHBondContact O-N 3.05Å; K31-L34 PolarHBondContact O-N 3.03Å; K31-K35 PolarHBondContact O-N 2.83Å; K31-K35 VanDerWaalsContact O-N 3.12Å; K31-L63 HydrophobicContact CG-CD2 4.14Å |
| 32 | N | 93 | Very high | 92.9 | Very high | 72 Ų | 72 | 71.3 Ų | 71.3 | 39% | 0.385 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -68 | -47 | 177.1 | -71.9 | -23.8 | 0 | 0 | 0 | 110.5 | Y24 Q29 Y30 L34 K35 Y36 | Y24-N32 HydrophobicContact CD1-CB 3.86Å; Y24-N32 HydrophobicContact CD2-CB 4.33Å; Y24-N32 HydrophobicContact CE1-CB 3.94Å; Y24-N32 HydrophobicContact CE2-CB 4.46Å; Y24-N32 HydrophobicContact CG-CB 4.05Å; Q29-N32 HydrophobicContact CB-CB 4.4Å; Q29-N32 PolarHBondContact O-N 2.96Å; Q29-N32 PolarHBondContact OE1-ND2 3.45Å; Q29-N32 VanDerWaalsContact OE1-ND2 3.07Å; Y30-N32 VanDerWaalsContact C-N 3.35Å; Y30-N32 PolarHBondContact O-N 3.25Å; N32-L34 VanDerWaalsContact C-N 3.25Å; N32-L34 PolarHBondContact O-N 2.96Å; N32-K35 WeakPolarHBondContact O-CB 3.49Å; N32-K35 PolarHBondContact O-N 2.99Å; N32-K35 VanDerWaalsContact O-N 3.14Å; N32-Y36 WeakPolarHBondContact O-CD2 3.35Å; N32-Y36 PolarHBondContact O-N 3.27Å |
| 33 | G | 93.3 | Very high | 92.7 | Very high | 0 Ų | 0 | 71.4 Ų | 71.4 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -53.1 | -44.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q29 Y30 K35 Y36 A37 L59 | Q29-G33 PolarHBondContact O-N 3.49Å; Q29-G33 VanDerWaalsContact O-N 3.1Å; Y30-G33 PolarHBondContact O-N 2.88Å; G33-K35 PolarHBondContact O-N 2.99Å; G33-Y36 PolarHBondContact O-N 3.15Å; G33-A37 WeakPolarHBondContact O-CB 3.3Å; G33-A37 PolarHBondContact O-N 3.23Å; G33-L59 VanDerWaalsContact C-CD1 3.46Å |
| 34 | L | 94.4 | Very high | 92.4 | Very high | 20 Ų | 20 | 70.9 Ų | 70.9 | 11% | 0.105 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -65.5 | -37.8 | -179.5 | -175.3 | 63.7 | 0 | 0 | 0 | 112.4 | Y30 K31 N32 A37 K38 K56 L60 L63 | Y30-L34 WeakPolarHBondContact O-CB 3.4Å; Y30-L34 PolarHBondContact O-N 3.31Å; K31-L34 PolarHBondContact O-N 3.03Å; N32-L34 VanDerWaalsContact C-N 3.25Å; N32-L34 PolarHBondContact O-N 2.96Å; L34-A37 PolarHBondContact O-N 3.46Å; L34-K38 HydrophobicContact CG-CD 4.47Å; L34-K38 WeakPolarHBondContact O-CB 3.2Å; L34-K38 VanDerWaalsContact O-CG 3.31Å; L34-K38 WeakPolarHBondContact O-CG 3.44Å; L34-K38 PolarHBondContact O-N 3.44Å; L34-K56 HydrophobicContact CD1-CD 4.42Å; L34-K56 HydrophobicContact CD1-CG 3.77Å; L34-L60 HydrophobicContact CD1-CD2 4.18Å; L34-L60 HydrophobicContact CD1-CG 4.2Å; L34-L60 HydrophobicContact CD2-CD2 3.98Å; L34-L63 HydrophobicContact CD2-CD1 3.93Å |
| 35 | K | 94.7 | Very high | 92 | Very high | 147 Ų | 147 | 76.4 Ų | 76.4 | 64% | 0.639 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -60.6 | -47.5 | 175.4 | -176.5 | -179.1 | 178.1 | 179.9 | 0 | 111.2 | K31 N32 G33 K38 Q39 | K31-K35 PolarHBondContact O-N 2.83Å; K31-K35 VanDerWaalsContact O-N 3.12Å; N32-K35 WeakPolarHBondContact O-CB 3.49Å; N32-K35 PolarHBondContact O-N 2.99Å; N32-K35 VanDerWaalsContact O-N 3.14Å; G33-K35 PolarHBondContact O-N 2.99Å; K35-K38 PolarHBondContact O-N 2.74Å; K35-Q39 PolarHBondContact O-N 3.46Å |
| 36 | Y | 94.3 | Very high | 91.8 | Very high | 50 Ų | 50 | 74.5 Ų | 74.5 | 20% | 0.196 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -70.8 | -35 | 179.1 | -73.2 | -70.6 | 0 | 0 | 0 | 112.7 | I17 Y24 N32 G33 Q39 I40 | I17-Y36 HydrophobicContact CG2-CD1 3.86Å; I17-Y36 HydrophobicContact CG2-CG 4.27Å; Y24-Y36 AromaticContact CD2-CD2 3.74Å; Y24-Y36 HydrophobicContact CD2-CD2 3.74Å; Y24-Y36 HydrophobicContact CD2-CE2 4.06Å; Y24-Y36 AromaticContact CE2-CD2 3.34Å; Y24-Y36 HydrophobicContact CE2-CD2 3.34Å; Y24-Y36 AromaticContact CE2-CE2 3.2Å; Y24-Y36 HydrophobicContact CE2-CE2 3.2Å; Y24-Y36 HydrophobicContact CE2-CG 4.44Å; Y24-Y36 AromaticContact CZ-CE2 3.75Å; N32-Y36 WeakPolarHBondContact O-CD2 3.35Å; N32-Y36 PolarHBondContact O-N 3.27Å; G33-Y36 PolarHBondContact O-N 3.15Å; Y36-Q39 WeakPolarHBondContact O-CB 3.49Å; Y36-Q39 PolarHBondContact O-N 3.31Å; Y36-I40 PolarHBondContact O-N 3.43Å |
| 37 | A | 94.1 | Very high | 91.8 | Very high | 0 Ų | 0 | 71.4 Ų | 71.4 | 0% | 0 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -62 | -44.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | V21 G33 L34 Q39 I40 L41 T52 K56 | V21-A37 HydrophobicContact CG1-CB 4.14Å; V21-A37 HydrophobicContact CG2-CB 4.24Å; G33-A37 WeakPolarHBondContact O-CB 3.3Å; G33-A37 PolarHBondContact O-N 3.23Å; L34-A37 PolarHBondContact O-N 3.46Å; A37-Q39 VanDerWaalsContact C-N 3.3Å; A37-Q39 PolarHBondContact O-N 3.22Å; A37-I40 PolarHBondContact O-N 2.91Å; A37-L41 WeakPolarHBondContact O-CG 3.42Å; A37-L41 PolarHBondContact O-N 3.22Å; A37-L41 VanDerWaalsContact O-N 3.08Å; A37-T52 HydrophobicContact CB-CG2 4.18Å; A37-K56 HydrophobicContact CB-CB 4.25Å |
| 38 | K | 94.3 | Very high | 91.6 | Very high | 112 Ų | 112 | 71.5 Ų | 71.5 | 49% | 0.487 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -61 | -37 | 174.1 | -74.3 | 175.3 | -179.9 | -179.4 | 0 | 112.5 | L34 K35 I40 L41 S42 | L34-K38 HydrophobicContact CG-CD 4.47Å; L34-K38 WeakPolarHBondContact O-CB 3.2Å; L34-K38 VanDerWaalsContact O-CG 3.31Å; L34-K38 WeakPolarHBondContact O-CG 3.44Å; L34-K38 PolarHBondContact O-N 3.44Å; K35-K38 PolarHBondContact O-N 2.74Å; K38-I40 VanDerWaalsContact C-N 3.34Å; K38-I40 PolarHBondContact O-N 2.86Å; K38-L41 PolarHBondContact O-N 2.93Å; K38-S42 WeakPolarHBondContact O-CB 3.47Å; K38-S42 PolarHBondContact O-N 3.29Å; K38-S42 PolarHBondContact O-OG 2.99Å |
| 39 | Q | 93.6 | Very high | 91.7 | Very high | 93 Ų | 93 | 66 Ų | 66 | 44% | 0.435 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -60 | -43 | 176.8 | -176.3 | -178 | -3.7 | 0 | 0 | 111.9 | K35 Y36 A37 S42 | K35-Q39 PolarHBondContact O-N 3.46Å; Y36-Q39 WeakPolarHBondContact O-CB 3.49Å; Y36-Q39 PolarHBondContact O-N 3.31Å; A37-Q39 VanDerWaalsContact C-N 3.3Å; A37-Q39 PolarHBondContact O-N 3.22Å; Q39-S42 PolarHBondContact O-OG 3.46Å |
| 40 | I | 91.6 | Very high | 91.6 | Very high | 2 Ų | 2 | 62.3 Ų | 62.3 | 1% | 0.01 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -66.1 | -48.3 | 175.6 | -63.7 | 167.1 | 0 | 0 | 0 | 110.2 | L10 I17 F18 Y36 A37 K38 S42 N43 F46 T52 | L10-I40 HydrophobicContact CD1-CD1 4.41Å; L10-I40 HydrophobicContact CD1-CG2 4.46Å; L10-I40 HydrophobicContact CD2-CG2 3.97Å; I17-I40 HydrophobicContact CB-CD1 4.09Å; I17-I40 HydrophobicContact CB-CG1 4.13Å; I17-I40 HydrophobicContact CG2-CD1 3.81Å; I17-I40 HydrophobicContact CG2-CG1 3.78Å; F18-I40 HydrophobicContact CB-CD1 3.86Å; F18-I40 HydrophobicContact CD2-CD1 4.41Å; Y36-I40 PolarHBondContact O-N 3.43Å; A37-I40 PolarHBondContact O-N 2.91Å; K38-I40 VanDerWaalsContact C-N 3.34Å; K38-I40 PolarHBondContact O-N 2.86Å; I40-S42 VanDerWaalsContact C-N 3.27Å; I40-S42 PolarHBondContact O-N 3.31Å; I40-N43 WeakPolarHBondContact O-CB 3.49Å; I40-N43 PolarHBondContact O-N 3.26Å; I40-F46 HydrophobicContact CG2-CB 4.14Å; I40-T52 HydrophobicContact CB-CG2 3.92Å; I40-T52 HydrophobicContact CD1-CG2 4.16Å; I40-T52 HydrophobicContact CG2-CG2 3.99Å |
| 41 | L | 92.2 | Very high | 91.6 | Very high | 21 Ų | 21 | 61.8 Ų | 61.8 | 11% | 0.11 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -69.8 | -19.7 | -176.5 | -62.1 | 171.3 | 0 | 0 | 0 | 113.8 | A37 K38 N43 S47 T52 L53 K56 | A37-L41 WeakPolarHBondContact O-CG 3.42Å; A37-L41 PolarHBondContact O-N 3.22Å; A37-L41 VanDerWaalsContact O-N 3.08Å; K38-L41 PolarHBondContact O-N 2.93Å; L41-N43 PolarHBondContact O-N 3.03Å; L41-S47 WeakPolarHBondContact CD2-O 3.12Å; L41-S47 WeakPolarHBondContact O-CA 3.5Å; L41-T52 HydrophobicContact CD1-CG2 4.1Å; L41-T52 HydrophobicContact CD2-CG2 3.81Å; L41-T52 HydrophobicContact CG-CG2 3.65Å; L41-L53 HydrophobicContact CD1-CD2 3.94Å; L41-L53 HydrophobicContact CD2-CD2 3.76Å; L41-L53 HydrophobicContact CD2-CG 3.89Å; L41-L53 HydrophobicContact CG-CD2 4.5Å; L41-K56 HydrophobicContact CD1-CB 4.26Å; L41-K56 HydrophobicContact CD1-CD 3.52Å |
| 42 | S | 92 | Very high | 91.6 | Very high | 90 Ų | 90 | 54.8 Ų | 54.8 | 63% | 0.629 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.7 | -19.2 | 175 | 67.5 | 0 | 0 | 0 | 0 | 113.4 | K38 Q39 I40 P44 | K38-S42 WeakPolarHBondContact O-CB 3.47Å; K38-S42 PolarHBondContact O-N 3.29Å; K38-S42 PolarHBondContact O-OG 2.99Å; Q39-S42 PolarHBondContact O-OG 3.46Å; I40-S42 VanDerWaalsContact C-N 3.27Å; I40-S42 PolarHBondContact O-N 3.31Å; S42-P44 WeakPolarHBondContact O-CD 3.37Å |
| 43 | N | 88.8 | Confident | 91.7 | Very high | 49 Ų | 49 | 51.5 Ų | 51.5 | 26% | 0.262 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -78.5 | 118.4 | 173.3 | -173.6 | -21.6 | 0 | 0 | 0 | 108.6 | I40 L41 K45 F46 S47 | I40-N43 WeakPolarHBondContact O-CB 3.49Å; I40-N43 PolarHBondContact O-N 3.26Å; L41-N43 PolarHBondContact O-N 3.03Å; N43-K45 PolarHBondContact O-N 2.97Å; N43-K45 PolarHBondContact OD1-N 3.42Å; N43-K45 VanDerWaalsContact OD1-N 3.15Å; N43-F46 HydrophobicContact CB-CD2 3.97Å; N43-F46 WeakPolarHBondContact ND2-CE2 3.41Å; N43-F46 CarbonylContact O-C 3.6Å; N43-F46 PolarHBondContact O-N 3.32Å; N43-S47 PolarHBondContact O-N 3.42Å |
| 44 | P | 85.9 | Confident | 91.8 | Very high | 112 Ų | 112 | 51.5 Ų | 51.5 | 73% | 0.727 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | -23.6 | -178.4 | -26.3 | 35 | 0 | 0 | 0 | 114.3 | S42 F46 S47 | S42-P44 WeakPolarHBondContact O-CD 3.37Å; P44-F46 VanDerWaalsContact C-N 3.3Å; P44-F46 PolarHBondContact O-N 3Å; P44-S47 PolarHBondContact O-OG 3.19Å |
| 45 | K | 84.8 | Confident | 91.8 | Very high | 165 Ų | 165 | 51 Ų | 51 | 72% | 0.717 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.6 | -23.8 | 176.3 | -64.9 | -175.8 | 178.3 | -178.4 | 0 | 113.6 | N43 | N43-K45 PolarHBondContact O-N 2.97Å; N43-K45 PolarHBondContact OD1-N 3.42Å; N43-K45 VanDerWaalsContact OD1-N 3.15Å |
| 46 | F | 88 | Confident | 91.8 | Very high | 24 Ų | 24 | 45.1 Ų | 45.1 | 11% | 0.105 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -126 | 14.3 | -174.7 | -49 | -58 | 0 | 0 | 0 | 112.2 | L10 P11 E14 I40 N43 P44 E48 H49 | L10-F46 HydrophobicContact CD2-CB 4.14Å; L10-F46 HydrophobicContact CD2-CD1 3.87Å; L10-F46 HydrophobicContact CD2-CD2 4.47Å; L10-F46 HydrophobicContact CD2-CE1 4.46Å; L10-F46 HydrophobicContact CD2-CG 3.9Å; P11-F46 HydrophobicContact CG-CE1 4.15Å; P11-F46 HydrophobicContact CG-CE2 3.93Å; P11-F46 HydrophobicContact CG-CZ 3.35Å; E14-F46 HydrophobicContact CG-CD2 3.96Å; E14-F46 HydrophobicContact CG-CE2 3.9Å; I40-F46 HydrophobicContact CG2-CB 4.14Å; N43-F46 HydrophobicContact CB-CD2 3.97Å; N43-F46 WeakPolarHBondContact ND2-CE2 3.41Å; N43-F46 CarbonylContact O-C 3.6Å; N43-F46 PolarHBondContact O-N 3.32Å; P44-F46 VanDerWaalsContact C-N 3.3Å; P44-F46 PolarHBondContact O-N 3Å; F46-E48 PolarHBondContact O-N 3.29Å; F46-H49 HydrophobicContact CB-CB 4.29Å; F46-H49 VanDerWaalsContact O-CB 3.29Å; F46-H49 WeakPolarHBondContact O-CB 3.35Å; F46-H49 PolarHBondContact O-N 3.45Å |
| 47 | S | 88.2 | Confident | 91.8 | Very high | 47 Ų | 47 | 42.7 Ų | 42.7 | 33% | 0.329 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -27.7 | -178.6 | 59.6 | 0 | 0 | 0 | 0 | 112.9 | L41 N43 P44 | L41-S47 WeakPolarHBondContact CD2-O 3.12Å; L41-S47 WeakPolarHBondContact O-CA 3.5Å; N43-S47 PolarHBondContact O-N 3.42Å; P44-S47 PolarHBondContact O-OG 3.19Å |
| 48 | E | 89.1 | Confident | 91.8 | Very high | 97 Ų | 97 | 43 Ų | 43 | 45% | 0.453 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -109.4 | 29.7 | 175.1 | -65.6 | -63.9 | 143 | 0 | 0 | 111.7 | F46 G50 R75 A79 | F46-E48 PolarHBondContact O-N 3.29Å; E48-G50 PolarHBondContact O-N 3.32Å; E48-G50 VanDerWaalsContact O-N 3.09Å; E48-R75 IonicContact OE1-NH2 2.76Å; E48-R75 PolarHBondContact OE1-NH2 3.16Å; E48-A79 WeakPolarHBondContact O-CB 3.37Å |
| 49 | H | 92 | Very high | 91.9 | Very high | 5 Ų | 5 | 37.6 Ų | 37.6 | 2% | 0.023 | 20% | 0.201 | C | C | . | . | trans | -68.6 | 107.7 | 172.7 | -176.5 | -105.9 | 0 | 0 | 0 | 110.4 | Y8 L10 F46 E51 T52 L53 | Y8-H49 PolarHBondContact O-NE2 3.31Å; L10-H49 HydrophobicContact CD2-CB 4.4Å; F46-H49 HydrophobicContact CB-CB 4.29Å; F46-H49 VanDerWaalsContact O-CB 3.29Å; F46-H49 WeakPolarHBondContact O-CB 3.35Å; F46-H49 PolarHBondContact O-N 3.45Å; H49-E51 IonicContact CE1-OE2 2.82Å; H49-E51 PolarHBondContact O-N 3Å; H49-T52 PolarHBondContact ND1-N 3.13Å; H49-T52 PolarHBondContact ND1-OG1 3.41Å; H49-T52 PolarHBondContact O-N 3.26Å; H49-T52 VanDerWaalsContact O-N 3.13Å; H49-L53 PolarHBondContact O-N 3.09Å | ||
| 50 | G | 91.5 | Very high | 91.9 | Very high | 3 Ų | 3 | 33.5 Ų | 33.5 | 3% | 0.031 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -52.6 | -47.5 | -170.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | E48 T52 L53 A54 G76 C86 | E48-G50 PolarHBondContact O-N 3.32Å; E48-G50 VanDerWaalsContact O-N 3.09Å; G50-T52 PolarHBondContact O-N 3.16Å; G50-L53 PolarHBondContact O-N 2.72Å; G50-A54 PolarHBondContact O-N 3.13Å; G50-G76 WeakPolarHBondContact CA-O 3.38Å; G50-G76 WeakPolarHBondContact O-CA 3.26Å; G50-C86 VanDerWaalsContact C-SG 3.52Å |
| 51 | E | 93.6 | Very high | 92 | Very high | 42 Ų | 42 | 34.5 Ų | 34.5 | 20% | 0.196 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -68.4 | -36 | -177.5 | -48.9 | -175.3 | 157.9 | 0 | 0 | 112 | F18 H49 A54 M55 S83 V85 | F18-E51 HydrophobicContact CE2-CB 3.89Å; F18-E51 HydrophobicContact CZ-CB 3.65Å; H49-E51 IonicContact CE1-OE2 2.82Å; H49-E51 PolarHBondContact O-N 3Å; E51-A54 PolarHBondContact O-N 3.17Å; E51-M55 WeakPolarHBondContact O-CB 3.42Å; E51-M55 VanDerWaalsContact O-CG 3.31Å; E51-M55 WeakPolarHBondContact O-CG 3.47Å; E51-M55 PolarHBondContact O-N 3.23Å; E51-S83 WeakPolarHBondContact CG-OG 3.47Å; E51-S83 PolarHBondContact OE1-OG 2.93Å; E51-V85 HydrophobicContact CB-CG1 4.43Å; E51-V85 HydrophobicContact CG-CB 4.43Å |
| 52 | T | 94.2 | Very high | 91.9 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -71.1 | -37.5 | 176.9 | -56.4 | 0 | 0 | 0 | 0 | 111.1 | A37 I40 L41 H49 G50 M55 K56 | A37-T52 HydrophobicContact CB-CG2 4.18Å; I40-T52 HydrophobicContact CB-CG2 3.92Å; I40-T52 HydrophobicContact CD1-CG2 4.16Å; I40-T52 HydrophobicContact CG2-CG2 3.99Å; L41-T52 HydrophobicContact CD1-CG2 4.1Å; L41-T52 HydrophobicContact CD2-CG2 3.81Å; L41-T52 HydrophobicContact CG-CG2 3.65Å; H49-T52 PolarHBondContact ND1-N 3.13Å; H49-T52 PolarHBondContact ND1-OG1 3.41Å; H49-T52 PolarHBondContact O-N 3.26Å; H49-T52 VanDerWaalsContact O-N 3.13Å; G50-T52 PolarHBondContact O-N 3.16Å; T52-M55 PolarHBondContact O-N 3.47Å; T52-K56 WeakPolarHBondContact O-CB 3.45Å; T52-K56 PolarHBondContact O-N 2.97Å |
| 53 | L | 95.3 | Very high | 91.9 | Very high | 3 Ų | 3 | 34.4 Ų | 34.4 | 2% | 0.016 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -62.6 | -44.8 | 173.3 | -73 | 172.9 | 0 | 0 | 0 | 111.2 | L41 H49 G50 K56 G57 Y72 A79 | L41-L53 HydrophobicContact CD1-CD2 3.94Å; L41-L53 HydrophobicContact CD2-CD2 3.76Å; L41-L53 HydrophobicContact CD2-CG 3.89Å; L41-L53 HydrophobicContact CG-CD2 4.5Å; H49-L53 PolarHBondContact O-N 3.09Å; G50-L53 PolarHBondContact O-N 2.72Å; L53-K56 WeakPolarHBondContact O-CB 3.42Å; L53-K56 PolarHBondContact O-N 2.82Å; L53-G57 PolarHBondContact O-N 3.16Å; L53-Y72 HydrophobicContact CD2-CD1 3.96Å; L53-Y72 HydrophobicContact CD2-CE1 4.37Å; L53-A79 HydrophobicContact CD1-CB 4.42Å |
| 54 | A | 94.7 | Very high | 91.8 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -62.6 | -47.6 | 176 | 0 | 0 | 0 | 0 | 0 | 111.4 | G50 E51 K56 G57 I58 I89 | G50-A54 PolarHBondContact O-N 3.13Å; E51-A54 PolarHBondContact O-N 3.17Å; A54-K56 VanDerWaalsContact C-N 3.3Å; A54-K56 PolarHBondContact O-N 3.4Å; A54-G57 WeakPolarHBondContact O-CA 3.22Å; A54-G57 PolarHBondContact O-N 3.28Å; A54-I58 PolarHBondContact O-N 3.3Å; A54-I89 HydrophobicContact CB-CB 4.14Å; A54-I89 HydrophobicContact CB-CD1 3.69Å; A54-I89 HydrophobicContact CB-CG2 4.04Å; A54-I89 WeakPolarHBondContact O-CG2 3.31Å |
| 55 | M | 94.5 | Very high | 92.1 | Very high | 8 Ų | 8 | 33.9 Ų | 33.9 | 4% | 0.039 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -59.4 | -39 | 175.2 | -76.5 | -58 | -58.7 | 0 | 0 | 112.3 | F18 V21 V22 Y25 E51 T52 G57 I58 L59 I89 | F18-M55 HydrophobicContact CE2-CB 4.35Å; F18-M55 HydrophobicContact CE2-CG 3.7Å; F18-M55 HydrophobicContact CZ-CG 3.92Å; V21-M55 HydrophobicContact CG1-CB 3.99Å; V21-M55 HydrophobicContact CG1-CE 4.08Å; V22-M55 HydrophobicContact CG2-CE 4.12Å; V22-M55 HydrophobicContact CG2-SD 4.3Å; Y25-M55 HydrophobicContact CD1-CE 4.4Å; Y25-M55 HydrophobicContact CG-CE 4.06Å; E51-M55 WeakPolarHBondContact O-CB 3.42Å; E51-M55 VanDerWaalsContact O-CG 3.31Å; E51-M55 WeakPolarHBondContact O-CG 3.47Å; E51-M55 PolarHBondContact O-N 3.23Å; T52-M55 PolarHBondContact O-N 3.47Å; M55-G57 VanDerWaalsContact C-N 3.32Å; M55-I58 HydrophobicContact CE-CG2 4.36Å; M55-I58 VanDerWaalsContact O-CG2 3.29Å; M55-I58 WeakPolarHBondContact O-CG2 3.39Å; M55-I58 HydrophobicContact SD-CG2 4.31Å; M55-L59 WeakPolarHBondContact O-CB 3.48Å; M55-L59 VanDerWaalsContact O-CD1 3.28Å; M55-L59 WeakPolarHBondContact O-CD1 3.11Å; M55-L59 WeakPolarHBondContact O-CG 3.49Å; M55-L59 PolarHBondContact O-N 3.17Å; M55-L59 VanDerWaalsContact O-N 3.09Å; M55-I89 HydrophobicContact CG-CD1 3.99Å; M55-I89 HydrophobicContact SD-CD1 3.51Å; M55-I89 VanDerWaalsContact SD-CD1 3.51Å |
| 56 | K | 95.7 | Very high | 92.2 | Very high | 24 Ų | 24 | 30 Ų | 30 | 10% | 0.104 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -62 | -42.2 | 172.4 | 174.4 | 173.3 | 173.8 | -169.1 | 0 | 111.2 | L34 A37 L41 T52 L53 A54 L59 L60 Y72 | L34-K56 HydrophobicContact CD1-CD 4.42Å; L34-K56 HydrophobicContact CD1-CG 3.77Å; A37-K56 HydrophobicContact CB-CB 4.25Å; L41-K56 HydrophobicContact CD1-CB 4.26Å; L41-K56 HydrophobicContact CD1-CD 3.52Å; T52-K56 WeakPolarHBondContact O-CB 3.45Å; T52-K56 PolarHBondContact O-N 2.97Å; L53-K56 WeakPolarHBondContact O-CB 3.42Å; L53-K56 PolarHBondContact O-N 2.82Å; A54-K56 VanDerWaalsContact C-N 3.3Å; A54-K56 PolarHBondContact O-N 3.4Å; K56-L59 PolarHBondContact O-N 3.18Å; K56-L60 HydrophobicContact CG-CD1 3.97Å; K56-L60 HydrophobicContact CG-CG 4.46Å; K56-L60 VanDerWaalsContact O-CG 3.25Å; K56-L60 WeakPolarHBondContact O-CG 3.45Å; K56-L60 PolarHBondContact O-N 3.46Å; K56-Y72 HydrophobicContact CD-CD1 4.09Å; K56-Y72 HydrophobicContact CD-CE1 3.99Å; K56-Y72 HydrophobicContact CD-CG 4.45Å; K56-Y72 VanDerWaalsContact CE-CZ 3.42Å; K56-Y72 HydrophobicContact CG-CG 4.47Å; K56-Y72 PolarHBondContact NZ-OH 2.8Å |
| 57 | G | 94.6 | Very high | 92.3 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -59.7 | -50.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | L53 A54 M55 L59 L60 N61 A69 | L53-G57 PolarHBondContact O-N 3.16Å; A54-G57 WeakPolarHBondContact O-CA 3.22Å; A54-G57 PolarHBondContact O-N 3.28Å; M55-G57 VanDerWaalsContact C-N 3.32Å; G57-L59 VanDerWaalsContact C-N 3.34Å; G57-L59 PolarHBondContact O-N 3.45Å; G57-L60 WeakPolarHBondContact O-CB 3.35Å; G57-L60 PolarHBondContact O-N 2.98Å; G57-L60 VanDerWaalsContact O-N 3.16Å; G57-N61 PolarHBondContact O-N 3.01Å; G57-A69 WeakPolarHBondContact O-CB 3.47Å |
| 58 | I | 93.9 | Very high | 92.5 | Very high | 5 Ų | 5 | 35.7 Ų | 35.7 | 3% | 0.026 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -65.1 | -37.1 | 178.6 | -163 | 166 | 0 | 0 | 0 | 112.7 | Y25 A54 M55 L60 N61 C62 I89 L92 | Y25-I58 HydrophobicContact CD2-CG2 4.26Å; Y25-I58 HydrophobicContact CE1-CD1 4.44Å; Y25-I58 HydrophobicContact CE2-CD1 3.86Å; Y25-I58 HydrophobicContact CE2-CG1 3.82Å; Y25-I58 HydrophobicContact CE2-CG2 4.17Å; Y25-I58 VanDerWaalsContact OH-CD1 3.26Å; Y25-I58 WeakPolarHBondContact OH-CD1 3.46Å; A54-I58 PolarHBondContact O-N 3.3Å; M55-I58 HydrophobicContact CE-CG2 4.36Å; M55-I58 VanDerWaalsContact O-CG2 3.29Å; M55-I58 WeakPolarHBondContact O-CG2 3.39Å; M55-I58 HydrophobicContact SD-CG2 4.31Å; I58-L60 VanDerWaalsContact C-N 3.31Å; I58-L60 PolarHBondContact O-N 3.08Å; I58-N61 WeakPolarHBondContact O-CB 3.31Å; I58-N61 PolarHBondContact O-N 3.22Å; I58-N61 VanDerWaalsContact O-N 3.17Å; I58-C62 PolarHBondContact O-N 3.27Å; I58-C62 PolarHBondContact O-SG 3.36Å; I58-C62 VanDerWaalsContact O-SG 3.34Å; I58-I89 HydrophobicContact CB-CG2 3.89Å; I58-I89 HydrophobicContact CD1-CG2 4.41Å; I58-I89 HydrophobicContact CG2-CG2 4.37Å; I58-L92 HydrophobicContact CD1-CB 3.88Å; I58-L92 HydrophobicContact CD1-CD1 3.52Å; I58-L92 HydrophobicContact CD1-CG 4.33Å |
| 59 | L | 95 | Very high | 92.7 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -63.4 | -36.9 | 173.9 | -71.5 | 166.1 | 0 | 0 | 0 | 112.3 | V21 Y25 Y30 G33 M55 K56 G57 L63 | V21-L59 HydrophobicContact CG1-CD1 3.78Å; Y25-L59 HydrophobicContact CD2-CD2 4.12Å; Y30-L59 HydrophobicContact CD1-CD2 3.92Å; Y30-L59 HydrophobicContact CG-CD2 4.49Å; G33-L59 VanDerWaalsContact C-CD1 3.46Å; M55-L59 WeakPolarHBondContact O-CB 3.48Å; M55-L59 VanDerWaalsContact O-CD1 3.28Å; M55-L59 WeakPolarHBondContact O-CD1 3.11Å; M55-L59 WeakPolarHBondContact O-CG 3.49Å; M55-L59 PolarHBondContact O-N 3.17Å; M55-L59 VanDerWaalsContact O-N 3.09Å; K56-L59 PolarHBondContact O-N 3.18Å; G57-L59 VanDerWaalsContact C-N 3.34Å; G57-L59 PolarHBondContact O-N 3.45Å; L59-L63 WeakPolarHBondContact O-CD1 3.33Å; L59-L63 VanDerWaalsContact O-CG 3.25Å; L59-L63 WeakPolarHBondContact O-CG 3.29Å; L59-L63 PolarHBondContact O-N 3.28Å |
| 60 | L | 94.5 | Very high | 92.7 | Very high | 6 Ų | 6 | 35.4 Ų | 35.4 | 3% | 0.031 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -68.8 | -37 | 173.7 | -72.3 | 168.5 | 0 | 0 | 0 | 111.5 | L34 K56 G57 I58 L63 G64 K65 E68 A69 Y72 | L34-L60 HydrophobicContact CD1-CD2 4.18Å; L34-L60 HydrophobicContact CD1-CG 4.2Å; L34-L60 HydrophobicContact CD2-CD2 3.98Å; K56-L60 HydrophobicContact CG-CD1 3.97Å; K56-L60 HydrophobicContact CG-CG 4.46Å; K56-L60 VanDerWaalsContact O-CG 3.25Å; K56-L60 WeakPolarHBondContact O-CG 3.45Å; K56-L60 PolarHBondContact O-N 3.46Å; G57-L60 WeakPolarHBondContact O-CB 3.35Å; G57-L60 PolarHBondContact O-N 2.98Å; G57-L60 VanDerWaalsContact O-N 3.16Å; I58-L60 VanDerWaalsContact C-N 3.31Å; I58-L60 PolarHBondContact O-N 3.08Å; L60-L63 CarbonylContact O-C 3.2Å; L60-L63 WeakPolarHBondContact O-CA 3.48Å; L60-L63 PolarHBondContact O-N 2.87Å; L60-L63 VanDerWaalsContact O-N 3.08Å; L60-G64 PolarHBondContact O-N 3.44Å; L60-K65 HydrophobicContact CB-CB 4.24Å; L60-K65 HydrophobicContact CD2-CB 4.5Å; L60-K65 HydrophobicContact CD2-CD 3.68Å; L60-K65 PolarHBondContact O-N 3.28Å; L60-E68 HydrophobicContact CD1-CB 4.24Å; L60-A69 HydrophobicContact CB-CB 4.25Å; L60-Y72 HydrophobicContact CD1-CD2 3.45Å; L60-Y72 VanDerWaalsContact CD1-CD2 3.45Å; L60-Y72 HydrophobicContact CD1-CE2 3.73Å; L60-Y72 HydrophobicContact CD1-CG 4.39Å |
| 61 | N | 92.6 | Very high | 92.8 | Very high | 24 Ų | 24 | 40.3 Ų | 40.3 | 13% | 0.128 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -60.8 | -48.2 | 175.6 | -162.6 | 52.7 | 0 | 0 | 0 | 111.3 | G57 I58 L63 G64 A69 I93 S96 | G57-N61 PolarHBondContact O-N 3.01Å; I58-N61 WeakPolarHBondContact O-CB 3.31Å; I58-N61 PolarHBondContact O-N 3.22Å; I58-N61 VanDerWaalsContact O-N 3.17Å; N61-L63 PolarHBondContact O-N 3.45Å; N61-L63 VanDerWaalsContact O-N 3.14Å; N61-G64 PolarHBondContact O-N 3.13Å; N61-A69 HydrophobicContact CB-CB 3.77Å; N61-I93 HydrophobicContact CB-CD1 3.59Å; N61-S96 WeakPolarHBondContact ND2-CB 3.39Å; N61-S96 PolarHBondContact ND2-OG 3.14Å |
| 62 | C | 90.6 | Very high | 92.8 | Very high | 47 Ų | 47 | 40.5 Ų | 40.5 | 32% | 0.318 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -15.7 | 174.7 | -62 | 0 | 0 | 0 | 0 | 113.7 | Y30 I58 | Y30-C62 HydrophobicContact CD1-CB 3.83Å; Y30-C62 HydrophobicContact CD2-CB 3.67Å; Y30-C62 HydrophobicContact CE1-CB 3.79Å; Y30-C62 HydrophobicContact CE2-CB 3.64Å; Y30-C62 HydrophobicContact CG-CB 3.76Å; I58-C62 PolarHBondContact O-N 3.27Å; I58-C62 PolarHBondContact O-SG 3.36Å; I58-C62 VanDerWaalsContact O-SG 3.34Å |
| 63 | L | 91.2 | Very high | 92.8 | Very high | 62 Ų | 62 | 40.5 Ų | 40.5 | 33% | 0.325 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.9 | 8.2 | 173.1 | -68.3 | 171.1 | 0 | 0 | 0 | 112.8 | K31 L34 L59 L60 N61 | K31-L63 HydrophobicContact CG-CD2 4.14Å; L34-L63 HydrophobicContact CD2-CD1 3.93Å; L59-L63 WeakPolarHBondContact O-CD1 3.33Å; L59-L63 VanDerWaalsContact O-CG 3.25Å; L59-L63 WeakPolarHBondContact O-CG 3.29Å; L59-L63 PolarHBondContact O-N 3.28Å; L60-L63 CarbonylContact O-C 3.2Å; L60-L63 WeakPolarHBondContact O-CA 3.48Å; L60-L63 PolarHBondContact O-N 2.87Å; L60-L63 VanDerWaalsContact O-N 3.08Å; N61-L63 PolarHBondContact O-N 3.45Å; N61-L63 VanDerWaalsContact O-N 3.14Å |
| 64 | G | 87.3 | Confident | 92.8 | Very high | 52 Ų | 52 | 45.5 Ų | 45.5 | 54% | 0.536 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 84.2 | 2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | L60 N61 K66 | L60-G64 PolarHBondContact O-N 3.44Å; N61-G64 PolarHBondContact O-N 3.13Å; G64-K66 PolarHBondContact O-N 3.09Å |
| 65 | K | 91.8 | Very high | 92.7 | Very high | 97 Ų | 97 | 49.3 Ų | 49.3 | 42% | 0.422 | 24% | 0.242 | S | C | . | . | trans | -90.7 | 68.1 | -179.1 | -68.6 | 172.8 | 159.2 | -117.2 | 0 | 111.5 | L60 D67 E68 A69 | L60-K65 HydrophobicContact CB-CB 4.24Å; L60-K65 HydrophobicContact CD2-CB 4.5Å; L60-K65 HydrophobicContact CD2-CD 3.68Å; L60-K65 PolarHBondContact O-N 3.28Å; K65-D67 PolarHBondContact O-N 2.93Å; K65-E68 HydrophobicContact CB-CB 4.36Å; K65-E68 IonicContact NZ-OE1 3.91Å; K65-E68 PolarHBondContact NZ-OE1 3.04Å; K65-E68 IonicContact NZ-OE2 2.61Å; K65-E68 PolarHBondContact NZ-OE2 3.25Å; K65-A69 VanDerWaalsContact O-CB 3.29Å; K65-A69 WeakPolarHBondContact O-CB 3.34Å; K65-A69 PolarHBondContact O-N 3.3Å | ||
| 66 | K | 88.5 | Confident | 92.7 | Very high | 83 Ų | 83 | 49 Ų | 49 | 36% | 0.361 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -61.2 | -43.7 | -173.3 | -62.7 | -166.2 | 176.4 | -166.9 | 0 | 113.6 | G64 A69 R70 | G64-K66 PolarHBondContact O-N 3.09Å; K66-A69 WeakPolarHBondContact O-CB 3.47Å; K66-A69 PolarHBondContact O-N 2.98Å; K66-R70 WeakPolarHBondContact O-CG 3.43Å; K66-R70 PolarHBondContact O-N 3.29Å |
| 67 | D | 89.7 | Confident | 92.5 | Very high | 115 Ų | 115 | 48.7 Ų | 48.7 | 62% | 0.615 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -64.7 | -49.2 | -178.1 | -64.4 | -20.9 | 0 | 0 | 0 | 112.6 | K65 A69 R70 E71 | K65-D67 PolarHBondContact O-N 2.93Å; D67-A69 VanDerWaalsContact C-N 3.29Å; D67-A69 PolarHBondContact O-N 3.41Å; D67-R70 PolarHBondContact O-N 3.04Å; D67-R70 IonicContact OD1-CZ 2.78Å; D67-R70 IonicContact OD1-NE 3.47Å; D67-R70 IonicContact OD1-NH2 3.34Å; D67-R70 PolarHBondContact OD1-NH2 3.47Å; D67-E71 PolarHBondContact O-N 2.86Å; D67-E71 VanDerWaalsContact O-N 3.16Å |
| 68 | E | 92.3 | Very high | 92.4 | Very high | 76 Ų | 76 | 57.5 Ų | 57.5 | 36% | 0.355 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -59.4 | -42.6 | 174.3 | -66.8 | -177.6 | -137.9 | 0 | 0 | 110.5 | L60 K65 R70 E71 Y72 | L60-E68 HydrophobicContact CD1-CB 4.24Å; K65-E68 HydrophobicContact CB-CB 4.36Å; K65-E68 IonicContact NZ-OE1 3.91Å; K65-E68 PolarHBondContact NZ-OE1 3.04Å; K65-E68 IonicContact NZ-OE2 2.61Å; K65-E68 PolarHBondContact NZ-OE2 3.25Å; E68-R70 PolarHBondContact O-N 3.28Å; E68-E71 PolarHBondContact O-N 3.49Å; E68-Y72 HydrophobicContact CB-CD2 4.48Å; E68-Y72 WeakPolarHBondContact O-CD2 3.33Å; E68-Y72 PolarHBondContact O-N 2.96Å |
| 69 | A | 92.5 | Very high | 92.3 | Very high | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -57.2 | -47.7 | 178 | 0 | 0 | 0 | 0 | 0 | 111.7 | G57 L60 N61 K65 K66 D67 E71 Y72 V73 I93 | G57-A69 WeakPolarHBondContact O-CB 3.47Å; L60-A69 HydrophobicContact CB-CB 4.25Å; N61-A69 HydrophobicContact CB-CB 3.77Å; K65-A69 VanDerWaalsContact O-CB 3.29Å; K65-A69 WeakPolarHBondContact O-CB 3.34Å; K65-A69 PolarHBondContact O-N 3.3Å; K66-A69 WeakPolarHBondContact O-CB 3.47Å; K66-A69 PolarHBondContact O-N 2.98Å; D67-A69 VanDerWaalsContact C-N 3.29Å; D67-A69 PolarHBondContact O-N 3.41Å; A69-E71 VanDerWaalsContact C-N 3.31Å; A69-E71 PolarHBondContact O-N 2.95Å; A69-Y72 PolarHBondContact O-N 3.29Å; A69-V73 WeakPolarHBondContact O-CG2 3.24Å; A69-V73 PolarHBondContact O-N 2.8Å; A69-I93 HydrophobicContact CB-CD1 4.32Å |
| 70 | R | 92.5 | Very high | 92 | Very high | 97 Ų | 97 | 59.2 Ų | 59.2 | 37% | 0.366 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -59.9 | -40 | 178.1 | -70.2 | -175.8 | -64.9 | 170.5 | -1.5 | 112.1 | K66 D67 E68 K74 I93 | K66-R70 WeakPolarHBondContact O-CG 3.43Å; K66-R70 PolarHBondContact O-N 3.29Å; D67-R70 PolarHBondContact O-N 3.04Å; D67-R70 IonicContact OD1-CZ 2.78Å; D67-R70 IonicContact OD1-NE 3.47Å; D67-R70 IonicContact OD1-NH2 3.34Å; D67-R70 PolarHBondContact OD1-NH2 3.47Å; E68-R70 PolarHBondContact O-N 3.28Å; R70-K74 WeakPolarHBondContact O-CB 3.35Å; R70-K74 VanDerWaalsContact O-CG 3.26Å; R70-K74 WeakPolarHBondContact O-CG 3.48Å; R70-K74 PolarHBondContact O-N 2.89Å; R70-K74 VanDerWaalsContact O-N 3.12Å; R70-I93 HydrophobicContact CG-CG2 3.96Å |
| 71 | E | 93.6 | Very high | 91.9 | Very high | 106 Ų | 106 | 64 Ų | 64 | 50% | 0.495 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -65 | -50.1 | 176.7 | -164.4 | -159.8 | 138 | 0 | 0 | 111.6 | D67 E68 A69 V73 K74 R75 | D67-E71 PolarHBondContact O-N 2.86Å; D67-E71 VanDerWaalsContact O-N 3.16Å; E68-E71 PolarHBondContact O-N 3.49Å; A69-E71 VanDerWaalsContact C-N 3.31Å; A69-E71 PolarHBondContact O-N 2.95Å; E71-V73 PolarHBondContact O-N 3.02Å; E71-K74 PolarHBondContact O-N 3.46Å; E71-R75 WeakPolarHBondContact O-CB 3.44Å; E71-R75 VanDerWaalsContact O-CG 3.29Å; E71-R75 WeakPolarHBondContact O-CG 3.47Å; E71-R75 PolarHBondContact O-N 3.31Å; E71-R75 IonicContact OE1-NH1 2.55Å; E71-R75 PolarHBondContact OE1-NH1 3.44Å |
| 72 | Y | 94.8 | Very high | 91.8 | Very high | 45 Ų | 45 | 67.4 Ų | 67.4 | 18% | 0.176 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -64.4 | -40 | -178.4 | -81.6 | -69.2 | 0 | 0 | 0 | 112.9 | L53 K56 L60 E68 A69 R75 G76 | L53-Y72 HydrophobicContact CD2-CD1 3.96Å; L53-Y72 HydrophobicContact CD2-CE1 4.37Å; K56-Y72 HydrophobicContact CD-CD1 4.09Å; K56-Y72 HydrophobicContact CD-CE1 3.99Å; K56-Y72 HydrophobicContact CD-CG 4.45Å; K56-Y72 VanDerWaalsContact CE-CZ 3.42Å; K56-Y72 HydrophobicContact CG-CG 4.47Å; K56-Y72 PolarHBondContact NZ-OH 2.8Å; L60-Y72 HydrophobicContact CD1-CD2 3.45Å; L60-Y72 VanDerWaalsContact CD1-CD2 3.45Å; L60-Y72 HydrophobicContact CD1-CE2 3.73Å; L60-Y72 HydrophobicContact CD1-CG 4.39Å; E68-Y72 HydrophobicContact CB-CD2 4.48Å; E68-Y72 WeakPolarHBondContact O-CD2 3.33Å; E68-Y72 PolarHBondContact O-N 2.96Å; A69-Y72 PolarHBondContact O-N 3.29Å; Y72-R75 PolarHBondContact O-N 3.34Å; Y72-G76 PolarHBondContact O-N 3.4Å |
| 73 | V | 93.9 | Very high | 91.8 | Very high | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -69.6 | -41.5 | 178.1 | -178.1 | 0 | 0 | 0 | 0 | 111.3 | A69 E71 R75 G76 L77 I89 Y90 I93 | A69-V73 WeakPolarHBondContact O-CG2 3.24Å; A69-V73 PolarHBondContact O-N 2.8Å; E71-V73 PolarHBondContact O-N 3.02Å; V73-R75 VanDerWaalsContact C-N 3.31Å; V73-R75 PolarHBondContact O-N 3.33Å; V73-G76 PolarHBondContact O-N 3.23Å; V73-L77 WeakPolarHBondContact O-CB 3.33Å; V73-L77 PolarHBondContact O-N 2.97Å; V73-I89 HydrophobicContact CG1-CG2 4.02Å; V73-I89 HydrophobicContact CG2-CG2 3.78Å; V73-Y90 HydrophobicContact CB-CD2 4.49Å; V73-Y90 HydrophobicContact CG1-CD2 3.67Å; V73-Y90 HydrophobicContact CG1-CG 4.15Å; V73-I93 HydrophobicContact CB-CG1 4.35Å; V73-I93 HydrophobicContact CG1-CG1 4.47Å; V73-I93 HydrophobicContact CG2-CD1 4.31Å; V73-I93 HydrophobicContact CG2-CG1 3.76Å |
| 74 | K | 94.3 | Very high | 91.9 | Very high | 108 Ų | 108 | 65.5 Ų | 65.5 | 47% | 0.47 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -60.8 | -40.5 | 173.4 | -76.5 | 177.6 | -179.9 | 179.7 | 0 | 111.9 | R70 E71 K78 Y90 | R70-K74 WeakPolarHBondContact O-CB 3.35Å; R70-K74 VanDerWaalsContact O-CG 3.26Å; R70-K74 WeakPolarHBondContact O-CG 3.48Å; R70-K74 PolarHBondContact O-N 2.89Å; R70-K74 VanDerWaalsContact O-N 3.12Å; E71-K74 PolarHBondContact O-N 3.46Å; K74-K78 WeakPolarHBondContact O-CG 3.44Å; K74-K78 PolarHBondContact O-N 2.81Å; K74-Y90 HydrophobicContact CG-CE2 4.06Å |
| 75 | R | 94 | Very high | 92.1 | Very high | 81 Ų | 81 | 64.2 Ų | 64.2 | 31% | 0.306 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -64.8 | -45.2 | 174.4 | -74.8 | 174.2 | 59.5 | -178.6 | -0.4 | 111.9 | E48 E71 Y72 V73 L77 K78 A79 | E48-R75 IonicContact OE1-NH2 2.76Å; E48-R75 PolarHBondContact OE1-NH2 3.16Å; E71-R75 WeakPolarHBondContact O-CB 3.44Å; E71-R75 VanDerWaalsContact O-CG 3.29Å; E71-R75 WeakPolarHBondContact O-CG 3.47Å; E71-R75 PolarHBondContact O-N 3.31Å; E71-R75 IonicContact OE1-NH1 2.55Å; E71-R75 PolarHBondContact OE1-NH1 3.44Å; Y72-R75 PolarHBondContact O-N 3.34Å; V73-R75 VanDerWaalsContact C-N 3.31Å; V73-R75 PolarHBondContact O-N 3.33Å; R75-L77 VanDerWaalsContact C-N 3.34Å; R75-L77 PolarHBondContact O-N 3.41Å; R75-K78 PolarHBondContact O-N 3.31Å; R75-A79 WeakPolarHBondContact O-CB 3.22Å; R75-A79 PolarHBondContact O-N 3.07Å |
| 76 | G | 92.7 | Very high | 92.3 | Very high | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -60.1 | -42.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | G50 Y72 V73 A79 N80 | G50-G76 WeakPolarHBondContact CA-O 3.38Å; G50-G76 WeakPolarHBondContact O-CA 3.26Å; Y72-G76 PolarHBondContact O-N 3.4Å; V73-G76 PolarHBondContact O-N 3.23Å; G76-A79 PolarHBondContact O-N 3.04Å; G76-N80 PolarHBondContact O-N 3.34Å |
| 77 | L | 92.9 | Very high | 92.7 | Very high | 18 Ų | 18 | 57.9 Ų | 57.9 | 9% | 0.094 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -65.9 | -40.7 | 175.9 | -173.4 | 64.5 | 0 | 0 | 0 | 112.5 | V73 R75 A79 N80 I81 C86 W87 Y90 | V73-L77 WeakPolarHBondContact O-CB 3.33Å; V73-L77 PolarHBondContact O-N 2.97Å; R75-L77 VanDerWaalsContact C-N 3.34Å; R75-L77 PolarHBondContact O-N 3.41Å; L77-A79 VanDerWaalsContact C-N 3.29Å; L77-A79 PolarHBondContact O-N 3.08Å; L77-N80 CarbonylContact O-C 3.39Å; L77-N80 VanDerWaalsContact O-C 3.25Å; L77-N80 PolarHBondContact O-N 3.1Å; L77-I81 WeakPolarHBondContact O-CA 3.3Å; L77-I81 PolarHBondContact O-N 3.19Å; L77-I81 VanDerWaalsContact O-N 3.16Å; L77-C86 HydrophobicContact CD1-CB 3.87Å; L77-W87 HydrophobicContact CD1-CD2 3.73Å; L77-W87 HydrophobicContact CD1-CE3 4.2Å; L77-W87 HydrophobicContact CD1-CG 4.01Å; L77-W87 HydrophobicContact CD1-CZ2 4.09Å; L77-W87 HydrophobicContact CD2-CE3 4.22Å; L77-W87 HydrophobicContact CD2-CH2 4.1Å; L77-W87 HydrophobicContact CD2-CZ2 4.43Å; L77-W87 HydrophobicContact CD2-CZ3 3.98Å; L77-Y90 HydrophobicContact CD2-CD1 3.83Å; L77-Y90 HydrophobicContact CD2-CE1 4.22Å; L77-Y90 HydrophobicContact CD2-CG 4.21Å |
| 78 | K | 93.1 | Very high | 93 | Very high | 185 Ų | 185 | 53.4 Ų | 53.4 | 80% | 0.804 | 25% | 0.25 | S | S | * | . | H | α-helix | trans | -63.1 | -35.8 | 173.2 | -74.9 | 177.9 | -179.2 | -175.4 | 0 | 112.3 | K74 R75 | K74-K78 WeakPolarHBondContact O-CG 3.44Å; K74-K78 PolarHBondContact O-N 2.81Å; R75-K78 PolarHBondContact O-N 3.31Å |
| 79 | A | 90.6 | Very high | 93.1 | Very high | 29 Ų | 29 | 50 Ų | 50 | 24% | 0.24 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -73.2 | -35 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | E48 L53 R75 G76 L77 | E48-A79 WeakPolarHBondContact O-CB 3.37Å; L53-A79 HydrophobicContact CD1-CB 4.42Å; R75-A79 WeakPolarHBondContact O-CB 3.22Å; R75-A79 PolarHBondContact O-N 3.07Å; G76-A79 PolarHBondContact O-N 3.04Å; L77-A79 VanDerWaalsContact C-N 3.29Å; L77-A79 PolarHBondContact O-N 3.08Å |
| 80 | N | 89.8 | Confident | 93.3 | Very high | 12 Ų | 12 | 52.2 Ų | 52.2 | 6% | 0.064 | 24% | 0.243 | C | C | . | . | trans | -144.7 | 91.7 | 174.6 | -171.8 | -6.5 | 0 | 0 | 0 | 111.5 | Y8 G76 L77 T82 S83 | Y8-N80 HydrophobicContact CD1-CB 4.32Å; G76-N80 PolarHBondContact O-N 3.34Å; L77-N80 CarbonylContact O-C 3.39Å; L77-N80 VanDerWaalsContact O-C 3.25Å; L77-N80 PolarHBondContact O-N 3.1Å; N80-T82 VanDerWaalsContact C-N 3.27Å; N80-T82 PolarHBondContact O-N 3.12Å; N80-T82 PolarHBondContact OD1-N 2.75Å; N80-T82 PolarHBondContact OD1-OG1 3.27Å; N80-S83 PolarHBondContact OD1-N 2.96Å | ||
| 81 | I | 91.2 | Very high | 93.5 | Very high | 107 Ų | 107 | 47.6 Ų | 47.6 | 55% | 0.549 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -15.6 | 179.5 | -152.8 | 163.6 | 0 | 0 | 0 | 113.1 | L77 W87 | L77-I81 WeakPolarHBondContact O-CA 3.3Å; L77-I81 PolarHBondContact O-N 3.19Å; L77-I81 VanDerWaalsContact O-N 3.16Å; I81-W87 HydrophobicContact CD1-CZ2 4.4Å; I81-W87 HydrophobicContact CG1-CZ2 3.85Å; I81-W87 PolarHBondContact O-NE1 3.14Å |
| 82 | T | 90.3 | Very high | 93.5 | Very high | 96 Ų | 96 | 44 Ų | 44 | 59% | 0.589 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92.5 | 0.4 | -179.9 | 49.1 | 0 | 0 | 0 | 0 | 113.3 | N80 L113 | N80-T82 VanDerWaalsContact C-N 3.27Å; N80-T82 PolarHBondContact O-N 3.12Å; N80-T82 PolarHBondContact OD1-N 2.75Å; N80-T82 PolarHBondContact OD1-OG1 3.27Å; T82-L113 WeakPolarHBondContact O-CD1 3.42Å |
| 83 | S | 91.4 | Very high | 93.5 | Very high | 5 Ų | 5 | 41.9 Ų | 41.9 | 4% | 0.035 | 20% | 0.201 | C | C | . | . | trans | -88.8 | 122.4 | 175.4 | 177.4 | 0 | 0 | 0 | 0 | 110.8 | E51 N80 V85 C86 W87 | E51-S83 WeakPolarHBondContact CG-OG 3.47Å; E51-S83 PolarHBondContact OE1-OG 2.93Å; N80-S83 PolarHBondContact OD1-N 2.96Å; S83-V85 PolarHBondContact O-N 3.24Å; S83-V85 PolarHBondContact OG-N 2.91Å; S83-C86 PolarHBondContact O-N 2.91Å; S83-W87 PolarHBondContact O-N 3.32Å | ||
| 84 | F | 92.8 | Very high | 93.5 | Very high | 64 Ų | 64 | 43 Ų | 43 | 28% | 0.281 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -60.7 | -31.4 | 173 | 80.5 | -92.2 | 0 | 0 | 0 | 111.3 | W87 H88 A110 L113 D114 N117 | F84-W87 PolarHBondContact O-N 3.5Å; F84-H88 VanDerWaalsContact O-CB 3.31Å; F84-H88 WeakPolarHBondContact O-CB 3.31Å; F84-H88 PolarHBondContact O-N 3.41Å; F84-A110 HydrophobicContact CB-CB 4.32Å; F84-L113 HydrophobicContact CB-CB 4.02Å; F84-L113 HydrophobicContact CB-CD1 4.48Å; F84-D114 HydrophobicContact CB-CB 4.1Å; F84-D114 HydrophobicContact CD1-CB 4Å; F84-D114 HydrophobicContact CD2-CB 4.48Å; F84-D114 HydrophobicContact CG-CB 3.93Å; F84-N117 WeakPolarHBondContact CE2-ND2 3.29Å |
| 85 | V | 92.5 | Very high | 93.5 | Very high | 25 Ų | 25 | 40.2 Ų | 40.2 | 15% | 0.152 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -63.7 | -43.7 | 179.2 | 179.9 | 0 | 0 | 0 | 0 | 110.6 | E51 S83 W87 H88 I89 | E51-V85 HydrophobicContact CB-CG1 4.43Å; E51-V85 HydrophobicContact CG-CB 4.43Å; S83-V85 PolarHBondContact O-N 3.24Å; S83-V85 PolarHBondContact OG-N 2.91Å; V85-W87 PolarHBondContact O-N 3.42Å; V85-H88 PolarHBondContact O-N 3.41Å; V85-I89 HydrophobicContact CG1-CD1 3.67Å; V85-I89 HydrophobicContact CG1-CG1 4.39Å; V85-I89 WeakPolarHBondContact O-CB 3.49Å; V85-I89 VanDerWaalsContact O-CG1 3.29Å; V85-I89 WeakPolarHBondContact O-CG1 3.26Å; V85-I89 PolarHBondContact O-N 3.32Å |
| 86 | C | 94.7 | Very high | 93.3 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -60.9 | -45.2 | 176.6 | -69.8 | 0 | 0 | 0 | 0 | 111.8 | G50 L77 S83 Y90 | G50-C86 VanDerWaalsContact C-SG 3.52Å; L77-C86 HydrophobicContact CD1-CB 3.87Å; S83-C86 PolarHBondContact O-N 2.91Å; C86-Y90 VanDerWaalsContact O-CB 3.32Å; C86-Y90 WeakPolarHBondContact O-CB 3.42Å; C86-Y90 PolarHBondContact O-N 3.38Å |
| 87 | W | 96.7 | Very high | 93.2 | Very high | 46 Ų | 46 | 39.5 Ų | 39.5 | 17% | 0.174 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -66.3 | -43.7 | 177.5 | -78.5 | 108.2 | 0 | 0 | 0 | 112.7 | L77 I81 S83 F84 V85 Y90 G91 C106 Q109 A110 | L77-W87 HydrophobicContact CD1-CD2 3.73Å; L77-W87 HydrophobicContact CD1-CE3 4.2Å; L77-W87 HydrophobicContact CD1-CG 4.01Å; L77-W87 HydrophobicContact CD1-CZ2 4.09Å; L77-W87 HydrophobicContact CD2-CE3 4.22Å; L77-W87 HydrophobicContact CD2-CH2 4.1Å; L77-W87 HydrophobicContact CD2-CZ2 4.43Å; L77-W87 HydrophobicContact CD2-CZ3 3.98Å; I81-W87 HydrophobicContact CD1-CZ2 4.4Å; I81-W87 HydrophobicContact CG1-CZ2 3.85Å; I81-W87 PolarHBondContact O-NE1 3.14Å; S83-W87 PolarHBondContact O-N 3.32Å; F84-W87 PolarHBondContact O-N 3.5Å; V85-W87 PolarHBondContact O-N 3.42Å; W87-Y90 HydrophobicContact CE3-CD1 4.46Å; W87-Y90 HydrophobicContact CZ3-CD1 4.42Å; W87-Y90 PolarHBondContact O-N 3.04Å; W87-G91 PolarHBondContact O-N 3.48Å; W87-C106 HydrophobicContact CE3-CB 4.4Å; W87-Q109 HydrophobicContact CD2-CB 3.71Å; W87-Q109 HydrophobicContact CE3-CB 3.88Å; W87-Q109 HydrophobicContact CE3-CG 4.34Å; W87-Q109 HydrophobicContact CG-CB 4.08Å; W87-Q109 HydrophobicContact CH2-CG 4.4Å; W87-Q109 HydrophobicContact CZ2-CB 4.43Å; W87-Q109 HydrophobicContact CZ3-CB 4.32Å; W87-Q109 HydrophobicContact CZ3-CG 4.29Å; W87-A110 HydrophobicContact CB-CB 3.78Å |
| 88 | H | 96.1 | Very high | 93 | Very high | 22 Ų | 22 | 42.5 Ų | 42.5 | 10% | 0.102 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62.3 | -46.7 | 178.4 | 178.7 | -136.4 | 0 | 0 | 0 | 111.2 | F84 V85 Y90 G91 L92 Y107 A110 V120 D123 | F84-H88 VanDerWaalsContact O-CB 3.31Å; F84-H88 WeakPolarHBondContact O-CB 3.31Å; F84-H88 PolarHBondContact O-N 3.41Å; V85-H88 PolarHBondContact O-N 3.41Å; H88-Y90 VanDerWaalsContact C-N 3.32Å; H88-Y90 PolarHBondContact O-N 2.91Å; H88-G91 CarbonylContact O-C 3.52Å; H88-G91 PolarHBondContact O-N 3.5Å; H88-G91 VanDerWaalsContact O-N 3.16Å; H88-L92 WeakPolarHBondContact O-CG 3.49Å; H88-L92 PolarHBondContact O-N 2.95Å; H88-Y107 AromaticContact CD2-CD1 3.84Å; H88-Y107 AromaticContact CD2-CE1 3.54Å; H88-A110 HydrophobicContact CB-CB 4.32Å; H88-V120 HydrophobicContact CB-CG2 4.06Å; H88-D123 IonicContact CD2-OD2 3.73Å; H88-D123 IonicContact CE1-OD2 3.71Å; H88-D123 PolarHBondContact CE1-OD2 3.45Å; H88-D123 IonicContact NE2-OD2 3.9Å; H88-D123 PolarHBondContact NE2-OD2 2.98Å |
| 89 | I | 95.5 | Very high | 93 | Very high | 5 Ų | 5 | 38.4 Ų | 38.4 | 3% | 0.026 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -63.3 | -39.3 | 175.8 | -69.2 | 169.8 | 0 | 0 | 0 | 111.4 | A54 M55 I58 V73 V85 G91 L92 I93 | A54-I89 HydrophobicContact CB-CB 4.14Å; A54-I89 HydrophobicContact CB-CD1 3.69Å; A54-I89 HydrophobicContact CB-CG2 4.04Å; A54-I89 WeakPolarHBondContact O-CG2 3.31Å; M55-I89 HydrophobicContact CG-CD1 3.99Å; M55-I89 HydrophobicContact SD-CD1 3.51Å; M55-I89 VanDerWaalsContact SD-CD1 3.51Å; I58-I89 HydrophobicContact CB-CG2 3.89Å; I58-I89 HydrophobicContact CD1-CG2 4.41Å; I58-I89 HydrophobicContact CG2-CG2 4.37Å; V73-I89 HydrophobicContact CG1-CG2 4.02Å; V73-I89 HydrophobicContact CG2-CG2 3.78Å; V85-I89 HydrophobicContact CG1-CD1 3.67Å; V85-I89 HydrophobicContact CG1-CG1 4.39Å; V85-I89 WeakPolarHBondContact O-CB 3.49Å; V85-I89 VanDerWaalsContact O-CG1 3.29Å; V85-I89 WeakPolarHBondContact O-CG1 3.26Å; V85-I89 PolarHBondContact O-N 3.32Å; I89-G91 VanDerWaalsContact C-N 3.3Å; I89-G91 PolarHBondContact O-N 3.28Å; I89-L92 PolarHBondContact O-N 3.23Å; I89-L92 VanDerWaalsContact O-N 3.15Å; I89-I93 WeakPolarHBondContact O-CG1 3.47Å; I89-I93 PolarHBondContact O-N 3.35Å |
| 90 | Y | 96.1 | Very high | 93.2 | Very high | 46 Ų | 46 | 38 Ų | 38 | 18% | 0.18 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -61.8 | -39.8 | 174.7 | -169.4 | -128 | 0 | 0 | 0 | 112.4 | V73 K74 L77 C86 W87 H88 I93 H94 C106 | V73-Y90 HydrophobicContact CB-CD2 4.49Å; V73-Y90 HydrophobicContact CG1-CD2 3.67Å; V73-Y90 HydrophobicContact CG1-CG 4.15Å; K74-Y90 HydrophobicContact CG-CE2 4.06Å; L77-Y90 HydrophobicContact CD2-CD1 3.83Å; L77-Y90 HydrophobicContact CD2-CE1 4.22Å; L77-Y90 HydrophobicContact CD2-CG 4.21Å; C86-Y90 VanDerWaalsContact O-CB 3.32Å; C86-Y90 WeakPolarHBondContact O-CB 3.42Å; C86-Y90 PolarHBondContact O-N 3.38Å; W87-Y90 HydrophobicContact CE3-CD1 4.46Å; W87-Y90 HydrophobicContact CZ3-CD1 4.42Å; W87-Y90 PolarHBondContact O-N 3.04Å; H88-Y90 VanDerWaalsContact C-N 3.32Å; H88-Y90 PolarHBondContact O-N 2.91Å; Y90-I93 PolarHBondContact O-N 3.46Å; Y90-H94 AromaticContact CE1-CD2 3.91Å; Y90-H94 AromaticContact CE1-NE2 3.46Å; Y90-H94 WeakPolarHBondContact CE1-NE2 3.39Å; Y90-H94 AromaticContact CE2-NE2 3.69Å; Y90-H94 AromaticContact CZ-CD2 3.87Å; Y90-H94 AromaticContact CZ-NE2 3.16Å; Y90-H94 PolarHBondContact O-CD2 2.91Å; Y90-H94 PolarHBondContact O-N 3.19Å; Y90-H94 VanDerWaalsContact O-N 3.15Å; Y90-H94 PolarHBondContact OH-NE2 3.29Å; Y90-H94 VanDerWaalsContact OH-NE2 3.14Å; Y90-C106 WeakPolarHBondContact CD1-SG 3.49Å |
| 91 | G | 95.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -63.9 | -40.2 | 170.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | W87 H88 I89 I93 H94 K95 A103 C106 | W87-G91 PolarHBondContact O-N 3.48Å; H88-G91 CarbonylContact O-C 3.52Å; H88-G91 PolarHBondContact O-N 3.5Å; H88-G91 VanDerWaalsContact O-N 3.16Å; I89-G91 VanDerWaalsContact C-N 3.3Å; I89-G91 PolarHBondContact O-N 3.28Å; G91-I93 VanDerWaalsContact C-N 3.32Å; G91-I93 PolarHBondContact O-N 2.94Å; G91-H94 PolarHBondContact O-N 3.06Å; G91-K95 WeakPolarHBondContact O-CB 3.49Å; G91-K95 PolarHBondContact O-N 3.44Å; G91-A103 WeakPolarHBondContact O-CB 3.18Å; G91-C106 VanDerWaalsContact CA-CB 3.49Å |
| 92 | L | 94.9 | Very high | 93.7 | Very high | 29 Ų | 29 | 42.2 Ų | 42.2 | 15% | 0.152 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -63.4 | -35.1 | 175.8 | -69.9 | 169.5 | 0 | 0 | 0 | 112.6 | I58 H88 I89 K95 S96 Y107 | I58-L92 HydrophobicContact CD1-CB 3.88Å; I58-L92 HydrophobicContact CD1-CD1 3.52Å; I58-L92 HydrophobicContact CD1-CG 4.33Å; H88-L92 WeakPolarHBondContact O-CG 3.49Å; H88-L92 PolarHBondContact O-N 2.95Å; I89-L92 PolarHBondContact O-N 3.23Å; I89-L92 VanDerWaalsContact O-N 3.15Å; L92-K95 HydrophobicContact CD2-CD 4.5Å; L92-K95 PolarHBondContact O-N 3.24Å; L92-S96 PolarHBondContact O-N 3.5Å; L92-Y107 VanDerWaalsContact CD2-OH 3.29Å; L92-Y107 WeakPolarHBondContact CD2-OH 3.45Å; L92-Y107 HydrophobicContact CG-CE1 4.47Å |
| 93 | I | 94.5 | Very high | 94 | Very high | 2 Ų | 2 | 37.6 Ų | 37.6 | 1% | 0.01 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -66.1 | -47.6 | 172.8 | -64.2 | -57.5 | 0 | 0 | 0 | 111 | N61 A69 R70 V73 I89 Y90 G91 K95 S96 D97 | N61-I93 HydrophobicContact CB-CD1 3.59Å; A69-I93 HydrophobicContact CB-CD1 4.32Å; R70-I93 HydrophobicContact CG-CG2 3.96Å; V73-I93 HydrophobicContact CB-CG1 4.35Å; V73-I93 HydrophobicContact CG1-CG1 4.47Å; V73-I93 HydrophobicContact CG2-CD1 4.31Å; V73-I93 HydrophobicContact CG2-CG1 3.76Å; I89-I93 WeakPolarHBondContact O-CG1 3.47Å; I89-I93 PolarHBondContact O-N 3.35Å; Y90-I93 PolarHBondContact O-N 3.46Å; G91-I93 VanDerWaalsContact C-N 3.32Å; G91-I93 PolarHBondContact O-N 2.94Å; I93-K95 VanDerWaalsContact C-N 3.29Å; I93-K95 PolarHBondContact O-N 3.41Å; I93-S96 PolarHBondContact O-N 3.44Å; I93-S96 VanDerWaalsContact O-N 3.12Å; I93-S96 PolarHBondContact O-OG 2.93Å; I93-D97 PolarHBondContact O-N 3.11Å; I93-D97 VanDerWaalsContact O-N 3.13Å |
| 94 | H | 94.3 | Very high | 94.3 | Very high | 23 Ų | 23 | 38.3 Ų | 38.3 | 11% | 0.106 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -61.9 | -37.7 | 176 | -78.8 | -64 | 0 | 0 | 0 | 112.4 | Y90 G91 S96 D97 H98 K99 E102 A103 | Y90-H94 AromaticContact CE1-CD2 3.91Å; Y90-H94 AromaticContact CE1-NE2 3.46Å; Y90-H94 WeakPolarHBondContact CE1-NE2 3.39Å; Y90-H94 AromaticContact CE2-NE2 3.69Å; Y90-H94 AromaticContact CZ-CD2 3.87Å; Y90-H94 AromaticContact CZ-NE2 3.16Å; Y90-H94 PolarHBondContact O-CD2 2.91Å; Y90-H94 PolarHBondContact O-N 3.19Å; Y90-H94 VanDerWaalsContact O-N 3.15Å; Y90-H94 PolarHBondContact OH-NE2 3.29Å; Y90-H94 VanDerWaalsContact OH-NE2 3.14Å; G91-H94 PolarHBondContact O-N 3.06Å; H94-S96 VanDerWaalsContact C-N 3.34Å; H94-S96 PolarHBondContact O-N 3.38Å; H94-D97 CarbonylContact O-C 3.6Å; H94-D97 PolarHBondContact O-N 3.5Å; H94-D97 VanDerWaalsContact O-N 3.11Å; H94-H98 PolarHBondContact O-N 2.83Å; H94-K99 HydrophobicContact CB-CB 4.26Å; H94-K99 PolarHBondContact O-N 3.39Å; H94-E102 HydrophobicContact CB-CB 4.34Å; H94-A103 HydrophobicContact CB-CB 3.98Å |
| 95 | K | 93.3 | Very high | 94.5 | Very high | 49 Ų | 49 | 40.3 Ų | 40.3 | 21% | 0.213 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -59.1 | -44.4 | 172.3 | -179.9 | -175.1 | 175.7 | -168 | 0 | 111.2 | G91 L92 I93 D97 H98 A103 L127 | G91-K95 WeakPolarHBondContact O-CB 3.49Å; G91-K95 PolarHBondContact O-N 3.44Å; L92-K95 HydrophobicContact CD2-CD 4.5Å; L92-K95 PolarHBondContact O-N 3.24Å; I93-K95 VanDerWaalsContact C-N 3.29Å; I93-K95 PolarHBondContact O-N 3.41Å; K95-D97 PolarHBondContact O-N 3.22Å; K95-H98 PolarHBondContact O-N 3.5Å; K95-A103 HydrophobicContact CB-CB 4.16Å; K95-L127 HydrophobicContact CD-CD2 4.21Å; K95-L127 HydrophobicContact CG-CD2 4.16Å |
| 96 | S | 90.6 | Very high | 94.7 | Very high | 34 Ų | 34 | 39.3 Ų | 39.3 | 24% | 0.238 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -69.7 | -12.5 | 176.8 | 70.7 | 0 | 0 | 0 | 0 | 114.7 | N61 L92 I93 H94 | N61-S96 WeakPolarHBondContact ND2-CB 3.39Å; N61-S96 PolarHBondContact ND2-OG 3.14Å; L92-S96 PolarHBondContact O-N 3.5Å; I93-S96 PolarHBondContact O-N 3.44Å; I93-S96 VanDerWaalsContact O-N 3.12Å; I93-S96 PolarHBondContact O-OG 2.93Å; H94-S96 VanDerWaalsContact C-N 3.34Å; H94-S96 PolarHBondContact O-N 3.38Å |
| 97 | D | 89.2 | Confident | 94.8 | Very high | 32 Ų | 32 | 39.3 Ų | 39.3 | 17% | 0.171 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.9 | 10.9 | 171.3 | -73.4 | -13.2 | 0 | 0 | 0 | 111.5 | I93 H94 K95 K99 | I93-D97 PolarHBondContact O-N 3.11Å; I93-D97 VanDerWaalsContact O-N 3.13Å; H94-D97 CarbonylContact O-C 3.6Å; H94-D97 PolarHBondContact O-N 3.5Å; H94-D97 VanDerWaalsContact O-N 3.11Å; K95-D97 PolarHBondContact O-N 3.22Å; D97-K99 HydrophobicContact CB-CD 4.28Å; D97-K99 HydrophobicContact CB-CG 4.35Å; D97-K99 PolarHBondContact O-N 3.1Å; D97-K99 VanDerWaalsContact O-N 3.11Å |
| 98 | H | 89.9 | Confident | 94.8 | Very high | 81 Ų | 81 | 40.7 Ų | 40.7 | 38% | 0.375 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.1 | 20.7 | -176 | -51.1 | -79.3 | 0 | 0 | 0 | 114.7 | H94 K95 Y100 D530 | H94-H98 PolarHBondContact O-N 2.83Å; K95-H98 PolarHBondContact O-N 3.5Å; H98-Y100 VanDerWaalsContact C-N 3.33Å; H98-Y100 HydrophobicContact CB-CE2 4.47Å; H98-Y100 AromaticContact ND1-CZ 3.94Å; H98-Y100 PolarHBondContact ND1-OH 3.46Å; H98-Y100 PolarHBondContact O-N 2.99Å; H98-D530 IonicContact CG-OD2 2.67Å; H98-D530 IonicContact ND1-OD1 2.85Å; H98-D530 IonicContact ND1-OD2 3.39Å |
| 99 | K | 92.3 | Very high | 94.8 | Very high | 100 Ų | 100 | 43.1 Ų | 43.1 | 44% | 0.435 | 20% | 0.203 | S | C | . | . | trans | -90.5 | 68.4 | 176.6 | -66.7 | 174.6 | -175.8 | 169 | 0 | 110.1 | H94 D97 E101 E102 A103 | H94-K99 HydrophobicContact CB-CB 4.26Å; H94-K99 PolarHBondContact O-N 3.39Å; D97-K99 HydrophobicContact CB-CD 4.28Å; D97-K99 HydrophobicContact CB-CG 4.35Å; D97-K99 PolarHBondContact O-N 3.1Å; D97-K99 VanDerWaalsContact O-N 3.11Å; K99-E101 PolarHBondContact O-N 2.97Å; K99-E102 HydrophobicContact CB-CB 4.28Å; K99-E102 PolarHBondContact O-N 3.48Å; K99-A103 PolarHBondContact O-N 3.42Å | ||
| 100 | Y | 94.8 | Very high | 94.8 | Very high | 19 Ų | 19 | 42.9 Ų | 42.9 | 8% | 0.075 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -62.4 | -39.5 | -171.5 | -54.8 | -49.4 | 0 | 0 | 0 | 113.6 | H98 E102 A103 I104 L127 Q130 L131 D530 L533 | H98-Y100 VanDerWaalsContact C-N 3.33Å; H98-Y100 HydrophobicContact CB-CE2 4.47Å; H98-Y100 AromaticContact ND1-CZ 3.94Å; H98-Y100 PolarHBondContact ND1-OH 3.46Å; H98-Y100 PolarHBondContact O-N 2.99Å; Y100-E102 PolarHBondContact O-N 2.92Å; Y100-A103 WeakPolarHBondContact O-CB 3.49Å; Y100-A103 PolarHBondContact O-N 3.18Å; Y100-I104 WeakPolarHBondContact O-CG1 3.44Å; Y100-I104 PolarHBondContact O-N 3.27Å; Y100-L127 HydrophobicContact CD1-CD2 3.68Å; Y100-L127 HydrophobicContact CE1-CD2 4.25Å; Y100-L127 HydrophobicContact CG-CD2 4.41Å; Y100-Q130 HydrophobicContact CD2-CG 3.94Å; Y100-Q130 HydrophobicContact CE2-CG 3.93Å; Y100-Q130 HydrophobicContact CG-CG 4.4Å; Y100-L131 HydrophobicContact CD2-CD2 4.15Å; Y100-D530 VanDerWaalsContact CE2-OD1 3.27Å; Y100-D530 WeakPolarHBondContact CE2-OD1 3.3Å; Y100-D530 PolarHBondContact OH-OD1 3.33Å; Y100-L533 HydrophobicContact CE1-CD2 4.16Å |
| 101 | E | 95.2 | Very high | 94.8 | Very high | 131 Ų | 131 | 41.3 Ų | 41.3 | 61% | 0.612 | 20% | 0.197 | S | C | * | . | H | α-helix | trans | -60.8 | -44.2 | 176.9 | -67.6 | -176.3 | -175.7 | 0 | 0 | 112.4 | K99 I104 K105 L131 | K99-E101 PolarHBondContact O-N 2.97Å; E101-I104 PolarHBondContact O-N 3.39Å; E101-K105 WeakPolarHBondContact O-CG 3.5Å; E101-K105 PolarHBondContact O-N 2.91Å; E101-K105 VanDerWaalsContact O-N 3.11Å; E101-L131 HydrophobicContact CG-CD1 3.81Å |
| 102 | E | 96 | Very high | 94.8 | Very high | 77 Ų | 77 | 48.3 Ų | 48.3 | 36% | 0.36 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -68.8 | -36.3 | 177 | -68.6 | -58.8 | 140.1 | 0 | 0 | 111.6 | H94 K99 Y100 K105 C106 | H94-E102 HydrophobicContact CB-CB 4.34Å; K99-E102 HydrophobicContact CB-CB 4.28Å; K99-E102 PolarHBondContact O-N 3.48Å; Y100-E102 PolarHBondContact O-N 2.92Å; E102-K105 PolarHBondContact O-N 3.2Å; E102-K105 IonicContact OE1-NZ 3.01Å; E102-K105 PolarHBondContact OE1-NZ 2.99Å; E102-C106 PolarHBondContact O-N 3.44Å; E102-C106 VanDerWaalsContact O-N 3.11Å; E102-C106 PolarHBondContact O-SG 3.33Å |
| 103 | A | 96.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -63.2 | -43.1 | 174 | 0 | 0 | 0 | 0 | 0 | 112 | G91 H94 K95 K99 Y100 K105 C106 Y107 L127 | G91-A103 WeakPolarHBondContact O-CB 3.18Å; H94-A103 HydrophobicContact CB-CB 3.98Å; K95-A103 HydrophobicContact CB-CB 4.16Å; K99-A103 PolarHBondContact O-N 3.42Å; Y100-A103 WeakPolarHBondContact O-CB 3.49Å; Y100-A103 PolarHBondContact O-N 3.18Å; A103-K105 PolarHBondContact O-N 2.86Å; A103-C106 WeakPolarHBondContact O-CB 3.42Å; A103-C106 PolarHBondContact O-N 3.27Å; A103-C106 VanDerWaalsContact O-N 3.16Å; A103-Y107 PolarHBondContact O-N 3.15Å; A103-L127 HydrophobicContact CB-CD1 3.48Å; A103-L127 VanDerWaalsContact CB-CD1 3.48Å |
| 104 | I | 97.3 | Very high | 94.7 | Very high | 19 Ų | 19 | 53.3 Ų | 53.3 | 10% | 0.097 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -59.8 | -46.1 | 174.8 | -72.3 | 170.7 | 0 | 0 | 0 | 110.9 | Y100 E101 C106 Y107 L108 L124 L127 Q128 L131 | Y100-I104 WeakPolarHBondContact O-CG1 3.44Å; Y100-I104 PolarHBondContact O-N 3.27Å; E101-I104 PolarHBondContact O-N 3.39Å; I104-C106 PolarHBondContact O-N 2.94Å; I104-Y107 PolarHBondContact O-N 3.45Å; I104-Y107 VanDerWaalsContact O-N 3.15Å; I104-L108 HydrophobicContact CG2-CD1 3.92Å; I104-L108 HydrophobicContact CG2-CG 4.29Å; I104-L108 WeakPolarHBondContact O-CG 3.46Å; I104-L108 PolarHBondContact O-N 3.46Å; I104-L124 HydrophobicContact CB-CD1 4.32Å; I104-L124 HydrophobicContact CG1-CD1 4.11Å; I104-L124 HydrophobicContact CG2-CD1 3.89Å; I104-L127 HydrophobicContact CD1-CB 4.03Å; I104-L127 HydrophobicContact CG1-CB 3.72Å; I104-L127 HydrophobicContact CG1-CD1 4.15Å; I104-Q128 HydrophobicContact CD1-CG 4.37Å; I104-L131 HydrophobicContact CD1-CD1 3.48Å; I104-L131 VanDerWaalsContact CD1-CD1 3.48Å; I104-L131 HydrophobicContact CD1-CG 4.22Å |
| 105 | K | 97.1 | Very high | 94.6 | Very high | 106 Ų | 106 | 56.3 Ų | 56.3 | 46% | 0.461 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -55.8 | -41.7 | 175.7 | -69.2 | 171.6 | -165.9 | 169 | 0 | 111.4 | E101 E102 A103 Q109 | E101-K105 WeakPolarHBondContact O-CG 3.5Å; E101-K105 PolarHBondContact O-N 2.91Å; E101-K105 VanDerWaalsContact O-N 3.11Å; E102-K105 PolarHBondContact O-N 3.2Å; E102-K105 IonicContact OE1-NZ 3.01Å; E102-K105 PolarHBondContact OE1-NZ 2.99Å; A103-K105 PolarHBondContact O-N 2.86Å; K105-Q109 WeakPolarHBondContact O-CG 3.33Å; K105-Q109 PolarHBondContact O-N 2.55Å |
| 106 | C | 96.7 | Very high | 94.6 | Very high | 4 Ų | 4 | 60.3 Ų | 60.3 | 3% | 0.027 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -66.8 | -43.5 | 177.3 | -63 | 0 | 0 | 0 | 0 | 112.4 | W87 Y90 G91 E102 A103 I104 Q109 A110 | W87-C106 HydrophobicContact CE3-CB 4.4Å; Y90-C106 WeakPolarHBondContact CD1-SG 3.49Å; G91-C106 VanDerWaalsContact CA-CB 3.49Å; E102-C106 PolarHBondContact O-N 3.44Å; E102-C106 VanDerWaalsContact O-N 3.11Å; E102-C106 PolarHBondContact O-SG 3.33Å; A103-C106 WeakPolarHBondContact O-CB 3.42Å; A103-C106 PolarHBondContact O-N 3.27Å; A103-C106 VanDerWaalsContact O-N 3.16Å; I104-C106 PolarHBondContact O-N 2.94Å; C106-Q109 PolarHBondContact O-N 2.95Å; C106-A110 PolarHBondContact O-N 2.97Å |
| 107 | Y | 97.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -65.2 | -39 | 178 | -64.8 | -17.9 | 0 | 0 | 0 | 112.7 | H88 L92 A103 I104 Q109 A110 L111 V120 D123 L124 L127 | H88-Y107 AromaticContact CD2-CD1 3.84Å; H88-Y107 AromaticContact CD2-CE1 3.54Å; L92-Y107 VanDerWaalsContact CD2-OH 3.29Å; L92-Y107 WeakPolarHBondContact CD2-OH 3.45Å; L92-Y107 HydrophobicContact CG-CE1 4.47Å; A103-Y107 PolarHBondContact O-N 3.15Å; I104-Y107 PolarHBondContact O-N 3.45Å; I104-Y107 VanDerWaalsContact O-N 3.15Å; Y107-Q109 VanDerWaalsContact C-N 3.29Å; Y107-Q109 PolarHBondContact O-N 3.3Å; Y107-A110 WeakPolarHBondContact O-CB 3.4Å; Y107-A110 PolarHBondContact O-N 2.97Å; Y107-L111 WeakPolarHBondContact O-CG 3.42Å; Y107-L111 PolarHBondContact O-N 2.76Å; Y107-V120 HydrophobicContact CD1-CG1 4.48Å; Y107-V120 HydrophobicContact CG-CG1 4.4Å; Y107-D123 HydrophobicContact CD2-CB 4.4Å; Y107-D123 HydrophobicContact CE2-CB 3.83Å; Y107-L124 HydrophobicContact CD2-CB 4.21Å; Y107-L124 HydrophobicContact CD2-CD1 4.45Å; Y107-L127 HydrophobicContact CD2-CD1 3.95Å; Y107-L127 HydrophobicContact CE2-CD1 3.37Å; Y107-L127 HydrophobicContact CE2-CG 4.01Å |
| 108 | L | 96.4 | Very high | 95 | Very high | 75 Ų | 75 | 60.6 Ų | 60.6 | 39% | 0.393 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -61.6 | -37.7 | 173.7 | -70.3 | 172.2 | 0 | 0 | 0 | 111.9 | I104 L111 K112 L124 | I104-L108 HydrophobicContact CG2-CD1 3.92Å; I104-L108 HydrophobicContact CG2-CG 4.29Å; I104-L108 WeakPolarHBondContact O-CG 3.46Å; I104-L108 PolarHBondContact O-N 3.46Å; L108-L111 PolarHBondContact O-N 3.02Å; L108-K112 WeakPolarHBondContact O-CG 3.48Å; L108-K112 PolarHBondContact O-N 3.48Å; L108-K112 VanDerWaalsContact O-N 3.13Å; L108-L124 HydrophobicContact CD2-CD2 3.82Å |
| 109 | Q | 96.2 | Very high | 95.1 | Very high | 73 Ų | 73 | 60.4 Ų | 60.4 | 34% | 0.341 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -69.4 | -38.3 | 174.1 | -65.2 | -63.1 | -21.8 | 0 | 0 | 112.4 | W87 K105 C106 Y107 L111 K112 | W87-Q109 HydrophobicContact CD2-CB 3.71Å; W87-Q109 HydrophobicContact CE3-CB 3.88Å; W87-Q109 HydrophobicContact CE3-CG 4.34Å; W87-Q109 HydrophobicContact CG-CB 4.08Å; W87-Q109 HydrophobicContact CH2-CG 4.4Å; W87-Q109 HydrophobicContact CZ2-CB 4.43Å; W87-Q109 HydrophobicContact CZ3-CB 4.32Å; W87-Q109 HydrophobicContact CZ3-CG 4.29Å; K105-Q109 WeakPolarHBondContact O-CG 3.33Å; K105-Q109 PolarHBondContact O-N 2.55Å; C106-Q109 PolarHBondContact O-N 2.95Å; Y107-Q109 VanDerWaalsContact C-N 3.29Å; Y107-Q109 PolarHBondContact O-N 3.3Å; Q109-L111 PolarHBondContact O-N 3.04Å; Q109-K112 VanDerWaalsContact NE2-NZ 3.14Å; Q109-K112 PolarHBondContact O-N 3.01Å |
| 110 | A | 96.3 | Very high | 95.3 | Very high | 1 Ų | 1 | 55.6 Ų | 55.6 | 1% | 0.008 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -60.9 | -43.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | F84 W87 H88 C106 Y107 K112 L113 D114 V120 | F84-A110 HydrophobicContact CB-CB 4.32Å; W87-A110 HydrophobicContact CB-CB 3.78Å; H88-A110 HydrophobicContact CB-CB 4.32Å; C106-A110 PolarHBondContact O-N 2.97Å; Y107-A110 WeakPolarHBondContact O-CB 3.4Å; Y107-A110 PolarHBondContact O-N 2.97Å; A110-K112 VanDerWaalsContact C-N 3.32Å; A110-K112 PolarHBondContact O-N 2.94Å; A110-L113 WeakPolarHBondContact O-CB 3.26Å; A110-L113 PolarHBondContact O-N 2.84Å; A110-L113 VanDerWaalsContact O-N 3.09Å; A110-D114 PolarHBondContact O-N 3.33Å; A110-V120 HydrophobicContact CB-CG1 4.05Å |
| 111 | L | 96.1 | Very high | 95.4 | Very high | 12 Ų | 12 | 54.7 Ų | 54.7 | 6% | 0.063 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -70.5 | -22.4 | 178.8 | -69.9 | 172.2 | 0 | 0 | 0 | 114 | Y107 L108 Q109 L113 D114 N115 N117 V120 L121 L124 I140 | Y107-L111 WeakPolarHBondContact O-CG 3.42Å; Y107-L111 PolarHBondContact O-N 2.76Å; L108-L111 PolarHBondContact O-N 3.02Å; Q109-L111 PolarHBondContact O-N 3.04Å; L111-L113 PolarHBondContact O-N 3.43Å; L111-D114 CarbonylContact O-C 3.49Å; L111-N115 WeakPolarHBondContact O-CA 3.32Å; L111-N115 WeakPolarHBondContact O-CB 3.39Å; L111-N115 PolarHBondContact O-N 2.9Å; L111-N115 VanDerWaalsContact O-N 3.16Å; L111-N117 HydrophobicContact CD2-CB 4.44Å; L111-V120 HydrophobicContact CD1-CG1 4.22Å; L111-V120 HydrophobicContact CD2-CB 3.84Å; L111-V120 HydrophobicContact CD2-CG1 3.82Å; L111-V120 HydrophobicContact CG-CB 4.25Å; L111-V120 HydrophobicContact CG-CG1 3.65Å; L111-L121 HydrophobicContact CD1-CD2 3.84Å; L111-L121 HydrophobicContact CD2-CD2 3.71Å; L111-L121 HydrophobicContact CD2-CG 3.78Å; L111-L121 HydrophobicContact CG-CD2 4.44Å; L111-L124 HydrophobicContact CD1-CB 4.49Å; L111-L124 HydrophobicContact CD1-CD2 3.39Å; L111-I140 HydrophobicContact CD1-CD1 4.46Å |
| 112 | K | 95.2 | Very high | 95.4 | Very high | 148 Ų | 148 | 53.9 Ų | 53.9 | 64% | 0.643 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -66.2 | -28.5 | 169.6 | -75.1 | 172.6 | -173.7 | 175.1 | 0 | 112.2 | L108 Q109 A110 | L108-K112 WeakPolarHBondContact O-CG 3.48Å; L108-K112 PolarHBondContact O-N 3.48Å; L108-K112 VanDerWaalsContact O-N 3.13Å; Q109-K112 VanDerWaalsContact NE2-NZ 3.14Å; Q109-K112 PolarHBondContact O-N 3.01Å; A110-K112 VanDerWaalsContact C-N 3.32Å; A110-K112 PolarHBondContact O-N 2.94Å |
| 113 | L | 94 | Very high | 95.4 | Very high | 84 Ų | 84 | 51.1 Ų | 51.1 | 44% | 0.44 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -89.7 | -38.6 | -179.8 | -61.6 | 167.8 | 0 | 0 | 0 | 111.7 | T82 F84 A110 L111 | T82-L113 WeakPolarHBondContact O-CD1 3.42Å; F84-L113 HydrophobicContact CB-CB 4.02Å; F84-L113 HydrophobicContact CB-CD1 4.48Å; A110-L113 WeakPolarHBondContact O-CB 3.26Å; A110-L113 PolarHBondContact O-N 2.84Å; A110-L113 VanDerWaalsContact O-N 3.09Å; L111-L113 PolarHBondContact O-N 3.43Å |
| 114 | D | 92.7 | Very high | 95.4 | Very high | 52 Ų | 52 | 51.1 Ų | 51.1 | 28% | 0.278 | 24% | 0.243 | S | C | . | . | trans | -135.2 | 90.1 | 175.3 | -178.1 | 10.6 | 0 | 0 | 0 | 110.4 | F84 A110 L111 E116 N117 | F84-D114 HydrophobicContact CB-CB 4.1Å; F84-D114 HydrophobicContact CD1-CB 4Å; F84-D114 HydrophobicContact CD2-CB 4.48Å; F84-D114 HydrophobicContact CG-CB 3.93Å; A110-D114 PolarHBondContact O-N 3.33Å; L111-D114 CarbonylContact O-C 3.49Å; D114-E116 VanDerWaalsContact C-N 3.3Å; D114-E116 PolarHBondContact O-N 3.49Å; D114-N117 HydrophobicContact CB-CB 4.3Å; D114-N117 PolarHBondContact O-N 3.45Å; D114-N117 WeakPolarHBondContact OD2-CB 3.31Å; D114-N117 PolarHBondContact OD2-ND2 3.27Å | ||
| 115 | N | 92.5 | Very high | 95.3 | Very high | 85 Ų | 85 | 50.2 Ų | 50.2 | 46% | 0.455 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -20.2 | -171.9 | -179.5 | 37.3 | 0 | 0 | 0 | 113.9 | L111 K143 | L111-N115 WeakPolarHBondContact O-CA 3.32Å; L111-N115 WeakPolarHBondContact O-CB 3.39Å; L111-N115 PolarHBondContact O-N 2.9Å; L111-N115 VanDerWaalsContact O-N 3.16Å; N115-K143 PolarHBondContact OD1-NZ 3.15Å |
| 116 | E | 93.3 | Very high | 95.3 | Very high | 133 Ų | 133 | 45.5 Ų | 45.5 | 62% | 0.621 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -104.4 | 12.6 | -177.2 | -63.1 | -173.4 | 170 | 0 | 0 | 112.6 | D114 L118 L147 | D114-E116 VanDerWaalsContact C-N 3.3Å; D114-E116 PolarHBondContact O-N 3.49Å; E116-L118 PolarHBondContact O-N 2.98Å; E116-L147 HydrophobicContact CB-CD1 4.3Å; E116-L147 HydrophobicContact CB-CD2 4.3Å; E116-L147 HydrophobicContact CG-CD2 4.25Å |
| 117 | N | 94.3 | Very high | 95.3 | Very high | 27 Ų | 27 | 45.3 Ų | 45.3 | 14% | 0.144 | 22% | 0.217 | C | C | . | . | trans | -67.7 | 101.7 | -179.3 | -160.7 | -62.5 | 0 | 0 | 0 | 112.3 | F84 L111 D114 Q119 V120 L121 | F84-N117 WeakPolarHBondContact CE2-ND2 3.29Å; L111-N117 HydrophobicContact CD2-CB 4.44Å; D114-N117 HydrophobicContact CB-CB 4.3Å; D114-N117 PolarHBondContact O-N 3.45Å; D114-N117 WeakPolarHBondContact OD2-CB 3.31Å; D114-N117 PolarHBondContact OD2-ND2 3.27Å; N117-Q119 PolarHBondContact O-N 2.9Å; N117-Q119 VanDerWaalsContact O-N 3.16Å; N117-Q119 WeakPolarHBondContact OD1-CB 3.5Å; N117-Q119 PolarHBondContact OD1-N 3.24Å; N117-Q119 VanDerWaalsContact OD1-N 3.08Å; N117-V120 HydrophobicContact CB-CB 4.15Å; N117-V120 HydrophobicContact CB-CG2 4.01Å; N117-V120 PolarHBondContact O-N 3.43Å; N117-V120 PolarHBondContact OD1-N 2.93Å; N117-L121 WeakPolarHBondContact O-CB 3.4Å; N117-L121 VanDerWaalsContact O-CG 3.26Å; N117-L121 WeakPolarHBondContact O-CG 3.25Å; N117-L121 PolarHBondContact O-N 3.26Å | ||
| 118 | L | 93.5 | Very high | 95.2 | Very high | 45 Ų | 45 | 45.8 Ų | 45.8 | 24% | 0.236 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -57.6 | -30.6 | -179.2 | -67.3 | 175.1 | 0 | 0 | 0 | 114.2 | E116 R122 L144 L147 R148 | E116-L118 PolarHBondContact O-N 2.98Å; L118-R122 WeakPolarHBondContact O-CB 3.46Å; L118-R122 WeakPolarHBondContact O-CG 3.35Å; L118-R122 PolarHBondContact O-N 2.98Å; L118-R122 PolarHBondContact O-NE 2.83Å; L118-L144 HydrophobicContact CD2-CD2 4.1Å; L118-L147 HydrophobicContact CD2-CB 3.72Å; L118-L147 HydrophobicContact CD2-CD1 3.72Å; L118-L147 HydrophobicContact CD2-CG 4.37Å; L118-R148 HydrophobicContact CD1-CG 4.02Å; L118-R148 VanDerWaalsContact CD1-NE 3.32Å; L118-R148 HydrophobicContact CD2-CG 4.01Å |
| 119 | Q | 92.7 | Very high | 95.2 | Very high | 77 Ų | 77 | 42.3 Ų | 42.3 | 36% | 0.36 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -73.1 | -51.3 | 178.9 | -176.2 | 58 | 43.9 | 0 | 0 | 110.4 | N117 L121 R122 D123 | N117-Q119 PolarHBondContact O-N 2.9Å; N117-Q119 VanDerWaalsContact O-N 3.16Å; N117-Q119 WeakPolarHBondContact OD1-CB 3.5Å; N117-Q119 PolarHBondContact OD1-N 3.24Å; N117-Q119 VanDerWaalsContact OD1-N 3.08Å; Q119-L121 VanDerWaalsContact C-N 3.33Å; Q119-L121 PolarHBondContact O-N 2.88Å; Q119-R122 PolarHBondContact O-N 3.34Å; Q119-D123 VanDerWaalsContact NE2-CG 3.3Å; Q119-D123 PolarHBondContact NE2-OD1 2.93Å; Q119-D123 PolarHBondContact NE2-OD2 3.3Å; Q119-D123 PolarHBondContact O-N 3Å |
| 120 | V | 96.2 | Very high | 95.2 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -64.3 | -38.8 | -179.3 | -172.7 | 0 | 0 | 0 | 0 | 111.3 | H88 Y107 A110 L111 N117 R122 D123 L124 | H88-V120 HydrophobicContact CB-CG2 4.06Å; Y107-V120 HydrophobicContact CD1-CG1 4.48Å; Y107-V120 HydrophobicContact CG-CG1 4.4Å; A110-V120 HydrophobicContact CB-CG1 4.05Å; L111-V120 HydrophobicContact CD1-CG1 4.22Å; L111-V120 HydrophobicContact CD2-CB 3.84Å; L111-V120 HydrophobicContact CD2-CG1 3.82Å; L111-V120 HydrophobicContact CG-CB 4.25Å; L111-V120 HydrophobicContact CG-CG1 3.65Å; N117-V120 HydrophobicContact CB-CB 4.15Å; N117-V120 HydrophobicContact CB-CG2 4.01Å; N117-V120 PolarHBondContact O-N 3.43Å; N117-V120 PolarHBondContact OD1-N 2.93Å; V120-R122 VanDerWaalsContact C-N 3.35Å; V120-R122 PolarHBondContact O-N 3.25Å; V120-D123 PolarHBondContact O-N 3.06Å; V120-L124 VanDerWaalsContact O-CB 3.26Å; V120-L124 WeakPolarHBondContact O-CB 3.48Å; V120-L124 PolarHBondContact O-N 3.18Å |
| 121 | L | 97.2 | Very high | 95.1 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -60.4 | -42.8 | 175 | -71.7 | 171.1 | 0 | 0 | 0 | 111.9 | L111 N117 Q119 S125 I140 K143 L144 L147 | L111-L121 HydrophobicContact CD1-CD2 3.84Å; L111-L121 HydrophobicContact CD2-CD2 3.71Å; L111-L121 HydrophobicContact CD2-CG 3.78Å; L111-L121 HydrophobicContact CG-CD2 4.44Å; N117-L121 WeakPolarHBondContact O-CB 3.4Å; N117-L121 VanDerWaalsContact O-CG 3.26Å; N117-L121 WeakPolarHBondContact O-CG 3.25Å; N117-L121 PolarHBondContact O-N 3.26Å; Q119-L121 VanDerWaalsContact C-N 3.33Å; Q119-L121 PolarHBondContact O-N 2.88Å; L121-S125 WeakPolarHBondContact O-CB 3.29Å; L121-S125 PolarHBondContact O-N 3.47Å; L121-S125 PolarHBondContact O-OG 2.98Å; L121-I140 HydrophobicContact CB-CG2 4.23Å; L121-I140 HydrophobicContact CD2-CD1 4.07Å; L121-I140 HydrophobicContact CD2-CG2 4.04Å; L121-I140 WeakPolarHBondContact O-CG2 3.35Å; L121-K143 HydrophobicContact CD2-CD 4.31Å; L121-L144 HydrophobicContact CB-CD1 4.44Å; L121-L144 HydrophobicContact CB-CD2 3.7Å; L121-L144 HydrophobicContact CB-CG 4.03Å; L121-L144 HydrophobicContact CD1-CD2 4.27Å; L121-L147 HydrophobicContact CD1-CD1 3.65Å |
| 122 | R | 94.9 | Very high | 95 | Very high | 113 Ų | 113 | 45 Ų | 45 | 43% | 0.426 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -65.3 | -49 | 176.7 | -74.9 | 179.8 | -64.9 | 170.1 | 3.3 | 111.2 | L118 Q119 V120 L124 S125 V126 L144 | L118-R122 WeakPolarHBondContact O-CB 3.46Å; L118-R122 WeakPolarHBondContact O-CG 3.35Å; L118-R122 PolarHBondContact O-N 2.98Å; L118-R122 PolarHBondContact O-NE 2.83Å; Q119-R122 PolarHBondContact O-N 3.34Å; V120-R122 VanDerWaalsContact C-N 3.35Å; V120-R122 PolarHBondContact O-N 3.25Å; R122-L124 VanDerWaalsContact C-N 3.32Å; R122-L124 PolarHBondContact O-N 3.09Å; R122-S125 PolarHBondContact O-N 3.12Å; R122-S125 PolarHBondContact O-OG 3.29Å; R122-V126 WeakPolarHBondContact O-CG2 3.14Å; R122-V126 PolarHBondContact O-N 2.88Å; R122-L144 HydrophobicContact CG-CD1 4.16Å; R122-L144 HydrophobicContact CG-CD2 3.9Å |
| 123 | D | 95.5 | Very high | 95.1 | Very high | 20 Ų | 20 | 41 Ų | 41 | 11% | 0.107 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -61.1 | -41 | -179.8 | -66.1 | -25 | 0 | 0 | 0 | 111.9 | H88 Y107 Q119 V120 V126 L127 | H88-D123 IonicContact CD2-OD2 3.73Å; H88-D123 IonicContact CE1-OD2 3.71Å; H88-D123 PolarHBondContact CE1-OD2 3.45Å; H88-D123 IonicContact NE2-OD2 3.9Å; H88-D123 PolarHBondContact NE2-OD2 2.98Å; Y107-D123 HydrophobicContact CD2-CB 4.4Å; Y107-D123 HydrophobicContact CE2-CB 3.83Å; Q119-D123 VanDerWaalsContact NE2-CG 3.3Å; Q119-D123 PolarHBondContact NE2-OD1 2.93Å; Q119-D123 PolarHBondContact NE2-OD2 3.3Å; Q119-D123 PolarHBondContact O-N 3Å; V120-D123 PolarHBondContact O-N 3.06Å; D123-V126 PolarHBondContact O-N 2.88Å; D123-L127 PolarHBondContact O-N 3.23Å; D123-L127 VanDerWaalsContact O-N 3.15Å |
| 124 | L | 97.4 | Very high | 95.2 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -63 | -47.9 | 173.8 | 177.6 | 60.6 | 0 | 0 | 0 | 111.6 | I104 Y107 L108 L111 V120 R122 V126 L127 Q128 I140 | I104-L124 HydrophobicContact CB-CD1 4.32Å; I104-L124 HydrophobicContact CG1-CD1 4.11Å; I104-L124 HydrophobicContact CG2-CD1 3.89Å; Y107-L124 HydrophobicContact CD2-CB 4.21Å; Y107-L124 HydrophobicContact CD2-CD1 4.45Å; L108-L124 HydrophobicContact CD2-CD2 3.82Å; L111-L124 HydrophobicContact CD1-CB 4.49Å; L111-L124 HydrophobicContact CD1-CD2 3.39Å; V120-L124 VanDerWaalsContact O-CB 3.26Å; V120-L124 WeakPolarHBondContact O-CB 3.48Å; V120-L124 PolarHBondContact O-N 3.18Å; R122-L124 VanDerWaalsContact C-N 3.32Å; R122-L124 PolarHBondContact O-N 3.09Å; L124-V126 PolarHBondContact O-N 3.26Å; L124-L127 PolarHBondContact O-N 3.35Å; L124-L127 VanDerWaalsContact O-N 3.14Å; L124-Q128 HydrophobicContact CD1-CG 3.88Å; L124-Q128 HydrophobicContact CG-CG 4.23Å; L124-Q128 WeakPolarHBondContact O-CG 3.39Å; L124-Q128 PolarHBondContact O-N 2.94Å; L124-I140 HydrophobicContact CD2-CD1 3.69Å; L124-I140 HydrophobicContact CD2-CG1 3.8Å; L124-I140 HydrophobicContact CG-CG1 4.27Å |
| 125 | S | 96.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60.4 | -33 | -179.9 | 74.6 | 0 | 0 | 0 | 0 | 112.7 | L121 R122 M129 C137 R141 | L121-S125 WeakPolarHBondContact O-CB 3.29Å; L121-S125 PolarHBondContact O-N 3.47Å; L121-S125 PolarHBondContact O-OG 2.98Å; R122-S125 PolarHBondContact O-N 3.12Å; R122-S125 PolarHBondContact O-OG 3.29Å; S125-M129 WeakPolarHBondContact O-CB 3.28Å; S125-M129 PolarHBondContact O-N 3.43Å; S125-M129 VanDerWaalsContact O-N 3.11Å; S125-C137 PolarHBondContact O-SG 3.4Å; S125-C137 VanDerWaalsContact O-SG 3.38Å; S125-R141 PolarHBondContact OG-NE 2.98Å; S125-R141 PolarHBondContact OG-NH2 3.44Å |
| 126 | V | 96 | Very high | 95.6 | Very high | 7 Ų | 7 | 39.6 Ų | 39.6 | 4% | 0.042 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -68.8 | -46.3 | 176.3 | 167.9 | 0 | 0 | 0 | 0 | 110.5 | R122 D123 L124 M129 Q130 L533 H536 S537 | R122-V126 WeakPolarHBondContact O-CG2 3.14Å; R122-V126 PolarHBondContact O-N 2.88Å; D123-V126 PolarHBondContact O-N 2.88Å; L124-V126 PolarHBondContact O-N 3.26Å; V126-M129 VanDerWaalsContact O-CB 3.32Å; V126-M129 WeakPolarHBondContact O-CB 3.47Å; V126-M129 PolarHBondContact O-N 3.28Å; V126-Q130 PolarHBondContact O-N 3.27Å; V126-L533 HydrophobicContact CG1-CD1 3.58Å; V126-L533 HydrophobicContact CG1-CG 4.4Å; V126-H536 HydrophobicContact CG1-CB 4.12Å; V126-H536 HydrophobicContact CG2-CB 4.34Å; V126-H536 PolarHBondContact O-CD2 3.44Å; V126-H536 VanDerWaalsContact O-CD2 3.32Å; V126-S537 VanDerWaalsContact CG2-OG 3.24Å; V126-S537 WeakPolarHBondContact CG2-OG 3.45Å |
| 127 | L | 96.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -69.9 | -35.3 | 178.4 | -66.8 | -166.3 | 0 | 0 | 0 | 113.7 | K95 Y100 A103 I104 Y107 D123 L124 M129 Q130 L131 L533 | K95-L127 HydrophobicContact CD-CD2 4.21Å; K95-L127 HydrophobicContact CG-CD2 4.16Å; Y100-L127 HydrophobicContact CD1-CD2 3.68Å; Y100-L127 HydrophobicContact CE1-CD2 4.25Å; Y100-L127 HydrophobicContact CG-CD2 4.41Å; A103-L127 HydrophobicContact CB-CD1 3.48Å; A103-L127 VanDerWaalsContact CB-CD1 3.48Å; I104-L127 HydrophobicContact CD1-CB 4.03Å; I104-L127 HydrophobicContact CG1-CB 3.72Å; I104-L127 HydrophobicContact CG1-CD1 4.15Å; Y107-L127 HydrophobicContact CD2-CD1 3.95Å; Y107-L127 HydrophobicContact CE2-CD1 3.37Å; Y107-L127 HydrophobicContact CE2-CG 4.01Å; D123-L127 PolarHBondContact O-N 3.23Å; D123-L127 VanDerWaalsContact O-N 3.15Å; L124-L127 PolarHBondContact O-N 3.35Å; L124-L127 VanDerWaalsContact O-N 3.14Å; L127-M129 VanDerWaalsContact C-N 3.28Å; L127-Q130 WeakPolarHBondContact O-CB 2.92Å; L127-Q130 PolarHBondContact O-N 3.44Å; L127-L131 PolarHBondContact O-N 3.32Å; L127-L533 HydrophobicContact CD2-CD1 3.77Å |
| 128 | Q | 97.2 | Very high | 95.9 | Very high | 9 Ų | 9 | 35.8 Ų | 35.8 | 4% | 0.042 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -64.8 | -37.9 | 173.6 | -72.7 | -179.9 | -56.9 | 0 | 0 | 111 | I104 L124 L131 R132 D133 G136 C137 I140 | I104-Q128 HydrophobicContact CD1-CG 4.37Å; L124-Q128 HydrophobicContact CD1-CG 3.88Å; L124-Q128 HydrophobicContact CG-CG 4.23Å; L124-Q128 WeakPolarHBondContact O-CG 3.39Å; L124-Q128 PolarHBondContact O-N 2.94Å; Q128-L131 PolarHBondContact O-N 2.68Å; Q128-R132 PolarHBondContact O-N 2.64Å; Q128-R132 VanDerWaalsContact O-N 3.1Å; Q128-D133 HydrophobicContact CB-CB 4.16Å; Q128-D133 HydrophobicContact CG-CB 4.39Å; Q128-D133 PolarHBondContact NE2-OD2 3.36Å; Q128-D133 PolarHBondContact O-N 2.93Å; Q128-G136 VanDerWaalsContact NE2-CA 3.32Å; Q128-G136 PolarHBondContact NE2-O 2.98Å; Q128-G136 PolarHBondContact OE1-O 3.33Å; Q128-C137 HydrophobicContact CB-CB 3.85Å; Q128-I140 VanDerWaalsContact OE1-CG1 3.28Å |
| 129 | M | 95.5 | Very high | 96 | Very high | 3 Ų | 3 | 37.4 Ų | 37.4 | 2% | 0.015 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -59 | -51.5 | 170.2 | -131.9 | -41.4 | -56.8 | 0 | 0 | 110.5 | S125 V126 L127 L131 R132 Y134 I161 L164 H536 L552 | S125-M129 WeakPolarHBondContact O-CB 3.28Å; S125-M129 PolarHBondContact O-N 3.43Å; S125-M129 VanDerWaalsContact O-N 3.11Å; V126-M129 VanDerWaalsContact O-CB 3.32Å; V126-M129 WeakPolarHBondContact O-CB 3.47Å; V126-M129 PolarHBondContact O-N 3.28Å; L127-M129 VanDerWaalsContact C-N 3.28Å; M129-L131 PolarHBondContact O-N 3.38Å; M129-L131 VanDerWaalsContact O-N 3.16Å; M129-R132 PolarHBondContact O-N 3Å; M129-R132 PolarHBondContact O-NH1 2.98Å; M129-R132 VanDerWaalsContact O-NH1 3.15Å; M129-Y134 HydrophobicContact SD-CD1 4.28Å; M129-Y134 HydrophobicContact SD-CE1 3.65Å; M129-I161 HydrophobicContact CG-CD1 4.43Å; M129-L164 HydrophobicContact SD-CD1 4.26Å; M129-H536 WeakPolarHBondContact CE-CE1 3.38Å; M129-H536 WeakPolarHBondContact CE-ND1 3.48Å; M129-L552 HydrophobicContact CE-CD1 4.21Å; M129-L552 HydrophobicContact CE-CD2 3.16Å; M129-L552 HydrophobicContact CE-CG 4.34Å; M129-L552 HydrophobicContact SD-CD1 4.3Å; M129-L552 HydrophobicContact SD-CD2 4.25Å |
| 130 | Q | 95.1 | Very high | 96.2 | Very high | 18 Ų | 18 | 34.4 Ų | 34.4 | 8% | 0.084 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -52.4 | -40.4 | -179.3 | -175.5 | 67.5 | 30.8 | 0 | 0 | 111.9 | Y100 V126 L127 R132 L529 L533 H536 | Y100-Q130 HydrophobicContact CD2-CG 3.94Å; Y100-Q130 HydrophobicContact CE2-CG 3.93Å; Y100-Q130 HydrophobicContact CG-CG 4.4Å; V126-Q130 PolarHBondContact O-N 3.27Å; L127-Q130 WeakPolarHBondContact O-CB 2.92Å; L127-Q130 PolarHBondContact O-N 3.44Å; Q130-R132 PolarHBondContact O-NH1 3.46Å; Q130-L529 PolarHBondContact NE2-O 3.48Å; Q130-L533 HydrophobicContact CB-CD1 4.29Å; Q130-L533 HydrophobicContact CG-CD1 4.38Å; Q130-H536 WeakPolarHBondContact CA-NE2 3.31Å; Q130-H536 PolarHBondContact N-NE2 3.26Å; Q130-H536 PolarHBondContact OE1-NE2 3.08Å |
| 131 | L | 94.2 | Very high | 96.2 | Very high | 68 Ų | 68 | 35.4 Ų | 35.4 | 36% | 0.356 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | 6.5 | 179.3 | -62.5 | -170.7 | 0 | 0 | 0 | 115 | Y100 E101 I104 L127 Q128 M129 D133 | Y100-L131 HydrophobicContact CD2-CD2 4.15Å; E101-L131 HydrophobicContact CG-CD1 3.81Å; I104-L131 HydrophobicContact CD1-CD1 3.48Å; I104-L131 VanDerWaalsContact CD1-CD1 3.48Å; I104-L131 HydrophobicContact CD1-CG 4.22Å; L127-L131 PolarHBondContact O-N 3.32Å; Q128-L131 PolarHBondContact O-N 2.68Å; M129-L131 PolarHBondContact O-N 3.38Å; M129-L131 VanDerWaalsContact O-N 3.16Å; L131-D133 PolarHBondContact O-N 3.23Å |
| 132 | R | 94.7 | Very high | 96.2 | Very high | 56 Ų | 56 | 40.6 Ų | 40.6 | 21% | 0.211 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.7 | 24 | -177.3 | -50.5 | -60.9 | -173.2 | -97.5 | -1.8 | 114.2 | Q128 M129 Q130 Y134 D556 | Q128-R132 PolarHBondContact O-N 2.64Å; Q128-R132 VanDerWaalsContact O-N 3.1Å; M129-R132 PolarHBondContact O-N 3Å; M129-R132 PolarHBondContact O-NH1 2.98Å; M129-R132 VanDerWaalsContact O-NH1 3.15Å; Q130-R132 PolarHBondContact O-NH1 3.46Å; R132-Y134 HydrophobicContact CB-CE2 4.4Å; R132-Y134 VanDerWaalsContact CD-OH 3.26Å; R132-Y134 WeakPolarHBondContact CD-OH 3.46Å; R132-Y134 PolarHBondContact O-N 3.15Å; R132-D556 IonicContact CZ-OD1 3.81Å; R132-D556 IonicContact NE-OD1 3.12Å; R132-D556 PolarHBondContact NE-OD1 2.95Å; R132-D556 IonicContact NE-OD2 2.76Å; R132-D556 IonicContact NH2-OD1 3.76Å; R132-D556 PolarHBondContact NH2-OD1 3.34Å |
| 133 | D | 96.6 | Very high | 96.3 | Very high | 63 Ų | 63 | 38.9 Ų | 38.9 | 34% | 0.337 | 18% | 0.181 | S | C | . | . | trans | -76.1 | 69.1 | 168.2 | 175.9 | 23.3 | 0 | 0 | 0 | 109.6 | Q128 L131 E135 G136 C137 | Q128-D133 HydrophobicContact CB-CB 4.16Å; Q128-D133 HydrophobicContact CG-CB 4.39Å; Q128-D133 PolarHBondContact NE2-OD2 3.36Å; Q128-D133 PolarHBondContact O-N 2.93Å; L131-D133 PolarHBondContact O-N 3.23Å; D133-E135 VanDerWaalsContact C-N 3.32Å; D133-E135 PolarHBondContact O-N 3.49Å; D133-G136 WeakPolarHBondContact OD1-CA 3.4Å; D133-G136 PolarHBondContact OD1-N 3.24Å; D133-C137 WeakPolarHBondContact O-CB 3.43Å; D133-C137 PolarHBondContact O-N 2.9Å | ||
| 134 | Y | 97.4 | Very high | 96.3 | Very high | 41 Ų | 41 | 38.4 Ų | 38.4 | 16% | 0.161 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -66.2 | -34.7 | -177.6 | -61.3 | -45.2 | 0 | 0 | 0 | 112.4 | M129 R132 C137 R138 I161 L164 | M129-Y134 HydrophobicContact SD-CD1 4.28Å; M129-Y134 HydrophobicContact SD-CE1 3.65Å; R132-Y134 HydrophobicContact CB-CE2 4.4Å; R132-Y134 VanDerWaalsContact CD-OH 3.26Å; R132-Y134 WeakPolarHBondContact CD-OH 3.46Å; R132-Y134 PolarHBondContact O-N 3.15Å; Y134-C137 PolarHBondContact O-N 2.91Å; Y134-R138 WeakPolarHBondContact O-CB 3.21Å; Y134-R138 PolarHBondContact O-N 3.17Å; Y134-I161 VanDerWaalsContact O-CG2 3.3Å; Y134-I161 WeakPolarHBondContact O-CG2 3.42Å; Y134-L164 HydrophobicContact CD1-CB 4.28Å; Y134-L164 HydrophobicContact CD1-CD1 4.2Å; Y134-L164 HydrophobicContact CD2-CB 4.48Å; Y134-L164 HydrophobicContact CE1-CB 4.1Å; Y134-L164 HydrophobicContact CE1-CD1 3.63Å; Y134-L164 HydrophobicContact CE1-CG 4.42Å; Y134-L164 HydrophobicContact CE2-CB 4.32Å; Y134-L164 HydrophobicContact CG-CB 4.45Å |
| 135 | E | 96.6 | Very high | 96.2 | Very high | 136 Ų | 136 | 39.1 Ų | 39.1 | 64% | 0.636 | 18% | 0.181 | S | C | * | . | H | α-helix | trans | -64.7 | -50 | 177.9 | -64.3 | -169.1 | 153.3 | 0 | 0 | 111.1 | D133 C137 R138 L165 | D133-E135 VanDerWaalsContact C-N 3.32Å; D133-E135 PolarHBondContact O-N 3.49Å; E135-C137 VanDerWaalsContact C-N 3.33Å; E135-C137 PolarHBondContact O-N 3.44Å; E135-R138 WeakPolarHBondContact O-CB 3.32Å; E135-R138 PolarHBondContact O-N 3.23Å; E135-L165 HydrophobicContact CG-CD2 4.16Å |
| 136 | G | 95.7 | Very high | 96.2 | Very high | 16 Ų | 16 | 44.2 Ų | 44.2 | 17% | 0.165 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63.3 | -39.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q128 D133 R138 D139 I140 | Q128-G136 VanDerWaalsContact NE2-CA 3.32Å; Q128-G136 PolarHBondContact NE2-O 2.98Å; Q128-G136 PolarHBondContact OE1-O 3.33Å; D133-G136 WeakPolarHBondContact OD1-CA 3.4Å; D133-G136 PolarHBondContact OD1-N 3.24Å; G136-R138 VanDerWaalsContact C-N 3.34Å; G136-R138 PolarHBondContact O-N 2.93Å; G136-D139 PolarHBondContact O-N 2.94Å; G136-I140 WeakPolarHBondContact O-CG1 3.36Å; G136-I140 PolarHBondContact O-N 3.39Å |
| 137 | C | 96.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -64.6 | -36 | 179.2 | -167.3 | 0 | 0 | 0 | 0 | 112.6 | S125 Q128 D133 Y134 E135 D139 I140 R141 I161 | S125-C137 PolarHBondContact O-SG 3.4Å; S125-C137 VanDerWaalsContact O-SG 3.38Å; Q128-C137 HydrophobicContact CB-CB 3.85Å; D133-C137 WeakPolarHBondContact O-CB 3.43Å; D133-C137 PolarHBondContact O-N 2.9Å; Y134-C137 PolarHBondContact O-N 2.91Å; E135-C137 VanDerWaalsContact C-N 3.33Å; E135-C137 PolarHBondContact O-N 3.44Å; C137-D139 VanDerWaalsContact C-N 3.33Å; C137-D139 PolarHBondContact O-N 3.47Å; C137-I140 PolarHBondContact O-N 3.01Å; C137-R141 WeakPolarHBondContact O-CB 3.44Å; C137-R141 VanDerWaalsContact O-CG 3.31Å; C137-R141 WeakPolarHBondContact O-CG 3.43Å; C137-R141 PolarHBondContact O-N 2.64Å; C137-I161 HydrophobicContact CB-CD1 4.18Å; C137-I161 HydrophobicContact CB-CG1 4.46Å |
| 138 | R | 97.5 | Very high | 96.1 | Very high | 80 Ų | 80 | 52.1 Ų | 52.1 | 30% | 0.302 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -55.4 | -49 | 177.3 | -179.2 | -162.3 | 65.8 | -154 | -6.9 | 111.2 | Y134 E135 G136 I140 R141 Y142 Y158 I161 L165 | Y134-R138 WeakPolarHBondContact O-CB 3.21Å; Y134-R138 PolarHBondContact O-N 3.17Å; E135-R138 WeakPolarHBondContact O-CB 3.32Å; E135-R138 PolarHBondContact O-N 3.23Å; G136-R138 VanDerWaalsContact C-N 3.34Å; G136-R138 PolarHBondContact O-N 2.93Å; R138-I140 VanDerWaalsContact C-N 3.33Å; R138-I140 PolarHBondContact O-N 3.48Å; R138-R141 PolarHBondContact O-N 3.38Å; R138-Y142 WeakPolarHBondContact O-CB 3.42Å; R138-Y142 PolarHBondContact O-N 3.27Å; R138-Y158 HydrophobicContact CG-CE2 4.1Å; R138-I161 HydrophobicContact CB-CG2 3.71Å; R138-I161 HydrophobicContact CG-CG2 4.46Å; R138-L165 HydrophobicContact CB-CD1 4.17Å; R138-L165 HydrophobicContact CG-CD1 4.4Å |
| 139 | D | 96.3 | Very high | 95.9 | Very high | 79 Ų | 79 | 55 Ų | 55 | 42% | 0.422 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -66.7 | -38.2 | -176.3 | -64.2 | -10.4 | 0 | 0 | 0 | 111.1 | G136 C137 K143 | G136-D139 PolarHBondContact O-N 2.94Å; C137-D139 VanDerWaalsContact C-N 3.33Å; C137-D139 PolarHBondContact O-N 3.47Å; D139-K143 WeakPolarHBondContact O-CG 3.4Å; D139-K143 PolarHBondContact O-N 3.19Å |
| 140 | I | 96.7 | Very high | 95.7 | Very high | 13 Ų | 13 | 60 Ų | 60 | 7% | 0.067 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -68.9 | -42.2 | 175.6 | -60.2 | -54.4 | 0 | 0 | 0 | 111.6 | L111 L121 L124 Q128 G136 C137 R138 Y142 K143 L144 | L111-I140 HydrophobicContact CD1-CD1 4.46Å; L121-I140 HydrophobicContact CB-CG2 4.23Å; L121-I140 HydrophobicContact CD2-CD1 4.07Å; L121-I140 HydrophobicContact CD2-CG2 4.04Å; L121-I140 WeakPolarHBondContact O-CG2 3.35Å; L124-I140 HydrophobicContact CD2-CD1 3.69Å; L124-I140 HydrophobicContact CD2-CG1 3.8Å; L124-I140 HydrophobicContact CG-CG1 4.27Å; Q128-I140 VanDerWaalsContact OE1-CG1 3.28Å; G136-I140 WeakPolarHBondContact O-CG1 3.36Å; G136-I140 PolarHBondContact O-N 3.39Å; C137-I140 PolarHBondContact O-N 3.01Å; R138-I140 VanDerWaalsContact C-N 3.33Å; R138-I140 PolarHBondContact O-N 3.48Å; I140-Y142 VanDerWaalsContact C-N 3.34Å; I140-Y142 PolarHBondContact O-N 2.86Å; I140-K143 PolarHBondContact O-N 3.23Å; I140-L144 HydrophobicContact CG2-CD1 4.35Å; I140-L144 WeakPolarHBondContact O-CG 3.49Å; I140-L144 PolarHBondContact O-N 3.5Å |
| 141 | R | 96.6 | Very high | 95.5 | Very high | 21 Ų | 21 | 62.9 Ų | 62.9 | 8% | 0.079 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -66.5 | -35.5 | 177.5 | -73.1 | -69.7 | -179.6 | 176.4 | -0.7 | 112.4 | S125 C137 R138 L144 L145 Y158 I161 L540 | S125-R141 PolarHBondContact OG-NE 2.98Å; S125-R141 PolarHBondContact OG-NH2 3.44Å; C137-R141 WeakPolarHBondContact O-CB 3.44Å; C137-R141 VanDerWaalsContact O-CG 3.31Å; C137-R141 WeakPolarHBondContact O-CG 3.43Å; C137-R141 PolarHBondContact O-N 2.64Å; R138-R141 PolarHBondContact O-N 3.38Å; R141-L144 PolarHBondContact O-N 3.46Å; R141-L145 PolarHBondContact O-N 3.34Å; R141-Y158 HydrophobicContact CB-CD2 4.22Å; R141-I161 HydrophobicContact CG-CG1 4.02Å; R141-L540 VanDerWaalsContact CZ-CD1 3.44Å; R141-L540 VanDerWaalsContact NH1-CD1 3.34Å; R141-L540 VanDerWaalsContact NH2-CD1 3.25Å |
| 142 | Y | 97.2 | Very high | 95.3 | Very high | 110 Ų | 110 | 62.2 Ų | 62.2 | 43% | 0.431 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -62.2 | -45.7 | 172.3 | -176.3 | -115.6 | 0 | 0 | 0 | 111.8 | R138 I140 L144 L145 L146 Y158 | R138-Y142 WeakPolarHBondContact O-CB 3.42Å; R138-Y142 PolarHBondContact O-N 3.27Å; I140-Y142 VanDerWaalsContact C-N 3.34Å; I140-Y142 PolarHBondContact O-N 2.86Å; Y142-L144 VanDerWaalsContact C-N 3.34Å; Y142-L144 PolarHBondContact O-N 3.26Å; Y142-L145 WeakPolarHBondContact O-CB 3.3Å; Y142-L145 PolarHBondContact O-N 2.88Å; Y142-L146 HydrophobicContact CD1-CD1 4.11Å; Y142-L146 HydrophobicContact CE1-CD1 3.64Å; Y142-L146 HydrophobicContact CE1-CG 4.26Å; Y142-L146 HydrophobicContact CE2-CD2 4.42Å; Y142-L146 HydrophobicContact CE2-CG 4.47Å; Y142-L146 WeakPolarHBondContact O-CG 3.32Å; Y142-L146 PolarHBondContact O-N 2.85Å; Y142-Y158 HydrophobicContact CD2-CE1 4.09Å; Y142-Y158 AromaticContact CD2-CE2 3.99Å; Y142-Y158 HydrophobicContact CD2-CE2 3.99Å; Y142-Y158 AromaticContact CD2-CZ 3.69Å; Y142-Y158 HydrophobicContact CG-CE2 4.25Å |
| 143 | K | 96.4 | Very high | 95.2 | Very high | 77 Ų | 77 | 61 Ų | 61 | 34% | 0.335 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -58.9 | -43.6 | 173.8 | -71.9 | -179.6 | 179.9 | -175.4 | 0 | 112.3 | N115 L121 D139 I140 L145 L146 L147 | N115-K143 PolarHBondContact OD1-NZ 3.15Å; L121-K143 HydrophobicContact CD2-CD 4.31Å; D139-K143 WeakPolarHBondContact O-CG 3.4Å; D139-K143 PolarHBondContact O-N 3.19Å; I140-K143 PolarHBondContact O-N 3.23Å; K143-L145 VanDerWaalsContact C-N 3.3Å; K143-L145 PolarHBondContact O-N 3Å; K143-L146 PolarHBondContact O-N 3.45Å; K143-L147 WeakPolarHBondContact O-CG 3.34Å; K143-L147 PolarHBondContact O-N 3.46Å |
| 144 | L | 96.1 | Very high | 95.1 | Very high | 9 Ų | 9 | 58.3 Ų | 58.3 | 5% | 0.047 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -61.1 | -38.4 | 176.8 | -75.8 | 168.9 | 0 | 0 | 0 | 112.3 | L118 L121 R122 I140 R141 Y142 R148 | L118-L144 HydrophobicContact CD2-CD2 4.1Å; L121-L144 HydrophobicContact CB-CD1 4.44Å; L121-L144 HydrophobicContact CB-CD2 3.7Å; L121-L144 HydrophobicContact CB-CG 4.03Å; L121-L144 HydrophobicContact CD1-CD2 4.27Å; R122-L144 HydrophobicContact CG-CD1 4.16Å; R122-L144 HydrophobicContact CG-CD2 3.9Å; I140-L144 HydrophobicContact CG2-CD1 4.35Å; I140-L144 WeakPolarHBondContact O-CG 3.49Å; I140-L144 PolarHBondContact O-N 3.5Å; R141-L144 PolarHBondContact O-N 3.46Å; Y142-L144 VanDerWaalsContact C-N 3.34Å; Y142-L144 PolarHBondContact O-N 3.26Å; L144-R148 PolarHBondContact O-N 3.35Å |
| 145 | L | 96 | Very high | 95 | Very high | 15 Ų | 15 | 59.1 Ų | 59.1 | 8% | 0.079 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -62.8 | -46.3 | 173.9 | 177.2 | 61.1 | 0 | 0 | 0 | 112.3 | R141 Y142 K143 L147 R148 P149 W155 Y158 | R141-L145 PolarHBondContact O-N 3.34Å; Y142-L145 WeakPolarHBondContact O-CB 3.3Å; Y142-L145 PolarHBondContact O-N 2.88Å; K143-L145 VanDerWaalsContact C-N 3.3Å; K143-L145 PolarHBondContact O-N 3Å; L145-L147 PolarHBondContact O-N 3.28Å; L145-R148 CarbonylContact O-C 3.35Å; L145-R148 PolarHBondContact O-N 2.87Å; L145-P149 WeakPolarHBondContact O-CA 3.48Å; L145-P149 WeakPolarHBondContact O-CD 3.34Å; L145-W155 HydrophobicContact CD1-CB 4.5Å; L145-W155 HydrophobicContact CD1-CD2 3.5Å; L145-W155 VanDerWaalsContact CD1-CD2 3.5Å; L145-W155 HydrophobicContact CD1-CE3 4Å; L145-W155 HydrophobicContact CD1-CG 3.73Å; L145-W155 HydrophobicContact CD1-CH2 4.44Å; L145-W155 HydrophobicContact CD1-CZ2 4.01Å; L145-W155 HydrophobicContact CD1-CZ3 4.44Å; L145-W155 HydrophobicContact CD2-CE3 4.3Å; L145-W155 HydrophobicContact CD2-CZ3 4.41Å; L145-Y158 HydrophobicContact CD2-CD1 3.75Å; L145-Y158 HydrophobicContact CD2-CE1 4.41Å; L145-Y158 HydrophobicContact CD2-CG 4.22Å |
| 146 | L | 96.2 | Very high | 95 | Very high | 108 Ų | 108 | 52.8 Ų | 52.8 | 57% | 0.565 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -62.5 | -40.4 | 177.7 | -66.6 | 178.3 | 0 | 0 | 0 | 112.7 | Y142 K143 | Y142-L146 HydrophobicContact CD1-CD1 4.11Å; Y142-L146 HydrophobicContact CE1-CD1 3.64Å; Y142-L146 HydrophobicContact CE1-CG 4.26Å; Y142-L146 HydrophobicContact CE2-CD2 4.42Å; Y142-L146 HydrophobicContact CE2-CG 4.47Å; Y142-L146 WeakPolarHBondContact O-CG 3.32Å; Y142-L146 PolarHBondContact O-N 2.85Å; K143-L146 PolarHBondContact O-N 3.45Å |
| 147 | L | 96 | Very high | 95 | Very high | 59 Ų | 59 | 52.1 Ų | 52.1 | 31% | 0.309 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -77 | -30.7 | -178.7 | -66.4 | 170.5 | 0 | 0 | 0 | 113 | E116 L118 L121 K143 L145 | E116-L147 HydrophobicContact CB-CD1 4.3Å; E116-L147 HydrophobicContact CB-CD2 4.3Å; E116-L147 HydrophobicContact CG-CD2 4.25Å; L118-L147 HydrophobicContact CD2-CB 3.72Å; L118-L147 HydrophobicContact CD2-CD1 3.72Å; L118-L147 HydrophobicContact CD2-CG 4.37Å; L121-L147 HydrophobicContact CD1-CD1 3.65Å; K143-L147 WeakPolarHBondContact O-CG 3.34Å; K143-L147 PolarHBondContact O-N 3.46Å; L145-L147 PolarHBondContact O-N 3.28Å |
| 148 | R | 93.7 | Very high | 95 | Very high | 114 Ų | 114 | 53.8 Ų | 53.8 | 43% | 0.43 | 26% | 0.264 | S | S | . | . | trans | -136.3 | 67.1 | -177.9 | -67.3 | -64.6 | -172.1 | 163.8 | -0.1 | 111.6 | L118 L144 L145 S150 Q151 S154 | L118-R148 HydrophobicContact CD1-CG 4.02Å; L118-R148 VanDerWaalsContact CD1-NE 3.32Å; L118-R148 HydrophobicContact CD2-CG 4.01Å; L144-R148 PolarHBondContact O-N 3.35Å; L145-R148 CarbonylContact O-C 3.35Å; L145-R148 PolarHBondContact O-N 2.87Å; R148-S150 PolarHBondContact O-N 2.93Å; R148-Q151 HydrophobicContact CB-CB 4.47Å; R148-Q151 HydrophobicContact CB-CG 4.19Å; R148-Q151 PolarHBondContact O-N 3.31Å; R148-S154 WeakPolarHBondContact O-CB 3.34Å; R148-S154 PolarHBondContact O-OG 2.89Å | ||
| 149 | P | 92.4 | Very high | 95.1 | Very high | 70 Ų | 70 | 50 Ų | 50 | 46% | 0.455 | 25% | 0.25 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | -18.9 | 179.2 | 28.9 | -35.7 | 0 | 0 | 0 | 112.6 | L145 Q151 W155 | L145-P149 WeakPolarHBondContact O-CA 3.48Å; L145-P149 WeakPolarHBondContact O-CD 3.34Å; P149-Q151 PolarHBondContact O-N 3.43Å; P149-W155 PolarHBondContact O-NE1 3.38Å |
| 150 | S | 91.2 | Very high | 95.1 | Very high | 107 Ų | 107 | 46.4 Ų | 46.4 | 75% | 0.748 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.5 | -11 | 176.6 | 69.3 | 0 | 0 | 0 | 0 | 113.6 | R148 | R148-S150 PolarHBondContact O-N 2.93Š|
| 151 | Q | 90.6 | Very high | 95.2 | Very high | 79 Ų | 79 | 45.9 Ų | 45.9 | 37% | 0.369 | 23% | 0.228 | S | C | . | . | trans | -95.8 | 119.9 | -177.4 | -67.7 | -177 | 25.4 | 0 | 0 | 110.7 | R148 P149 A153 S154 | R148-Q151 HydrophobicContact CB-CB 4.47Å; R148-Q151 HydrophobicContact CB-CG 4.19Å; R148-Q151 PolarHBondContact O-N 3.31Å; P149-Q151 PolarHBondContact O-N 3.43Å; Q151-A153 VanDerWaalsContact C-N 3.25Å; Q151-A153 PolarHBondContact O-N 3.41Å; Q151-S154 WeakPolarHBondContact O-CB 3.48Å; Q151-S154 PolarHBondContact O-N 2.9Å | ||
| 152 | K | 91.2 | Very high | 95.3 | Very high | 54 Ų | 54 | 45.2 Ų | 45.2 | 24% | 0.235 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -48.5 | -45.2 | 172.4 | 172.5 | 174.2 | 70.7 | 170.2 | 0 | 113.1 | S154 W155 I156 F178 E191 V543 | K152-S154 PolarHBondContact O-N 3.31Å; K152-W155 PolarHBondContact O-N 3.04Å; K152-W155 VanDerWaalsContact O-N 3.13Å; K152-I156 HydrophobicContact CD-CD1 3.87Å; K152-I156 HydrophobicContact CG-CD1 3.42Å; K152-I156 VanDerWaalsContact CG-CD1 3.42Å; K152-I156 HydrophobicContact CG-CG1 4.05Å; K152-I156 WeakPolarHBondContact O-CG1 3.44Å; K152-I156 PolarHBondContact O-N 3.12Å; K152-F178 HydrophobicContact CB-CE2 3.96Å; K152-F178 HydrophobicContact CB-CZ 3.63Å; K152-F178 HydrophobicContact CD-CE1 4.26Å; K152-F178 HydrophobicContact CD-CZ 3.88Å; K152-F178 HydrophobicContact CG-CE1 3.88Å; K152-F178 HydrophobicContact CG-CE2 4.17Å; K152-F178 HydrophobicContact CG-CZ 3.4Å; K152-E191 IonicContact NZ-OE1 3.73Å; K152-E191 PolarHBondContact NZ-OE1 3.48Å; K152-E191 IonicContact NZ-OE2 3.95Å; K152-E191 PolarHBondContact NZ-OE2 2.92Å; K152-V543 HydrophobicContact CD-CG2 3.84Å; K152-V543 VanDerWaalsContact CE-CG2 3.42Å |
| 153 | A | 92.6 | Very high | 95.3 | Very high | 29 Ų | 29 | 40.1 Ų | 40.1 | 24% | 0.24 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -60.6 | -26.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q151 G157 L540 | Q151-A153 VanDerWaalsContact C-N 3.25Å; Q151-A153 PolarHBondContact O-N 3.41Å; A153-G157 WeakPolarHBondContact O-CA 3.14Å; A153-G157 PolarHBondContact O-N 3.47Å; A153-L540 HydrophobicContact CB-CB 4.45Å |
| 154 | S | 94.4 | Very high | 95.4 | Very high | 7 Ų | 7 | 37.9 Ų | 37.9 | 5% | 0.049 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -70.4 | -44.4 | 175.8 | -53.3 | 0 | 0 | 0 | 0 | 111.6 | R148 Q151 K152 Y158 | R148-S154 WeakPolarHBondContact O-CB 3.34Å; R148-S154 PolarHBondContact O-OG 2.89Å; Q151-S154 WeakPolarHBondContact O-CB 3.48Å; Q151-S154 PolarHBondContact O-N 2.9Å; K152-S154 PolarHBondContact O-N 3.31Å; S154-Y158 WeakPolarHBondContact O-CB 3.39Å; S154-Y158 PolarHBondContact O-N 3.41Å; S154-Y158 VanDerWaalsContact O-N 3.11Å |
| 155 | W | 95.9 | Very high | 95.4 | Very high | 58 Ų | 58 | 39.8 Ų | 39.8 | 22% | 0.22 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -65.5 | -52 | 177 | -70.3 | 93.1 | 0 | 0 | 0 | 111.8 | L145 P149 K152 G157 Y158 A159 V174 E177 F178 | L145-W155 HydrophobicContact CD1-CB 4.5Å; L145-W155 HydrophobicContact CD1-CD2 3.5Å; L145-W155 VanDerWaalsContact CD1-CD2 3.5Å; L145-W155 HydrophobicContact CD1-CE3 4Å; L145-W155 HydrophobicContact CD1-CG 3.73Å; L145-W155 HydrophobicContact CD1-CH2 4.44Å; L145-W155 HydrophobicContact CD1-CZ2 4.01Å; L145-W155 HydrophobicContact CD1-CZ3 4.44Å; L145-W155 HydrophobicContact CD2-CE3 4.3Å; L145-W155 HydrophobicContact CD2-CZ3 4.41Å; P149-W155 PolarHBondContact O-NE1 3.38Å; K152-W155 PolarHBondContact O-N 3.04Å; K152-W155 VanDerWaalsContact O-N 3.13Å; W155-G157 VanDerWaalsContact C-N 3.32Å; W155-G157 PolarHBondContact O-N 3.38Å; W155-Y158 PolarHBondContact O-N 2.86Å; W155-A159 PolarHBondContact O-N 3.41Å; W155-V174 HydrophobicContact CE3-CG1 3.88Å; W155-E177 HydrophobicContact CH2-CB 4.32Å; W155-E177 HydrophobicContact CZ3-CB 3.85Å; W155-F178 HydrophobicContact CB-CB 3.84Å; W155-F178 HydrophobicContact CB-CD2 3.78Å; W155-F178 HydrophobicContact CB-CG 3.78Å; W155-F178 AromaticContact CD1-CD2 3.47Å; W155-F178 VanDerWaalsContact CD1-CD2 3.47Å; W155-F178 HydrophobicContact CD2-CB 3.81Å; W155-F178 HydrophobicContact CD2-CD2 4.11Å; W155-F178 HydrophobicContact CD2-CG 4.34Å; W155-F178 HydrophobicContact CE3-CB 3.87Å; W155-F178 HydrophobicContact CG-CB 3.81Å; W155-F178 AromaticContact CG-CD2 3.5Å; W155-F178 HydrophobicContact CG-CD2 3.5Å; W155-F178 HydrophobicContact CG-CE2 4.4Å; W155-F178 AromaticContact CG-CG 3.87Å; W155-F178 HydrophobicContact CG-CG 3.87Å |
| 156 | I | 95.5 | Very high | 95.5 | Very high | 4 Ų | 4 | 40.5 Ų | 40.5 | 2% | 0.021 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -61.4 | -44.2 | 179.6 | -65.5 | -178.7 | 0 | 0 | 0 | 110.3 | K152 Y158 A159 L160 L540 V543 L545 | K152-I156 HydrophobicContact CD-CD1 3.87Å; K152-I156 HydrophobicContact CG-CD1 3.42Å; K152-I156 VanDerWaalsContact CG-CD1 3.42Å; K152-I156 HydrophobicContact CG-CG1 4.05Å; K152-I156 WeakPolarHBondContact O-CG1 3.44Å; K152-I156 PolarHBondContact O-N 3.12Å; I156-Y158 VanDerWaalsContact C-N 3.31Å; I156-Y158 PolarHBondContact O-N 2.94Å; I156-A159 PolarHBondContact O-N 3.27Å; I156-L160 VanDerWaalsContact O-CB 3.26Å; I156-L160 WeakPolarHBondContact O-CB 3.44Å; I156-L160 PolarHBondContact O-N 2.74Å; I156-L540 HydrophobicContact CG2-CD2 3.86Å; I156-V543 HydrophobicContact CD1-CB 4.42Å; I156-V543 HydrophobicContact CD1-CG1 3.94Å; I156-V543 HydrophobicContact CD1-CG2 3.68Å; I156-L545 HydrophobicContact CG2-CD1 3.75Å; I156-L545 HydrophobicContact CG2-CD2 3.43Å; I156-L545 VanDerWaalsContact CG2-CD2 3.43Å; I156-L545 HydrophobicContact CG2-CG 4.23Å |
| 157 | G | 96 | Very high | 95.6 | Very high | 1 Ų | 1 | 38.5 Ų | 38.5 | 1% | 0.01 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -59.6 | -40.6 | 178 | 0 | 0 | 0 | 0 | 0 | 112.6 | A153 W155 I161 | A153-G157 WeakPolarHBondContact O-CA 3.14Å; A153-G157 PolarHBondContact O-N 3.47Å; W155-G157 VanDerWaalsContact C-N 3.32Å; W155-G157 PolarHBondContact O-N 3.38Å; G157-I161 WeakPolarHBondContact O-CG1 3.35Å; G157-I161 PolarHBondContact O-N 3.03Å |
| 158 | Y | 97.8 | Very high | 95.7 | Very high | 35 Ų | 35 | 38.9 Ų | 38.9 | 14% | 0.137 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -70.5 | -44.4 | 177.1 | -175.3 | -122.5 | 0 | 0 | 0 | 112.6 | R138 R141 Y142 L145 S154 W155 I156 L160 I161 H162 V174 | R138-Y158 HydrophobicContact CG-CE2 4.1Å; R141-Y158 HydrophobicContact CB-CD2 4.22Å; Y142-Y158 HydrophobicContact CD2-CE1 4.09Å; Y142-Y158 AromaticContact CD2-CE2 3.99Å; Y142-Y158 HydrophobicContact CD2-CE2 3.99Å; Y142-Y158 AromaticContact CD2-CZ 3.69Å; Y142-Y158 HydrophobicContact CG-CE2 4.25Å; L145-Y158 HydrophobicContact CD2-CD1 3.75Å; L145-Y158 HydrophobicContact CD2-CE1 4.41Å; L145-Y158 HydrophobicContact CD2-CG 4.22Å; S154-Y158 WeakPolarHBondContact O-CB 3.39Å; S154-Y158 PolarHBondContact O-N 3.41Å; S154-Y158 VanDerWaalsContact O-N 3.11Å; W155-Y158 PolarHBondContact O-N 2.86Å; I156-Y158 VanDerWaalsContact C-N 3.31Å; I156-Y158 PolarHBondContact O-N 2.94Å; Y158-L160 VanDerWaalsContact C-N 3.34Å; Y158-L160 PolarHBondContact O-N 3.24Å; Y158-I161 PolarHBondContact O-N 3.11Å; Y158-H162 AromaticContact CE1-CD2 3.95Å; Y158-H162 AromaticContact CE1-NE2 3.95Å; Y158-H162 AromaticContact CE2-CD2 3.56Å; Y158-H162 AromaticContact CE2-NE2 3.3Å; Y158-H162 VanDerWaalsContact CE2-NE2 3.3Å; Y158-H162 WeakPolarHBondContact CE2-NE2 3.39Å; Y158-H162 AromaticContact CZ-CD2 3.54Å; Y158-H162 AromaticContact CZ-NE2 3.15Å; Y158-H162 PolarHBondContact O-CD2 3.16Å; Y158-H162 PolarHBondContact O-N 3.14Å; Y158-H162 PolarHBondContact OH-NE2 3.11Å; Y158-V174 HydrophobicContact CD1-CB 4.43Å; Y158-V174 HydrophobicContact CD1-CG1 3.89Å; Y158-V174 HydrophobicContact CD1-CG2 3.63Å; Y158-V174 HydrophobicContact CE1-CG2 3.67Å |
| 159 | A | 97.7 | Very high | 95.9 | Very high | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.008 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -60.4 | -42.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | W155 I156 I161 H162 H163 A171 V174 I175 | W155-A159 PolarHBondContact O-N 3.41Å; I156-A159 PolarHBondContact O-N 3.27Å; A159-I161 PolarHBondContact O-N 3.49Å; A159-H162 PolarHBondContact O-N 3.41Å; A159-H163 PolarHBondContact O-N 3.49Å; A159-A171 WeakPolarHBondContact O-CB 3.41Å; A159-V174 HydrophobicContact CB-CB 4.14Å; A159-V174 HydrophobicContact CB-CG1 3.87Å; A159-I175 HydrophobicContact CB-CD1 4.15Å; A159-I175 HydrophobicContact CB-CG1 3.65Å |
| 160 | L | 97.8 | Very high | 96.1 | Very high | 3 Ų | 3 | 38.2 Ų | 38.2 | 2% | 0.016 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -58.7 | -45.8 | 177.8 | 174.4 | 70 | 0 | 0 | 0 | 111.9 | I156 Y158 H162 H163 L164 Y198 L540 Y548 V549 | I156-L160 VanDerWaalsContact O-CB 3.26Å; I156-L160 WeakPolarHBondContact O-CB 3.44Å; I156-L160 PolarHBondContact O-N 2.74Å; Y158-L160 VanDerWaalsContact C-N 3.34Å; Y158-L160 PolarHBondContact O-N 3.24Å; L160-H162 VanDerWaalsContact C-N 3.31Å; L160-H162 PolarHBondContact O-N 3.15Å; L160-H163 WeakPolarHBondContact O-CB 3.4Å; L160-H163 PolarHBondContact O-N 3.16Å; L160-H163 VanDerWaalsContact O-N 3.17Å; L160-L164 HydrophobicContact CD1-CD1 4.23Å; L160-L164 HydrophobicContact CD1-CG 4.24Å; L160-L164 HydrophobicContact CG-CD1 4.08Å; L160-L164 HydrophobicContact CG-CG 4.44Å; L160-L164 WeakPolarHBondContact O-CG 3.39Å; L160-L164 PolarHBondContact O-N 3.42Å; L160-Y198 WeakPolarHBondContact CD1-OH 3.45Å; L160-L540 HydrophobicContact CD2-CD2 3.78Å; L160-Y548 HydrophobicContact CD2-CD1 3.73Å; L160-Y548 HydrophobicContact CD2-CE1 3.32Å; L160-V549 HydrophobicContact CD1-CG2 3.61Å |
| 161 | I | 97.9 | Very high | 96.4 | Very high | 2 Ų | 2 | 33.1 Ų | 33.1 | 1% | 0.01 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -65.1 | -38.3 | 179.6 | -62.2 | -55.2 | 0 | 0 | 0 | 111.1 | M129 Y134 C137 R138 R141 G157 Y158 A159 H163 L164 L165 | M129-I161 HydrophobicContact CG-CD1 4.43Å; Y134-I161 VanDerWaalsContact O-CG2 3.3Å; Y134-I161 WeakPolarHBondContact O-CG2 3.42Å; C137-I161 HydrophobicContact CB-CD1 4.18Å; C137-I161 HydrophobicContact CB-CG1 4.46Å; R138-I161 HydrophobicContact CB-CG2 3.71Å; R138-I161 HydrophobicContact CG-CG2 4.46Å; R141-I161 HydrophobicContact CG-CG1 4.02Å; G157-I161 WeakPolarHBondContact O-CG1 3.35Å; G157-I161 PolarHBondContact O-N 3.03Å; Y158-I161 PolarHBondContact O-N 3.11Å; A159-I161 PolarHBondContact O-N 3.49Å; I161-H163 VanDerWaalsContact C-N 3.33Å; I161-H163 PolarHBondContact O-N 2.68Å; I161-L164 HydrophobicContact CD1-CD1 4.42Å; I161-L164 PolarHBondContact O-N 3.18Å; I161-L165 HydrophobicContact CG2-CD1 3.96Å; I161-L165 HydrophobicContact CG2-CG 4.42Å; I161-L165 WeakPolarHBondContact O-CB 3.2Å; I161-L165 WeakPolarHBondContact O-CG 3.4Å; I161-L165 PolarHBondContact O-N 2.86Å |
| 162 | H | 98.4 | Very high | 96.8 | Very high | 7 Ų | 7 | 29.8 Ų | 29.8 | 3% | 0.032 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -63.2 | -39.3 | 172.9 | -86.3 | -75.8 | 0 | 0 | 0 | 112.5 | Y158 A159 L160 L165 G166 N167 I170 A171 | Y158-H162 AromaticContact CE1-CD2 3.95Å; Y158-H162 AromaticContact CE1-NE2 3.95Å; Y158-H162 AromaticContact CE2-CD2 3.56Å; Y158-H162 AromaticContact CE2-NE2 3.3Å; Y158-H162 VanDerWaalsContact CE2-NE2 3.3Å; Y158-H162 WeakPolarHBondContact CE2-NE2 3.39Å; Y158-H162 AromaticContact CZ-CD2 3.54Å; Y158-H162 AromaticContact CZ-NE2 3.15Å; Y158-H162 PolarHBondContact O-CD2 3.16Å; Y158-H162 PolarHBondContact O-N 3.14Å; Y158-H162 PolarHBondContact OH-NE2 3.11Å; A159-H162 PolarHBondContact O-N 3.41Å; L160-H162 VanDerWaalsContact C-N 3.31Å; L160-H162 PolarHBondContact O-N 3.15Å; H162-L165 PolarHBondContact O-N 2.93Å; H162-G166 PolarHBondContact O-N 3.28Å; H162-N167 HydrophobicContact CB-CB 4.14Å; H162-N167 WeakPolarHBondContact ND1-CB 3.48Å; H162-N167 WeakPolarHBondContact O-CA 3.42Å; H162-N167 WeakPolarHBondContact O-CB 3.36Å; H162-N167 PolarHBondContact O-N 2.86Å; H162-I170 HydrophobicContact CB-CB 4.46Å; H162-I170 HydrophobicContact CB-CG2 4.45Å; H162-A171 HydrophobicContact CB-CB 3.95Å |
| 163 | H | 98.4 | Very high | 97.1 | Very high | 3 Ų | 3 | 30.8 Ų | 30.8 | 1% | 0.014 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -60.7 | -49.2 | 172.8 | 174.3 | -165.8 | 0 | 0 | 0 | 111.4 | A159 L160 I161 L165 G166 Y168 A171 Y198 I202 E205 | A159-H163 PolarHBondContact O-N 3.49Å; L160-H163 WeakPolarHBondContact O-CB 3.4Å; L160-H163 PolarHBondContact O-N 3.16Å; L160-H163 VanDerWaalsContact O-N 3.17Å; I161-H163 VanDerWaalsContact C-N 3.33Å; I161-H163 PolarHBondContact O-N 2.68Å; H163-L165 PolarHBondContact O-N 2.71Å; H163-G166 PolarHBondContact O-N 2.9Å; H163-Y168 AromaticContact CD2-CE1 3.9Å; H163-A171 HydrophobicContact CB-CB 4.2Å; H163-Y198 AromaticContact CE1-CE2 3.78Å; H163-Y198 AromaticContact ND1-CE2 3.45Å; H163-Y198 WeakPolarHBondContact ND1-CE2 3.27Å; H163-Y198 AromaticContact ND1-CZ 3.36Å; H163-Y198 PolarHBondContact ND1-OH 2.89Å; H163-I202 HydrophobicContact CB-CD1 4.28Å; H163-I202 HydrophobicContact CB-CG1 4.3Å; H163-E205 IonicContact CD2-OE2 3.48Å; H163-E205 IonicContact NE2-OE1 2.76Å; H163-E205 IonicContact NE2-OE2 2.95Å; H163-E205 PolarHBondContact NE2-OE2 2.81Å |
| 164 | L | 97.1 | Very high | 97.3 | Very high | 31 Ų | 31 | 30 Ų | 30 | 16% | 0.162 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -64.2 | -27.1 | 179.3 | -65.5 | 173.8 | 0 | 0 | 0 | 113.5 | M129 Y134 L160 I161 G166 V549 L552 | M129-L164 HydrophobicContact SD-CD1 4.26Å; Y134-L164 HydrophobicContact CD1-CB 4.28Å; Y134-L164 HydrophobicContact CD1-CD1 4.2Å; Y134-L164 HydrophobicContact CD2-CB 4.48Å; Y134-L164 HydrophobicContact CE1-CB 4.1Å; Y134-L164 HydrophobicContact CE1-CD1 3.63Å; Y134-L164 HydrophobicContact CE1-CG 4.42Å; Y134-L164 HydrophobicContact CE2-CB 4.32Å; Y134-L164 HydrophobicContact CG-CB 4.45Å; L160-L164 HydrophobicContact CD1-CD1 4.23Å; L160-L164 HydrophobicContact CD1-CG 4.24Å; L160-L164 HydrophobicContact CG-CD1 4.08Å; L160-L164 HydrophobicContact CG-CG 4.44Å; L160-L164 WeakPolarHBondContact O-CG 3.39Å; L160-L164 PolarHBondContact O-N 3.42Å; I161-L164 HydrophobicContact CD1-CD1 4.42Å; I161-L164 PolarHBondContact O-N 3.18Å; L164-G166 VanDerWaalsContact C-N 3.29Å; L164-V549 HydrophobicContact CD2-CG1 4.47Å; L164-V549 HydrophobicContact CD2-CG2 4.47Å; L164-L552 HydrophobicContact CD1-CD1 3.81Å; L164-L552 HydrophobicContact CD2-CD1 4.16Å |
| 165 | L | 97.3 | Very high | 97.4 | Very high | 48 Ų | 48 | 29.9 Ų | 29.9 | 25% | 0.251 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | -2.9 | 172.1 | -73.6 | 169.8 | 0 | 0 | 0 | 113.9 | E135 R138 I161 H162 H163 N167 | E135-L165 HydrophobicContact CG-CD2 4.16Å; R138-L165 HydrophobicContact CB-CD1 4.17Å; R138-L165 HydrophobicContact CG-CD1 4.4Å; I161-L165 HydrophobicContact CG2-CD1 3.96Å; I161-L165 HydrophobicContact CG2-CG 4.42Å; I161-L165 WeakPolarHBondContact O-CB 3.2Å; I161-L165 WeakPolarHBondContact O-CG 3.4Å; I161-L165 PolarHBondContact O-N 2.86Å; H162-L165 PolarHBondContact O-N 2.93Å; H163-L165 PolarHBondContact O-N 2.71Å; L165-N167 VanDerWaalsContact C-N 3.28Å; L165-N167 PolarHBondContact O-N 3.15Å |
| 166 | G | 97.3 | Very high | 97.4 | Very high | 30 Ų | 30 | 30.1 Ų | 30.1 | 31% | 0.309 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 76.6 | 9.2 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | H162 H163 L164 Y168 | H162-G166 PolarHBondContact O-N 3.28Å; H163-G166 PolarHBondContact O-N 2.9Å; L164-G166 VanDerWaalsContact C-N 3.29Å; G166-Y168 VanDerWaalsContact C-N 3.26Å; G166-Y168 VanDerWaalsContact O-CD2 3.29Å; G166-Y168 WeakPolarHBondContact O-CD2 3.26Å; G166-Y168 WeakPolarHBondContact O-CE2 3.42Å; G166-Y168 PolarHBondContact O-N 3.5Å |
| 167 | N | 97.9 | Very high | 97.3 | Very high | 66 Ų | 66 | 34.1 Ų | 34.1 | 35% | 0.353 | 18% | 0.179 | S | C | . | . | trans | -85.5 | 62.4 | 178.4 | -66.4 | -46.6 | 0 | 0 | 0 | 111.2 | H162 L165 E169 I170 A171 | H162-N167 HydrophobicContact CB-CB 4.14Å; H162-N167 WeakPolarHBondContact ND1-CB 3.48Å; H162-N167 WeakPolarHBondContact O-CA 3.42Å; H162-N167 WeakPolarHBondContact O-CB 3.36Å; H162-N167 PolarHBondContact O-N 2.86Å; L165-N167 VanDerWaalsContact C-N 3.28Å; L165-N167 PolarHBondContact O-N 3.15Å; N167-E169 PolarHBondContact O-N 3.18Å; N167-I170 HydrophobicContact CB-CD1 4.36Å; N167-I170 PolarHBondContact O-N 2.87Å; N167-A171 PolarHBondContact O-N 3.26Å; N167-A171 VanDerWaalsContact O-N 3.15Å | ||
| 168 | Y | 98.4 | Very high | 97.2 | Very high | 68 Ų | 68 | 35.1 Ų | 35.1 | 27% | 0.267 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -61.4 | -39.9 | -168.7 | -49.2 | -64.2 | 0 | 0 | 0 | 114.3 | H163 G166 I170 A171 L172 I202 E205 A206 | H163-Y168 AromaticContact CD2-CE1 3.9Å; G166-Y168 VanDerWaalsContact C-N 3.26Å; G166-Y168 VanDerWaalsContact O-CD2 3.29Å; G166-Y168 WeakPolarHBondContact O-CD2 3.26Å; G166-Y168 WeakPolarHBondContact O-CE2 3.42Å; G166-Y168 PolarHBondContact O-N 3.5Å; Y168-I170 VanDerWaalsContact C-N 3.33Å; Y168-I170 PolarHBondContact O-N 3.15Å; Y168-A171 WeakPolarHBondContact O-CB 3.22Å; Y168-A171 PolarHBondContact O-N 3.31Å; Y168-L172 WeakPolarHBondContact O-CG 3.35Å; Y168-L172 PolarHBondContact O-N 3.42Å; Y168-I202 HydrophobicContact CD1-CG2 4.14Å; Y168-E205 HydrophobicContact CD1-CB 4.38Å; Y168-E205 HydrophobicContact CE1-CB 3.8Å; Y168-E205 WeakPolarHBondContact CE2-O 3.43Å; Y168-A206 HydrophobicContact CD2-CB 3.85Å; Y168-A206 HydrophobicContact CG-CB 3.82Å |
| 169 | E | 97.6 | Very high | 96.9 | Very high | 94 Ų | 94 | 36 Ų | 36 | 44% | 0.439 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -59.4 | -42.9 | 179 | -63.7 | -52.8 | 133.9 | 0 | 0 | 112.7 | N167 T173 K208 | N167-E169 PolarHBondContact O-N 3.18Å; E169-T173 WeakPolarHBondContact O-CB 3.44Å; E169-T173 PolarHBondContact O-N 3.38Å; E169-T173 PolarHBondContact O-OG1 3.15Å; E169-K208 WeakPolarHBondContact OE1-CE 3.49Å; E169-K208 IonicContact OE1-NZ 3.59Å; E169-K208 PolarHBondContact OE1-NZ 3.15Å; E169-K208 IonicContact OE2-NZ 2.72Å; E169-K208 PolarHBondContact OE2-NZ 3.32Å |
| 170 | I | 97.5 | Very high | 96.5 | Very high | 75 Ų | 75 | 43.3 Ų | 43.3 | 39% | 0.385 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -68.7 | -44.1 | 179.4 | -58.4 | 176.1 | 0 | 0 | 0 | 109 | H162 N167 Y168 L172 T173 V174 | H162-I170 HydrophobicContact CB-CB 4.46Å; H162-I170 HydrophobicContact CB-CG2 4.45Å; N167-I170 HydrophobicContact CB-CD1 4.36Å; N167-I170 PolarHBondContact O-N 2.87Å; Y168-I170 VanDerWaalsContact C-N 3.33Å; Y168-I170 PolarHBondContact O-N 3.15Å; I170-L172 PolarHBondContact O-N 2.82Å; I170-T173 PolarHBondContact O-N 3.15Å; I170-V174 HydrophobicContact CG2-CG2 4.23Å; I170-V174 VanDerWaalsContact O-CG2 3.22Å; I170-V174 WeakPolarHBondContact O-CG2 3.43Å; I170-V174 PolarHBondContact O-N 2.97Å |
| 171 | A | 98.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -56.6 | -48.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | A159 H162 H163 N167 Y168 V174 I175 I202 | A159-A171 WeakPolarHBondContact O-CB 3.41Å; H162-A171 HydrophobicContact CB-CB 3.95Å; H163-A171 HydrophobicContact CB-CB 4.2Å; N167-A171 PolarHBondContact O-N 3.26Å; N167-A171 VanDerWaalsContact O-N 3.15Å; Y168-A171 WeakPolarHBondContact O-CB 3.22Å; Y168-A171 PolarHBondContact O-N 3.31Å; A171-V174 PolarHBondContact O-N 3.12Å; A171-I175 VanDerWaalsContact O-CG1 3.31Å; A171-I175 WeakPolarHBondContact O-CG1 3.42Å; A171-I175 PolarHBondContact O-N 3.39Å; A171-I202 HydrophobicContact CB-CD1 4.29Å; A171-I202 HydrophobicContact CB-CG2 4.42Å |
| 172 | L | 98.1 | Very high | 95.2 | Very high | 10 Ų | 10 | 49 Ų | 49 | 5% | 0.052 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -63.7 | -41.9 | 177.5 | -69.5 | 172.4 | 0 | 0 | 0 | 112.4 | Y168 I170 V174 I175 N176 Q199 I202 M203 | Y168-L172 WeakPolarHBondContact O-CG 3.35Å; Y168-L172 PolarHBondContact O-N 3.42Å; I170-L172 PolarHBondContact O-N 2.82Å; L172-V174 PolarHBondContact O-N 3.16Å; L172-I175 PolarHBondContact O-N 3.44Å; L172-N176 WeakPolarHBondContact O-CB 3.41Å; L172-N176 VanDerWaalsContact O-CG 3.27Å; L172-N176 PolarHBondContact O-N 3.42Å; L172-N176 PolarHBondContact O-ND2 3.42Å; L172-Q199 HydrophobicContact CD2-CB 4.45Å; L172-I202 HydrophobicContact CD1-CG2 4.19Å; L172-I202 HydrophobicContact CD2-CB 3.93Å; L172-I202 HydrophobicContact CD2-CG2 3.77Å; L172-I202 HydrophobicContact CG-CB 4.4Å; L172-I202 HydrophobicContact CG-CG2 3.67Å; L172-M203 HydrophobicContact CD1-CG 3.72Å; L172-M203 HydrophobicContact CD2-CE 4.03Å; L172-M203 HydrophobicContact CD2-CG 3.82Å; L172-M203 HydrophobicContact CG-CG 4.45Å |
| 173 | T | 97.7 | Very high | 93.8 | Very high | 75 Ų | 75 | 54.7 Ų | 54.7 | 46% | 0.46 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -59.8 | -47.2 | 176.9 | -59 | 0 | 0 | 0 | 0 | 110.9 | E169 I170 I175 N176 E177 | E169-T173 WeakPolarHBondContact O-CB 3.44Å; E169-T173 PolarHBondContact O-N 3.38Å; E169-T173 PolarHBondContact O-OG1 3.15Å; I170-T173 PolarHBondContact O-N 3.15Å; T173-I175 VanDerWaalsContact C-N 3.35Å; T173-I175 PolarHBondContact O-N 3.38Å; T173-N176 PolarHBondContact O-N 2.95Å; T173-E177 WeakPolarHBondContact O-CG 3.39Å; T173-E177 PolarHBondContact O-N 2.89Å |
| 174 | V | 96.9 | Very high | 92.8 | Very high | 13 Ų | 13 | 63.1 Ų | 63.1 | 8% | 0.079 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -60.7 | -43.3 | 178.3 | 172.9 | 0 | 0 | 0 | 0 | 111.2 | W155 Y158 A159 I170 A171 L172 E177 F178 | W155-V174 HydrophobicContact CE3-CG1 3.88Å; Y158-V174 HydrophobicContact CD1-CB 4.43Å; Y158-V174 HydrophobicContact CD1-CG1 3.89Å; Y158-V174 HydrophobicContact CD1-CG2 3.63Å; Y158-V174 HydrophobicContact CE1-CG2 3.67Å; A159-V174 HydrophobicContact CB-CB 4.14Å; A159-V174 HydrophobicContact CB-CG1 3.87Å; I170-V174 HydrophobicContact CG2-CG2 4.23Å; I170-V174 VanDerWaalsContact O-CG2 3.22Å; I170-V174 WeakPolarHBondContact O-CG2 3.43Å; I170-V174 PolarHBondContact O-N 2.97Å; A171-V174 PolarHBondContact O-N 3.12Å; L172-V174 PolarHBondContact O-N 3.16Å; V174-E177 PolarHBondContact O-N 2.96Å; V174-F178 WeakPolarHBondContact O-CB 2.97Å; V174-F178 PolarHBondContact O-N 3.41Å |
| 175 | I | 96.4 | Very high | 92.1 | Very high | 4 Ų | 4 | 64.7 Ų | 64.7 | 2% | 0.021 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -65.8 | -40.9 | 177.6 | -61.1 | 165.1 | 0 | 0 | 0 | 110.9 | A159 A171 L172 T173 F178 K179 L195 Y198 Q199 I202 | A159-I175 HydrophobicContact CB-CD1 4.15Å; A159-I175 HydrophobicContact CB-CG1 3.65Å; A171-I175 VanDerWaalsContact O-CG1 3.31Å; A171-I175 WeakPolarHBondContact O-CG1 3.42Å; A171-I175 PolarHBondContact O-N 3.39Å; L172-I175 PolarHBondContact O-N 3.44Å; T173-I175 VanDerWaalsContact C-N 3.35Å; T173-I175 PolarHBondContact O-N 3.38Å; I175-F178 WeakPolarHBondContact O-CB 3.35Å; I175-F178 PolarHBondContact O-N 3.3Å; I175-K179 HydrophobicContact CG2-CD 4.18Å; I175-K179 HydrophobicContact CG2-CG 4.45Å; I175-K179 WeakPolarHBondContact O-CG 3.2Å; I175-K179 PolarHBondContact O-N 2.99Å; I175-L195 HydrophobicContact CG2-CD1 3.8Å; I175-L195 HydrophobicContact CG2-CD2 4.06Å; I175-L195 HydrophobicContact CG2-CG 3.94Å; I175-Y198 HydrophobicContact CD1-CD1 4.06Å; I175-Y198 HydrophobicContact CD1-CE1 4.05Å; I175-Q199 HydrophobicContact CB-CG 4.28Å; I175-Q199 HydrophobicContact CD1-CG 4.04Å; I175-Q199 VanDerWaalsContact CG2-CD 3.46Å; I175-Q199 HydrophobicContact CG2-CG 3.59Å; I175-I202 HydrophobicContact CD1-CD1 3.63Å |
| 176 | N | 95.3 | Very high | 91.5 | Very high | 63 Ų | 63 | 66.4 Ų | 66.4 | 34% | 0.337 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -64.8 | -41.2 | 178 | -73.9 | -26.4 | 0 | 0 | 0 | 112.2 | L172 T173 K179 K180 Q199 | L172-N176 WeakPolarHBondContact O-CB 3.41Å; L172-N176 VanDerWaalsContact O-CG 3.27Å; L172-N176 PolarHBondContact O-N 3.42Å; L172-N176 PolarHBondContact O-ND2 3.42Å; T173-N176 PolarHBondContact O-N 2.95Å; N176-K179 PolarHBondContact O-N 3.37Å; N176-K180 WeakPolarHBondContact O-CG 3.45Å; N176-K180 PolarHBondContact O-N 3.34Å; N176-Q199 PolarHBondContact OD1-NE2 3.26Å |
| 177 | E | 94.4 | Very high | 90.7 | Very high | 87 Ų | 87 | 72.7 Ų | 72.7 | 41% | 0.407 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -63.5 | -40.7 | 173.4 | -69.9 | -52.1 | 125.8 | 0 | 0 | 111.9 | W155 T173 V174 K179 K180 G181 | W155-E177 HydrophobicContact CH2-CB 4.32Å; W155-E177 HydrophobicContact CZ3-CB 3.85Å; T173-E177 WeakPolarHBondContact O-CG 3.39Å; T173-E177 PolarHBondContact O-N 2.89Å; V174-E177 PolarHBondContact O-N 2.96Å; E177-K179 PolarHBondContact O-N 3.47Å; E177-K180 PolarHBondContact O-N 2.98Å; E177-K180 IonicContact OE1-NZ 2.69Å; E177-K180 PolarHBondContact OE1-NZ 3.43Å; E177-K180 IonicContact OE2-NZ 3.99Å; E177-G181 PolarHBondContact O-N 3.17Å |
| 178 | F | 93.7 | Very high | 90.1 | Very high | 23 Ų | 23 | 76.5 Ų | 76.5 | 10% | 0.101 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -59.6 | -44.9 | 173.7 | 172.4 | -118.4 | 0 | 0 | 0 | 112.1 | K152 W155 V174 I175 G181 Q182 L195 | K152-F178 HydrophobicContact CB-CE2 3.96Å; K152-F178 HydrophobicContact CB-CZ 3.63Å; K152-F178 HydrophobicContact CD-CE1 4.26Å; K152-F178 HydrophobicContact CD-CZ 3.88Å; K152-F178 HydrophobicContact CG-CE1 3.88Å; K152-F178 HydrophobicContact CG-CE2 4.17Å; K152-F178 HydrophobicContact CG-CZ 3.4Å; W155-F178 HydrophobicContact CB-CB 3.84Å; W155-F178 HydrophobicContact CB-CD2 3.78Å; W155-F178 HydrophobicContact CB-CG 3.78Å; W155-F178 AromaticContact CD1-CD2 3.47Å; W155-F178 VanDerWaalsContact CD1-CD2 3.47Å; W155-F178 HydrophobicContact CD2-CB 3.81Å; W155-F178 HydrophobicContact CD2-CD2 4.11Å; W155-F178 HydrophobicContact CD2-CG 4.34Å; W155-F178 HydrophobicContact CE3-CB 3.87Å; W155-F178 HydrophobicContact CG-CB 3.81Å; W155-F178 AromaticContact CG-CD2 3.5Å; W155-F178 HydrophobicContact CG-CD2 3.5Å; W155-F178 HydrophobicContact CG-CE2 4.4Å; W155-F178 AromaticContact CG-CG 3.87Å; W155-F178 HydrophobicContact CG-CG 3.87Å; V174-F178 WeakPolarHBondContact O-CB 2.97Å; V174-F178 PolarHBondContact O-N 3.41Å; I175-F178 WeakPolarHBondContact O-CB 3.35Å; I175-F178 PolarHBondContact O-N 3.3Å; F178-G181 PolarHBondContact O-N 2.93Å; F178-Q182 HydrophobicContact CZ-CG 4.5Å; F178-L195 HydrophobicContact CD1-CD2 3.99Å; F178-L195 HydrophobicContact CE1-CD2 3.95Å |
| 179 | K | 90.9 | Very high | 89.7 | Confident | 54 Ų | 54 | 75.3 Ų | 75.3 | 24% | 0.235 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -62.9 | -40.5 | 178.3 | -73.4 | 173.5 | 70.2 | -177 | 0 | 112.6 | I175 N176 E177 G181 Q182 L195 L196 | I175-K179 HydrophobicContact CG2-CD 4.18Å; I175-K179 HydrophobicContact CG2-CG 4.45Å; I175-K179 WeakPolarHBondContact O-CG 3.2Å; I175-K179 PolarHBondContact O-N 2.99Å; N176-K179 PolarHBondContact O-N 3.37Å; E177-K179 PolarHBondContact O-N 3.47Å; K179-G181 PolarHBondContact O-N 3.42Å; K179-Q182 WeakPolarHBondContact O-CB 3.28Å; K179-Q182 PolarHBondContact O-N 2.92Å; K179-L195 HydrophobicContact CG-CD2 4.21Å; K179-L196 VanDerWaalsContact NZ-CD2 3.34Å |
| 180 | K | 89.6 | Confident | 89.6 | Confident | 153 Ų | 153 | 76.4 Ų | 76.4 | 67% | 0.665 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -58.5 | -29.4 | 176.8 | -73 | 173 | -174.6 | 172.7 | 0 | 113.1 | N176 E177 Q182 | N176-K180 WeakPolarHBondContact O-CG 3.45Å; N176-K180 PolarHBondContact O-N 3.34Å; E177-K180 PolarHBondContact O-N 2.98Å; E177-K180 IonicContact OE1-NZ 2.69Å; E177-K180 PolarHBondContact OE1-NZ 3.43Å; E177-K180 IonicContact OE2-NZ 3.99Å; K180-Q182 VanDerWaalsContact C-N 3.33Å |
| 181 | G | 86 | Confident | 89.4 | Confident | 64 Ų | 64 | 75.8 Ų | 75.8 | 66% | 0.66 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82 | -2.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | E177 F178 K179 | E177-G181 PolarHBondContact O-N 3.17Å; F178-G181 PolarHBondContact O-N 2.93Å; K179-G181 PolarHBondContact O-N 3.42Å |
| 182 | Q | 81.6 | Confident | 89.2 | Confident | 60 Ų | 60 | 76.3 Ų | 76.3 | 28% | 0.28 | 40% | 0.397 | S | S | . | . | trans | -87.1 | 123.1 | 179.8 | -63.7 | -176.3 | -11.4 | 0 | 0 | 110.8 | F178 K179 K180 | F178-Q182 HydrophobicContact CZ-CG 4.5Å; K179-Q182 WeakPolarHBondContact O-CB 3.28Å; K179-Q182 PolarHBondContact O-N 2.92Å; K180-Q182 VanDerWaalsContact C-N 3.33Å | ||
| 183 | S | 69.9 | Low | 89.1 | Confident | 128 Ų | 128 | 75.9 Ų | 75.9 | 90% | 0.895 | 39% | 0.394 | S | S | * | . | trans | -85.6 | -33.4 | -175.4 | -52.5 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 184 | E | 77.5 | Confident | 89 | Confident | 179 Ų | 179 | 72.4 Ų | 72.4 | 84% | 0.836 | 37% | 0.373 | S | S | * | . | trans | -153.2 | 124.4 | -177.8 | -164.7 | 170.1 | -165.7 | 0 | 0 | 110 | ||||
| 185 | I | 81.9 | Confident | 89 | Confident | 64 Ų | 64 | 72 Ų | 72 | 33% | 0.328 | 37% | 0.37 | S | S | . | . | trans | -106.2 | 119.8 | -179.7 | -57.9 | 172 | 0 | 0 | 0 | 107.4 | D189 H192 | I185-D189 HydrophobicContact CG2-CB 4.22Å; I185-H192 VanDerWaalsContact CD1-CE1 3.5Å; I185-H192 WeakPolarHBondContact CD1-CE1 3.48Å; I185-H192 HydrophobicContact CG2-CB 3.89Å | ||
| 186 | P | 84.5 | Confident | 89 | Confident | 84 Ų | 84 | 71.8 Ų | 71.8 | 55% | 0.545 | 37% | 0.369 | S | S | . | . | trans | -58.3 | 147.3 | 178.2 | -23.1 | 33 | 0 | 0 | 0 | 112.4 | F188 D189 | P186-F188 PolarHBondContact O-N 3.16Å; P186-D189 HydrophobicContact CB-CB 4.31Å; P186-D189 WeakPolarHBondContact O-CB 3.47Å; P186-D189 PolarHBondContact O-N 3.47Å | ||
| 187 | Q | 81.5 | Confident | 89.1 | Confident | 163 Ų | 163 | 68.8 Ų | 68.8 | 76% | 0.762 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | 130.8 | 171.4 | -162.6 | -174.8 | 1.2 | 0 | 0 | 109.5 | ||
| 188 | F | 84.3 | Confident | 89.3 | Confident | 146 Ų | 146 | 64.7 Ų | 64.7 | 64% | 0.64 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.5 | 34 | -176.1 | -47.7 | -73.5 | 0 | 0 | 0 | 115.1 | P186 Y190 V224 | P186-F188 PolarHBondContact O-N 3.16Å; F188-Y190 PolarHBondContact O-N 3.14Å; F188-V224 HydrophobicContact CB-CG2 3.96Å; F188-V224 HydrophobicContact CD1-CG2 4.27Å |
| 189 | D | 91.5 | Very high | 89.5 | Confident | 42 Ų | 42 | 63.6 Ų | 63.6 | 23% | 0.225 | 33% | 0.329 | C | S | . | . | trans | -68.7 | 110.7 | 172.2 | -174.4 | -3.9 | 0 | 0 | 0 | 111.6 | I185 P186 E191 H192 S193 | I185-D189 HydrophobicContact CG2-CB 4.22Å; P186-D189 HydrophobicContact CB-CB 4.31Å; P186-D189 WeakPolarHBondContact O-CB 3.47Å; P186-D189 PolarHBondContact O-N 3.47Å; D189-E191 VanDerWaalsContact C-N 3.34Å; D189-E191 PolarHBondContact O-N 3.08Å; D189-E191 PolarHBondContact OD1-N 3.29Å; D189-H192 HydrophobicContact CB-CB 3.96Å; D189-H192 PolarHBondContact O-N 2.9Å; D189-S193 WeakPolarHBondContact O-CB 3.24Å; D189-S193 PolarHBondContact O-N 3.06Å | ||
| 190 | Y | 93.7 | Very high | 89.8 | Confident | 117 Ų | 117 | 61 Ų | 61 | 46% | 0.459 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -59.8 | -40.7 | 175.7 | 169 | -95.6 | 0 | 0 | 0 | 112.6 | F188 H192 S193 E194 | F188-Y190 PolarHBondContact O-N 3.14Å; Y190-H192 VanDerWaalsContact C-N 3.31Å; Y190-H192 PolarHBondContact O-N 3.15Å; Y190-S193 WeakPolarHBondContact O-CB 3.36Å; Y190-S193 PolarHBondContact O-N 3.46Å; Y190-E194 HydrophobicContact CE1-CB 4.42Å; Y190-E194 WeakPolarHBondContact O-CB 3.29Å; Y190-E194 PolarHBondContact O-N 2.72Å |
| 191 | E | 93.3 | Very high | 90.2 | Very high | 63 Ų | 63 | 54.8 Ų | 54.8 | 29% | 0.294 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -69 | -36.4 | -175.3 | -60.2 | -176.4 | 127.3 | 0 | 0 | 110.7 | K152 D189 L195 V543 | K152-E191 IonicContact NZ-OE1 3.73Å; K152-E191 PolarHBondContact NZ-OE1 3.48Å; K152-E191 IonicContact NZ-OE2 3.95Å; K152-E191 PolarHBondContact NZ-OE2 2.92Å; D189-E191 VanDerWaalsContact C-N 3.34Å; D189-E191 PolarHBondContact O-N 3.08Å; D189-E191 PolarHBondContact OD1-N 3.29Å; E191-L195 WeakPolarHBondContact O-CB 3.38Å; E191-L195 PolarHBondContact O-N 2.87Å; E191-V543 HydrophobicContact CB-CB 4.1Å; E191-V543 HydrophobicContact CB-CG1 4.49Å; E191-V543 HydrophobicContact CB-CG2 4.16Å; E191-V543 HydrophobicContact CG-CB 4.33Å; E191-V543 HydrophobicContact CG-CG2 4.37Å |
| 192 | H | 94.2 | Very high | 90.8 | Very high | 10 Ų | 10 | 51.7 Ų | 51.7 | 5% | 0.046 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -67.9 | -46.5 | 171.4 | -179 | 61.2 | 0 | 0 | 0 | 111.7 | I185 D189 Y190 E194 L195 L196 E222 | I185-H192 VanDerWaalsContact CD1-CE1 3.5Å; I185-H192 WeakPolarHBondContact CD1-CE1 3.48Å; I185-H192 HydrophobicContact CG2-CB 3.89Å; D189-H192 HydrophobicContact CB-CB 3.96Å; D189-H192 PolarHBondContact O-N 2.9Å; Y190-H192 VanDerWaalsContact C-N 3.31Å; Y190-H192 PolarHBondContact O-N 3.15Å; H192-E194 VanDerWaalsContact C-N 3.29Å; H192-E194 PolarHBondContact O-N 3.4Å; H192-L195 WeakPolarHBondContact O-CB 3.41Å; H192-L195 PolarHBondContact O-N 3.41Å; H192-L195 VanDerWaalsContact O-N 3.15Å; H192-L196 WeakPolarHBondContact NE2-CD1 3.36Å; H192-L196 WeakPolarHBondContact O-CG 3.46Å; H192-L196 PolarHBondContact O-N 2.97Å; H192-E222 IonicContact CD2-OE2 2.64Å; H192-E222 IonicContact CE1-OE2 2.72Å; H192-E222 IonicContact NE2-OE2 3.65Å; H192-E222 PolarHBondContact NE2-OE2 3.1Å |
| 193 | S | 96 | Very high | 91.6 | Very high | 1 Ų | 1 | 49.8 Ų | 49.8 | 1% | 0.007 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -53.6 | -45.2 | 173.8 | 175.3 | 0 | 0 | 0 | 0 | 112.1 | D189 Y190 L196 L197 I223 V224 | D189-S193 WeakPolarHBondContact O-CB 3.24Å; D189-S193 PolarHBondContact O-N 3.06Å; Y190-S193 WeakPolarHBondContact O-CB 3.36Å; Y190-S193 PolarHBondContact O-N 3.46Å; S193-L196 PolarHBondContact O-N 3.42Å; S193-L197 WeakPolarHBondContact O-CG 3.34Å; S193-L197 PolarHBondContact O-N 3.24Å; S193-L197 VanDerWaalsContact O-N 3.12Å; S193-I223 WeakPolarHBondContact OG-CA 3.34Å; S193-V224 PolarHBondContact OG-N 3.4Å |
| 194 | E | 96.7 | Very high | 92.9 | Very high | 2 Ų | 2 | 45.5 Ų | 45.5 | 1% | 0.009 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -68.5 | -38.6 | 178.5 | 176.9 | 52.3 | -161.2 | 0 | 0 | 112 | Y190 H192 L196 L197 Y198 V543 L545 R546 | Y190-E194 HydrophobicContact CE1-CB 4.42Å; Y190-E194 WeakPolarHBondContact O-CB 3.29Å; Y190-E194 PolarHBondContact O-N 2.72Å; H192-E194 VanDerWaalsContact C-N 3.29Å; H192-E194 PolarHBondContact O-N 3.4Å; E194-L196 VanDerWaalsContact C-N 3.34Å; E194-L196 PolarHBondContact O-N 2.91Å; E194-L197 PolarHBondContact O-N 3.43Å; E194-Y198 VanDerWaalsContact O-CB 3.22Å; E194-Y198 WeakPolarHBondContact O-CB 3.35Å; E194-Y198 PolarHBondContact O-N 3.34Å; E194-V543 HydrophobicContact CG-CG1 4.39Å; E194-V543 WeakPolarHBondContact CG-O 3.46Å; E194-L545 PolarHBondContact OE1-N 3.41Å; E194-L545 VanDerWaalsContact OE1-N 3.11Å; E194-R546 WeakPolarHBondContact OE1-CB 3.11Å; E194-R546 WeakPolarHBondContact OE1-CG 3.49Å; E194-R546 PolarHBondContact OE1-N 3.49Å; E194-R546 IonicContact OE1-NE 3.47Å; E194-R546 PolarHBondContact OE1-NE 3.42Å; E194-R546 IonicContact OE2-CZ 3.92Å; E194-R546 IonicContact OE2-NE 2.64Å; E194-R546 PolarHBondContact OE2-NE 3.19Å; E194-R546 IonicContact OE2-NH2 2.68Å; E194-R546 PolarHBondContact OE2-NH2 3.36Å |
| 195 | L | 95.9 | Very high | 93.8 | Very high | 4 Ų | 4 | 39.6 Ų | 39.6 | 2% | 0.021 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -62.2 | -41 | 174 | -173.1 | 65.6 | 0 | 0 | 0 | 111.7 | I175 F178 K179 E191 H192 Y198 Q199 L545 | I175-L195 HydrophobicContact CG2-CD1 3.8Å; I175-L195 HydrophobicContact CG2-CD2 4.06Å; I175-L195 HydrophobicContact CG2-CG 3.94Å; F178-L195 HydrophobicContact CD1-CD2 3.99Å; F178-L195 HydrophobicContact CE1-CD2 3.95Å; K179-L195 HydrophobicContact CG-CD2 4.21Å; E191-L195 WeakPolarHBondContact O-CB 3.38Å; E191-L195 PolarHBondContact O-N 2.87Å; H192-L195 WeakPolarHBondContact O-CB 3.41Å; H192-L195 PolarHBondContact O-N 3.41Å; H192-L195 VanDerWaalsContact O-N 3.15Å; L195-Y198 PolarHBondContact O-N 3.33Å; L195-Q199 WeakPolarHBondContact O-CG 3.29Å; L195-Q199 PolarHBondContact O-N 3.44Å; L195-L545 HydrophobicContact CD1-CD1 4.03Å |
| 196 | L | 96.8 | Very high | 94.5 | Very high | 1 Ų | 1 | 37.9 Ų | 37.9 | 1% | 0.005 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -64.3 | -44.4 | 177.5 | -68.9 | 168.9 | 0 | 0 | 0 | 112.1 | K179 H192 S193 E194 Y198 Q199 A200 H215 E222 I223 | K179-L196 VanDerWaalsContact NZ-CD2 3.34Å; H192-L196 WeakPolarHBondContact NE2-CD1 3.36Å; H192-L196 WeakPolarHBondContact O-CG 3.46Å; H192-L196 PolarHBondContact O-N 2.97Å; S193-L196 PolarHBondContact O-N 3.42Å; E194-L196 VanDerWaalsContact C-N 3.34Å; E194-L196 PolarHBondContact O-N 2.91Å; L196-Y198 VanDerWaalsContact C-N 3.35Å; L196-Q199 WeakPolarHBondContact O-CB 3.35Å; L196-Q199 PolarHBondContact O-N 3.29Å; L196-A200 PolarHBondContact O-N 3.32Å; L196-A200 VanDerWaalsContact O-N 3.15Å; L196-H215 PolarHBondContact O-NE2 2.78Å; L196-E222 HydrophobicContact CD1-CB 3.75Å; L196-I223 HydrophobicContact CB-CD1 4.33Å; L196-I223 HydrophobicContact CB-CG1 4.06Å; L196-I223 HydrophobicContact CD1-CG1 3.98Å |
| 197 | L | 98.1 | Very high | 95 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -66.9 | -37.6 | 175.8 | -69.6 | 168.9 | 0 | 0 | 0 | 111.6 | S193 E194 A200 M201 L216 I223 D225 M232 R546 | S193-L197 WeakPolarHBondContact O-CG 3.34Å; S193-L197 PolarHBondContact O-N 3.24Å; S193-L197 VanDerWaalsContact O-N 3.12Å; E194-L197 PolarHBondContact O-N 3.43Å; L197-A200 WeakPolarHBondContact O-CB 3.42Å; L197-A200 PolarHBondContact O-N 3.38Å; L197-M201 PolarHBondContact O-N 2.94Å; L197-L216 HydrophobicContact CD2-CD2 3.94Å; L197-I223 HydrophobicContact CD1-CG2 3.9Å; L197-I223 HydrophobicContact CD2-CD1 4.01Å; L197-I223 HydrophobicContact CD2-CG2 4.14Å; L197-I223 HydrophobicContact CG-CD1 4.32Å; L197-I223 HydrophobicContact CG-CG1 4.48Å; L197-I223 HydrophobicContact CG-CG2 4.07Å; L197-D225 HydrophobicContact CD1-CB 3.99Å; L197-M232 HydrophobicContact CD2-SD 3.87Å; L197-R546 VanDerWaalsContact CD1-NH2 3.34Å |
| 198 | Y | 98.2 | Very high | 95.8 | Very high | 1 Ų | 1 | 32 Ų | 32 | 0% | 0.004 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -64.5 | -37.8 | 173.7 | -178.9 | -113.7 | 0 | 0 | 0 | 112.8 | L160 H163 I175 E194 L195 L196 A200 M201 I202 L545 R546 V549 | L160-Y198 WeakPolarHBondContact CD1-OH 3.45Å; H163-Y198 AromaticContact CE1-CE2 3.78Å; H163-Y198 AromaticContact ND1-CE2 3.45Å; H163-Y198 WeakPolarHBondContact ND1-CE2 3.27Å; H163-Y198 AromaticContact ND1-CZ 3.36Å; H163-Y198 PolarHBondContact ND1-OH 2.89Å; I175-Y198 HydrophobicContact CD1-CD1 4.06Å; I175-Y198 HydrophobicContact CD1-CE1 4.05Å; E194-Y198 VanDerWaalsContact O-CB 3.22Å; E194-Y198 WeakPolarHBondContact O-CB 3.35Å; E194-Y198 PolarHBondContact O-N 3.34Å; L195-Y198 PolarHBondContact O-N 3.33Å; L196-Y198 VanDerWaalsContact C-N 3.35Å; Y198-A200 VanDerWaalsContact C-N 3.34Å; Y198-A200 PolarHBondContact O-N 3.48Å; Y198-M201 HydrophobicContact CD2-SD 4.17Å; Y198-M201 HydrophobicContact CE2-SD 4.44Å; Y198-M201 WeakPolarHBondContact O-CB 3.36Å; Y198-M201 PolarHBondContact O-N 2.94Å; Y198-I202 HydrophobicContact CD1-CD1 3.84Å; Y198-I202 HydrophobicContact CE1-CD1 3.41Å; Y198-I202 VanDerWaalsContact CE1-CD1 3.41Å; Y198-I202 HydrophobicContact CE1-CG1 4.31Å; Y198-I202 HydrophobicContact CE2-CD1 4.37Å; Y198-I202 HydrophobicContact CE2-CG1 4.44Å; Y198-I202 HydrophobicContact CG-CD1 4.49Å; Y198-I202 WeakPolarHBondContact O-CG1 3.26Å; Y198-I202 PolarHBondContact O-N 3.46Å; Y198-L545 HydrophobicContact CD1-CB 4.07Å; Y198-L545 HydrophobicContact CD1-CD1 3.43Å; Y198-L545 VanDerWaalsContact CD1-CD1 3.43Å; Y198-L545 HydrophobicContact CD1-CG 4.4Å; Y198-L545 HydrophobicContact CD2-CB 3.56Å; Y198-L545 HydrophobicContact CD2-CD1 4.48Å; Y198-L545 HydrophobicContact CE1-CB 4.33Å; Y198-L545 HydrophobicContact CE1-CD1 3.82Å; Y198-L545 HydrophobicContact CE2-CB 3.86Å; Y198-L545 HydrophobicContact CG-CB 3.66Å; Y198-L545 HydrophobicContact CG-CD1 3.79Å; Y198-L545 HydrophobicContact CG-CG 4.39Å; Y198-R546 HydrophobicContact CD2-CG 4.19Å; Y198-V549 HydrophobicContact CE2-CG2 3.98Å |
| 199 | Q | 97.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -60.1 | -44.7 | 171.3 | -73.9 | -172.6 | -67.8 | 0 | 0 | 111.5 | L172 I175 N176 L195 L196 M201 I202 M203 H215 | L172-Q199 HydrophobicContact CD2-CB 4.45Å; I175-Q199 HydrophobicContact CB-CG 4.28Å; I175-Q199 HydrophobicContact CD1-CG 4.04Å; I175-Q199 VanDerWaalsContact CG2-CD 3.46Å; I175-Q199 HydrophobicContact CG2-CG 3.59Å; N176-Q199 PolarHBondContact OD1-NE2 3.26Å; L195-Q199 WeakPolarHBondContact O-CG 3.29Å; L195-Q199 PolarHBondContact O-N 3.44Å; L196-Q199 WeakPolarHBondContact O-CB 3.35Å; L196-Q199 PolarHBondContact O-N 3.29Å; Q199-M201 VanDerWaalsContact C-N 3.32Å; Q199-M201 PolarHBondContact O-N 2.81Å; Q199-I202 PolarHBondContact O-N 2.92Å; Q199-M203 VanDerWaalsContact O-CG 3.32Å; Q199-M203 WeakPolarHBondContact O-CG 3.19Å; Q199-M203 PolarHBondContact O-N 2.89Å; Q199-H215 PolarHBondContact OE1-CE1 2.98Å; Q199-H215 VanDerWaalsContact OE1-CE1 3.28Å |
| 200 | A | 98 | Very high | 96.6 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -62.9 | -38.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | L196 L197 Y198 M203 L204 L216 M232 | L196-A200 PolarHBondContact O-N 3.32Å; L196-A200 VanDerWaalsContact O-N 3.15Å; L197-A200 WeakPolarHBondContact O-CB 3.42Å; L197-A200 PolarHBondContact O-N 3.38Å; Y198-A200 VanDerWaalsContact C-N 3.34Å; Y198-A200 PolarHBondContact O-N 3.48Å; A200-M203 PolarHBondContact O-N 2.87Å; A200-L204 WeakPolarHBondContact O-CB 3.32Å; A200-L204 PolarHBondContact O-N 3.42Å; A200-L216 HydrophobicContact CB-CD1 4.26Å; A200-L216 HydrophobicContact CB-CD2 3.62Å; A200-L216 HydrophobicContact CB-CG 3.86Å; A200-M232 HydrophobicContact CB-CE 3.48Å; A200-M232 VanDerWaalsContact CB-CE 3.48Å; A200-M232 HydrophobicContact CB-SD 4.48Å |
| 201 | M | 98 | Very high | 96.8 | Very high | 21 Ų | 21 | 26.6 Ų | 26.6 | 10% | 0.103 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -59.5 | -47.9 | 173.1 | 177.5 | -171.7 | 176.5 | 0 | 0 | 111.3 | L197 Y198 Q199 M203 L204 E205 R546 V549 R553 | L197-M201 PolarHBondContact O-N 2.94Å; Y198-M201 HydrophobicContact CD2-SD 4.17Å; Y198-M201 HydrophobicContact CE2-SD 4.44Å; Y198-M201 WeakPolarHBondContact O-CB 3.36Å; Y198-M201 PolarHBondContact O-N 2.94Å; Q199-M201 VanDerWaalsContact C-N 3.32Å; Q199-M201 PolarHBondContact O-N 2.81Å; M201-M203 PolarHBondContact O-N 3.18Å; M201-L204 WeakPolarHBondContact O-CB 3.14Å; M201-L204 PolarHBondContact O-N 2.92Å; M201-E205 WeakPolarHBondContact CE-OE1 3.49Å; M201-E205 WeakPolarHBondContact O-CG 3.46Å; M201-E205 PolarHBondContact O-N 3.17Å; M201-R546 HydrophobicContact SD-CB 4.26Å; M201-R546 HydrophobicContact SD-CG 3.93Å; M201-V549 HydrophobicContact CE-CB 4.06Å; M201-V549 HydrophobicContact CE-CG1 3.63Å; M201-R553 VanDerWaalsContact CE-NH1 3.33Å |
| 202 | I | 98.3 | Very high | 97 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -62.2 | -42.9 | 177.1 | -65.8 | 166.4 | 0 | 0 | 0 | 111 | H163 Y168 A171 L172 I175 Y198 Q199 L204 E205 A206 | H163-I202 HydrophobicContact CB-CD1 4.28Å; H163-I202 HydrophobicContact CB-CG1 4.3Å; Y168-I202 HydrophobicContact CD1-CG2 4.14Å; A171-I202 HydrophobicContact CB-CD1 4.29Å; A171-I202 HydrophobicContact CB-CG2 4.42Å; L172-I202 HydrophobicContact CD1-CG2 4.19Å; L172-I202 HydrophobicContact CD2-CB 3.93Å; L172-I202 HydrophobicContact CD2-CG2 3.77Å; L172-I202 HydrophobicContact CG-CB 4.4Å; L172-I202 HydrophobicContact CG-CG2 3.67Å; I175-I202 HydrophobicContact CD1-CD1 3.63Å; Y198-I202 HydrophobicContact CD1-CD1 3.84Å; Y198-I202 HydrophobicContact CE1-CD1 3.41Å; Y198-I202 VanDerWaalsContact CE1-CD1 3.41Å; Y198-I202 HydrophobicContact CE1-CG1 4.31Å; Y198-I202 HydrophobicContact CE2-CD1 4.37Å; Y198-I202 HydrophobicContact CE2-CG1 4.44Å; Y198-I202 HydrophobicContact CG-CD1 4.49Å; Y198-I202 WeakPolarHBondContact O-CG1 3.26Å; Y198-I202 PolarHBondContact O-N 3.46Å; Q199-I202 PolarHBondContact O-N 2.92Å; I202-L204 VanDerWaalsContact C-N 3.3Å; I202-L204 PolarHBondContact O-N 2.98Å; I202-E205 PolarHBondContact O-N 3.01Å; I202-A206 WeakPolarHBondContact O-CB 3.25Å; I202-A206 PolarHBondContact O-N 3.16Å |
| 203 | M | 98.2 | Very high | 97.2 | Very high | 20 Ų | 20 | 23.5 Ų | 23.5 | 10% | 0.099 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -62.2 | -38.3 | 177.3 | -69 | 176.3 | -169.3 | 0 | 0 | 111.9 | L172 Q199 A200 M201 A206 G207 K208 A211 A212 H215 | L172-M203 HydrophobicContact CD1-CG 3.72Å; L172-M203 HydrophobicContact CD2-CE 4.03Å; L172-M203 HydrophobicContact CD2-CG 3.82Å; L172-M203 HydrophobicContact CG-CG 4.45Å; Q199-M203 VanDerWaalsContact O-CG 3.32Å; Q199-M203 WeakPolarHBondContact O-CG 3.19Å; Q199-M203 PolarHBondContact O-N 2.89Å; A200-M203 PolarHBondContact O-N 2.87Å; M201-M203 PolarHBondContact O-N 3.18Å; M203-A206 PolarHBondContact O-N 3.1Å; M203-G207 PolarHBondContact O-N 2.96Å; M203-K208 HydrophobicContact CB-CB 4.46Å; M203-K208 WeakPolarHBondContact O-CA 3.1Å; M203-K208 WeakPolarHBondContact O-CB 3.48Å; M203-K208 PolarHBondContact O-N 3.03Å; M203-A211 HydrophobicContact SD-CB 4.37Å; M203-A212 HydrophobicContact CB-CB 3.71Å; M203-A212 HydrophobicContact SD-CB 4.41Å; M203-H215 HydrophobicContact CE-CB 4.22Å; M203-H215 HydrophobicContact SD-CB 4.03Å |
| 204 | L | 96.5 | Very high | 97.3 | Very high | 38 Ų | 38 | 29 Ų | 29 | 20% | 0.199 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -64.3 | -44.6 | 175.3 | -174.8 | 63.8 | 0 | 0 | 0 | 111.6 | A200 M201 I202 A206 G207 E209 L236 K239 | A200-L204 WeakPolarHBondContact O-CB 3.32Å; A200-L204 PolarHBondContact O-N 3.42Å; M201-L204 WeakPolarHBondContact O-CB 3.14Å; M201-L204 PolarHBondContact O-N 2.92Å; I202-L204 VanDerWaalsContact C-N 3.3Å; I202-L204 PolarHBondContact O-N 2.98Å; L204-A206 VanDerWaalsContact C-N 3.26Å; L204-A206 PolarHBondContact O-N 3.23Å; L204-G207 PolarHBondContact O-N 3.35Å; L204-G207 VanDerWaalsContact O-N 3.15Å; L204-E209 HydrophobicContact CD1-CG 4.17Å; L204-L236 HydrophobicContact CD1-CD2 3.74Å; L204-K239 HydrophobicContact CD1-CD 3.99Å |
| 205 | E | 96.2 | Very high | 97.3 | Very high | 55 Ų | 55 | 29.9 Ų | 29.9 | 26% | 0.257 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -70.1 | -24.4 | 177.1 | -67.4 | -170.7 | -165 | 0 | 0 | 113 | H163 Y168 M201 I202 G207 R553 | H163-E205 IonicContact CD2-OE2 3.48Å; H163-E205 IonicContact NE2-OE1 2.76Å; H163-E205 IonicContact NE2-OE2 2.95Å; H163-E205 PolarHBondContact NE2-OE2 2.81Å; Y168-E205 HydrophobicContact CD1-CB 4.38Å; Y168-E205 HydrophobicContact CE1-CB 3.8Å; Y168-E205 WeakPolarHBondContact CE2-O 3.43Å; M201-E205 WeakPolarHBondContact CE-OE1 3.49Å; M201-E205 WeakPolarHBondContact O-CG 3.46Å; M201-E205 PolarHBondContact O-N 3.17Å; I202-E205 PolarHBondContact O-N 3.01Å; E205-G207 PolarHBondContact O-N 3.31Å; E205-R553 IonicContact OE1-CZ 3.19Å; E205-R553 VanDerWaalsContact OE1-CZ 3.27Å; E205-R553 IonicContact OE1-NH1 2.75Å; E205-R553 PolarHBondContact OE1-NH1 3.27Å; E205-R553 IonicContact OE1-NH2 4Å; E205-R553 PolarHBondContact OE1-NH2 2.8Å; E205-R553 IonicContact OE2-CZ 3.54Å; E205-R553 IonicContact OE2-NH2 3.85Å; E205-R553 PolarHBondContact OE2-NH2 3.15Å |
| 206 | A | 96.9 | Very high | 97.4 | Very high | 27 Ų | 27 | 29.7 Ų | 29.7 | 22% | 0.223 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.5 | -5.5 | 171.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y168 I202 M203 L204 K208 | Y168-A206 HydrophobicContact CD2-CB 3.85Å; Y168-A206 HydrophobicContact CG-CB 3.82Å; I202-A206 WeakPolarHBondContact O-CB 3.25Å; I202-A206 PolarHBondContact O-N 3.16Å; M203-A206 PolarHBondContact O-N 3.1Å; L204-A206 VanDerWaalsContact C-N 3.26Å; L204-A206 PolarHBondContact O-N 3.23Å; A206-K208 VanDerWaalsContact C-N 3.35Å; A206-K208 HydrophobicContact CB-CD 4.36Å; A206-K208 HydrophobicContact CB-CG 4.24Å |
| 207 | G | 96 | Very high | 97.4 | Very high | 46 Ų | 46 | 33.9 Ų | 33.9 | 47% | 0.474 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 68.7 | 31.7 | -172.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | M203 L204 E205 | M203-G207 PolarHBondContact O-N 2.96Å; L204-G207 PolarHBondContact O-N 3.35Å; L204-G207 VanDerWaalsContact O-N 3.15Å; E205-G207 PolarHBondContact O-N 3.31Å |
| 208 | K | 96.3 | Very high | 97.4 | Very high | 79 Ų | 79 | 41 Ų | 41 | 34% | 0.343 | 22% | 0.221 | S | C | . | . | trans | -111 | 60.6 | 178.5 | -67.7 | -177.9 | 163.2 | -176 | 0 | 111 | E169 M203 A206 N210 A211 A212 | E169-K208 WeakPolarHBondContact OE1-CE 3.49Å; E169-K208 IonicContact OE1-NZ 3.59Å; E169-K208 PolarHBondContact OE1-NZ 3.15Å; E169-K208 IonicContact OE2-NZ 2.72Å; E169-K208 PolarHBondContact OE2-NZ 3.32Å; M203-K208 HydrophobicContact CB-CB 4.46Å; M203-K208 WeakPolarHBondContact O-CA 3.1Å; M203-K208 WeakPolarHBondContact O-CB 3.48Å; M203-K208 PolarHBondContact O-N 3.03Å; A206-K208 VanDerWaalsContact C-N 3.35Å; A206-K208 HydrophobicContact CB-CD 4.36Å; A206-K208 HydrophobicContact CB-CG 4.24Å; K208-N210 PolarHBondContact O-N 2.88Å; K208-A211 HydrophobicContact CB-CB 4.24Å; K208-A211 PolarHBondContact O-N 3.37Å; K208-A212 PolarHBondContact O-N 2.96Å | ||
| 209 | E | 97.1 | Very high | 97.2 | Very high | 55 Ų | 55 | 41.2 Ų | 41.2 | 26% | 0.257 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -61.8 | -42.9 | -172.9 | -62.7 | 83.2 | -179.5 | 0 | 0 | 112.7 | L204 A211 A212 L213 L236 K239 L240 | L204-E209 HydrophobicContact CD1-CG 4.17Å; E209-A211 PolarHBondContact O-N 3.11Å; E209-A212 WeakPolarHBondContact O-CB 3.47Å; E209-A212 PolarHBondContact O-N 3.27Å; E209-L213 PolarHBondContact O-N 3.14Å; E209-L236 HydrophobicContact CB-CD2 3.88Å; E209-L236 HydrophobicContact CG-CD2 4.21Å; E209-K239 HydrophobicContact CG-CB 4.26Å; E209-K239 HydrophobicContact CG-CD 4.14Å; E209-L240 HydrophobicContact CB-CD1 4.42Å; E209-L240 HydrophobicContact CB-CD2 3.55Å; E209-L240 HydrophobicContact CB-CG 3.91Å |
| 210 | N | 97.3 | Very high | 97.1 | Very high | 93 Ų | 93 | 42.9 Ų | 42.9 | 50% | 0.497 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -60.2 | -47.3 | 178.9 | -75.6 | -51.8 | 0 | 0 | 0 | 111.6 | K208 A212 L213 E214 L240 | K208-N210 PolarHBondContact O-N 2.88Å; N210-A212 VanDerWaalsContact C-N 3.32Å; N210-A212 PolarHBondContact O-N 3.24Å; N210-L213 PolarHBondContact O-N 3.45Å; N210-E214 WeakPolarHBondContact O-CG 3.47Å; N210-E214 PolarHBondContact O-N 3.25Å; N210-L240 HydrophobicContact CB-CD2 4.42Å; N210-L240 WeakPolarHBondContact OD1-CD2 3.34Å |
| 211 | A | 96.7 | Very high | 96.8 | Very high | 42 Ų | 42 | 50 Ų | 50 | 35% | 0.347 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -65.4 | -37.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | M203 K208 E209 H215 | M203-A211 HydrophobicContact SD-CB 4.37Å; K208-A211 HydrophobicContact CB-CB 4.24Å; K208-A211 PolarHBondContact O-N 3.37Å; E209-A211 PolarHBondContact O-N 3.11Å; A211-H215 WeakPolarHBondContact O-CB 3.36Å; A211-H215 PolarHBondContact O-N 3.42Å |
| 212 | A | 98 | Very high | 96.6 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -61.8 | -45 | 175 | 0 | 0 | 0 | 0 | 0 | 111.5 | M203 K208 E209 N210 H215 L216 L236 | M203-A212 HydrophobicContact CB-CB 3.71Å; M203-A212 HydrophobicContact SD-CB 4.41Å; K208-A212 PolarHBondContact O-N 2.96Å; E209-A212 WeakPolarHBondContact O-CB 3.47Å; E209-A212 PolarHBondContact O-N 3.27Å; N210-A212 VanDerWaalsContact C-N 3.32Å; N210-A212 PolarHBondContact O-N 3.24Å; A212-H215 PolarHBondContact O-N 3.3Å; A212-L216 WeakPolarHBondContact O-CG 3.29Å; A212-L216 PolarHBondContact O-N 3.34Å; A212-L236 HydrophobicContact CB-CD1 3.9Å; A212-L236 HydrophobicContact CB-CD2 3.93Å |
| 213 | L | 98.2 | Very high | 96.5 | Very high | 8 Ų | 8 | 53.2 Ų | 53.2 | 4% | 0.042 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -65.4 | -47.8 | 179.1 | 178.9 | 62 | 0 | 0 | 0 | 111.8 | E209 N210 H215 L216 I217 K233 L236 L240 | E209-L213 PolarHBondContact O-N 3.14Å; N210-L213 PolarHBondContact O-N 3.45Å; L213-H215 VanDerWaalsContact C-N 3.29Å; L213-H215 PolarHBondContact O-N 3.07Å; L213-L216 PolarHBondContact O-N 3.19Å; L213-I217 HydrophobicContact CD1-CD1 4.02Å; L213-I217 HydrophobicContact CD1-CG1 4.27Å; L213-I217 HydrophobicContact CG-CD1 3.87Å; L213-I217 WeakPolarHBondContact O-CG1 3.43Å; L213-I217 PolarHBondContact O-N 2.58Å; L213-K233 HydrophobicContact CD1-CG 4.18Å; L213-L236 HydrophobicContact CB-CB 4.36Å; L213-L236 HydrophobicContact CB-CD1 4.3Å; L213-L236 HydrophobicContact CD1-CB 4.39Å; L213-L240 HydrophobicContact CB-CD1 3.98Å; L213-L240 HydrophobicContact CD2-CD1 3.59Å; L213-L240 HydrophobicContact CG-CD1 4.43Å |
| 214 | E | 97.7 | Very high | 96.4 | Very high | 117 Ų | 117 | 55.2 Ų | 55.2 | 55% | 0.547 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -57.3 | -44.5 | 176.2 | -74.1 | 177.1 | -172.2 | 0 | 0 | 111.4 | N210 L216 I217 Q218 | N210-E214 WeakPolarHBondContact O-CG 3.47Å; N210-E214 PolarHBondContact O-N 3.25Å; E214-L216 PolarHBondContact O-N 3.36Å; E214-I217 PolarHBondContact O-N 2.91Å; E214-Q218 WeakPolarHBondContact O-CB 3.48Å; E214-Q218 VanDerWaalsContact O-CG 3.26Å; E214-Q218 WeakPolarHBondContact O-CG 3.49Å; E214-Q218 PolarHBondContact O-N 3.11Å |
| 215 | H | 97.8 | Very high | 96.4 | Very high | 21 Ų | 21 | 55.9 Ų | 55.9 | 10% | 0.097 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -59.5 | -44.8 | 176.4 | 171.1 | 81.7 | 0 | 0 | 0 | 112 | L196 Q199 M203 A211 A212 L213 Q218 S219 | L196-H215 PolarHBondContact O-NE2 2.78Å; Q199-H215 PolarHBondContact OE1-CE1 2.98Å; Q199-H215 VanDerWaalsContact OE1-CE1 3.28Å; M203-H215 HydrophobicContact CE-CB 4.22Å; M203-H215 HydrophobicContact SD-CB 4.03Å; A211-H215 WeakPolarHBondContact O-CB 3.36Å; A211-H215 PolarHBondContact O-N 3.42Å; A212-H215 PolarHBondContact O-N 3.3Å; L213-H215 VanDerWaalsContact C-N 3.29Å; L213-H215 PolarHBondContact O-N 3.07Å; H215-Q218 PolarHBondContact O-N 3.19Å; H215-S219 VanDerWaalsContact O-CB 3.32Å; H215-S219 WeakPolarHBondContact O-CB 3.49Å; H215-S219 PolarHBondContact O-N 3.39Å; H215-S219 PolarHBondContact O-OG 2.67Å |
| 216 | L | 98 | Very high | 96.3 | Very high | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -66 | -36.8 | 176.9 | -71.4 | 177.9 | 0 | 0 | 0 | 113 | L197 A200 A212 L213 E214 S220 I223 L229 M232 K233 L236 | L197-L216 HydrophobicContact CD2-CD2 3.94Å; A200-L216 HydrophobicContact CB-CD1 4.26Å; A200-L216 HydrophobicContact CB-CD2 3.62Å; A200-L216 HydrophobicContact CB-CG 3.86Å; A212-L216 WeakPolarHBondContact O-CG 3.29Å; A212-L216 PolarHBondContact O-N 3.34Å; L213-L216 PolarHBondContact O-N 3.19Å; E214-L216 PolarHBondContact O-N 3.36Å; L216-S220 WeakPolarHBondContact O-CA 3.45Å; L216-S220 WeakPolarHBondContact O-CB 3.4Å; L216-S220 PolarHBondContact O-N 3.35Å; L216-I223 HydrophobicContact CD2-CD1 3.93Å; L216-L229 HydrophobicContact CB-CD1 3.85Å; L216-L229 HydrophobicContact CD1-CD1 4.48Å; L216-L229 HydrophobicContact CD2-CD1 3.88Å; L216-L229 HydrophobicContact CG-CD1 4.28Å; L216-M232 HydrophobicContact CD1-CB 3.75Å; L216-K233 HydrophobicContact CB-CG 4.35Å; L216-K233 HydrophobicContact CD1-CG 4.21Å; L216-L236 HydrophobicContact CD1-CD1 3.56Å |
| 217 | I | 97.1 | Very high | 96.3 | Very high | 89 Ų | 89 | 59 Ų | 59 | 46% | 0.456 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -67.1 | -48.9 | 176.8 | -68.7 | 167.7 | 0 | 0 | 0 | 110 | L213 E214 S219 S220 | L213-I217 HydrophobicContact CD1-CD1 4.02Å; L213-I217 HydrophobicContact CD1-CG1 4.27Å; L213-I217 HydrophobicContact CG-CD1 3.87Å; L213-I217 WeakPolarHBondContact O-CG1 3.43Å; L213-I217 PolarHBondContact O-N 2.58Å; E214-I217 PolarHBondContact O-N 2.91Å; I217-S219 VanDerWaalsContact C-N 3.33Å; I217-S219 PolarHBondContact O-N 3.32Å; I217-S220 VanDerWaalsContact O-CB 3.27Å; I217-S220 WeakPolarHBondContact O-CB 3.32Å; I217-S220 PolarHBondContact O-N 3.48Å |
| 218 | Q | 96.4 | Very high | 96.3 | Very high | 149 Ų | 149 | 57.8 Ų | 57.8 | 70% | 0.696 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -63.3 | -39.9 | -178.9 | -71.5 | 173.4 | 10.8 | 0 | 0 | 112.1 | E214 H215 | E214-Q218 WeakPolarHBondContact O-CB 3.48Å; E214-Q218 VanDerWaalsContact O-CG 3.26Å; E214-Q218 WeakPolarHBondContact O-CG 3.49Å; E214-Q218 PolarHBondContact O-N 3.11Å; H215-Q218 PolarHBondContact O-N 3.19Å |
| 219 | S | 94.6 | Very high | 96.4 | Very high | 5 Ų | 5 | 54.3 Ų | 54.3 | 4% | 0.035 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.7 | 5.7 | -178.6 | 65.5 | 0 | 0 | 0 | 0 | 114.2 | H215 I217 N221 E222 I223 | H215-S219 VanDerWaalsContact O-CB 3.32Å; H215-S219 WeakPolarHBondContact O-CB 3.49Å; H215-S219 PolarHBondContact O-N 3.39Å; H215-S219 PolarHBondContact O-OG 2.67Å; I217-S219 VanDerWaalsContact C-N 3.33Å; I217-S219 PolarHBondContact O-N 3.32Å; S219-N221 PolarHBondContact O-N 2.89Å; S219-N221 VanDerWaalsContact O-N 3.1Å; S219-E222 PolarHBondContact O-N 3.22Å; S219-I223 WeakPolarHBondContact O-CG1 3.44Å; S219-I223 PolarHBondContact O-N 2.97Å; S219-I223 VanDerWaalsContact O-N 3.14Å; S219-I223 WeakPolarHBondContact OG-CD1 3.47Å |
| 220 | S | 95.2 | Very high | 96.5 | Very high | 36 Ų | 36 | 53.3 Ų | 53.3 | 25% | 0.252 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.9 | -37.7 | -173.7 | -177.7 | 0 | 0 | 0 | 0 | 113.6 | L216 I217 E222 K226 | L216-S220 WeakPolarHBondContact O-CA 3.45Å; L216-S220 WeakPolarHBondContact O-CB 3.4Å; L216-S220 PolarHBondContact O-N 3.35Å; I217-S220 VanDerWaalsContact O-CB 3.27Å; I217-S220 WeakPolarHBondContact O-CB 3.32Å; I217-S220 PolarHBondContact O-N 3.48Å; S220-E222 VanDerWaalsContact C-N 3.34Å; S220-K226 PolarHBondContact O-NZ 3.29Å |
| 221 | N | 93 | Very high | 96.5 | Very high | 148 Ų | 148 | 51 Ų | 51 | 79% | 0.791 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.6 | -27.1 | -179.9 | -69.8 | -28.6 | 0 | 0 | 0 | 113.2 | S219 | S219-N221 PolarHBondContact O-N 2.89Å; S219-N221 VanDerWaalsContact O-N 3.1Å |
| 222 | E | 93.3 | Very high | 96.5 | Very high | 89 Ų | 89 | 50.1 Ų | 50.1 | 42% | 0.416 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87 | -22.1 | -178.8 | -62 | 173.6 | -96.5 | 0 | 0 | 112.2 | H192 L196 S219 S220 V224 | H192-E222 IonicContact CD2-OE2 2.64Å; H192-E222 IonicContact CE1-OE2 2.72Å; H192-E222 IonicContact NE2-OE2 3.65Å; H192-E222 PolarHBondContact NE2-OE2 3.1Å; L196-E222 HydrophobicContact CD1-CB 3.75Å; S219-E222 PolarHBondContact O-N 3.22Å; S220-E222 VanDerWaalsContact C-N 3.34Å; E222-V224 PolarHBondContact O-N 2.87Å |
| 223 | I | 96.6 | Very high | 96.5 | Very high | 1 Ų | 1 | 52.3 Ų | 52.3 | 1% | 0.005 | 27% | 0.265 | C | S | . | . | trans | -77.7 | 118.6 | 177.2 | -65.2 | 167.4 | 0 | 0 | 0 | 110 | S193 L196 L197 L216 S219 D225 K226 L229 | S193-I223 WeakPolarHBondContact OG-CA 3.34Å; L196-I223 HydrophobicContact CB-CD1 4.33Å; L196-I223 HydrophobicContact CB-CG1 4.06Å; L196-I223 HydrophobicContact CD1-CG1 3.98Å; L197-I223 HydrophobicContact CD1-CG2 3.9Å; L197-I223 HydrophobicContact CD2-CD1 4.01Å; L197-I223 HydrophobicContact CD2-CG2 4.14Å; L197-I223 HydrophobicContact CG-CD1 4.32Å; L197-I223 HydrophobicContact CG-CG1 4.48Å; L197-I223 HydrophobicContact CG-CG2 4.07Å; L216-I223 HydrophobicContact CD2-CD1 3.93Å; S219-I223 WeakPolarHBondContact O-CG1 3.44Å; S219-I223 PolarHBondContact O-N 2.97Å; S219-I223 VanDerWaalsContact O-N 3.14Å; S219-I223 WeakPolarHBondContact OG-CD1 3.47Å; I223-D225 WeakPolarHBondContact CG2-O 3.38Å; I223-K226 WeakPolarHBondContact O-CD 3Å; I223-K226 WeakPolarHBondContact O-CE 3.46Å; I223-K226 PolarHBondContact O-NZ 3.11Å; I223-L229 HydrophobicContact CB-CD2 4.45Å; I223-L229 HydrophobicContact CD1-CD1 3.9Å; I223-L229 HydrophobicContact CG2-CB 4.08Å; I223-L229 HydrophobicContact CG2-CD2 4.44Å | ||
| 224 | V | 95.7 | Very high | 96.4 | Very high | 62 Ų | 62 | 51.9 Ų | 51.9 | 38% | 0.376 | 26% | 0.263 | S | S | . | . | trans | -83.7 | -35.3 | 178.8 | -175.4 | 0 | 0 | 0 | 0 | 111.3 | F188 S193 E222 K226 | F188-V224 HydrophobicContact CB-CG2 3.96Å; F188-V224 HydrophobicContact CD1-CG2 4.27Å; S193-V224 PolarHBondContact OG-N 3.4Å; E222-V224 PolarHBondContact O-N 2.87Å; V224-K226 VanDerWaalsContact C-N 3.33Å; V224-K226 PolarHBondContact O-N 3.5Å | ||
| 225 | D | 95.8 | Very high | 96.4 | Very high | 51 Ų | 51 | 49.7 Ų | 49.7 | 27% | 0.273 | 25% | 0.252 | S | S | . | . | trans | -76.5 | 82.4 | 175.3 | -178.5 | 0.2 | 0 | 0 | 0 | 111.1 | L197 I223 I227 S228 L229 R546 | L197-D225 HydrophobicContact CD1-CB 3.99Å; I223-D225 WeakPolarHBondContact CG2-O 3.38Å; D225-I227 PolarHBondContact O-N 3.49Å; D225-I227 PolarHBondContact OD1-N 3.14Å; D225-S228 VanDerWaalsContact CG-CB 3.49Å; D225-S228 VanDerWaalsContact CG-OG 3.29Å; D225-S228 PolarHBondContact OD1-N 2.99Å; D225-S228 WeakPolarHBondContact OD2-CB 3.39Å; D225-S228 PolarHBondContact OD2-OG 2.91Å; D225-L229 WeakPolarHBondContact O-CB 3.32Å; D225-L229 PolarHBondContact O-N 3.26Å; D225-R546 IonicContact OD2-NH2 3Å; D225-R546 PolarHBondContact OD2-NH2 2.64Å | ||
| 226 | K | 95.4 | Very high | 96.4 | Very high | 82 Ų | 82 | 48.9 Ų | 48.9 | 36% | 0.357 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -67.6 | -22.7 | -178.7 | -59.5 | -54.1 | -172 | -169.1 | 0 | 113.5 | S220 I223 V224 L229 L230 | S220-K226 PolarHBondContact O-NZ 3.29Å; I223-K226 WeakPolarHBondContact O-CD 3Å; I223-K226 WeakPolarHBondContact O-CE 3.46Å; I223-K226 PolarHBondContact O-NZ 3.11Å; V224-K226 VanDerWaalsContact C-N 3.33Å; V224-K226 PolarHBondContact O-N 3.5Å; K226-L229 HydrophobicContact CD-CD2 4.28Å; K226-L230 WeakPolarHBondContact O-CB 3.46Å; K226-L230 VanDerWaalsContact O-CG 3.3Å; K226-L230 WeakPolarHBondContact O-CG 3.5Å; K226-L230 PolarHBondContact O-N 3.12Å; K226-L230 VanDerWaalsContact O-N 3.14Å |
| 227 | I | 96.6 | Very high | 96.3 | Very high | 66 Ų | 66 | 49.3 Ų | 49.3 | 34% | 0.338 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -73.8 | -54.5 | -179.8 | -63.2 | 174.8 | 0 | 0 | 0 | 108.9 | D225 L229 L230 E231 | D225-I227 PolarHBondContact O-N 3.49Å; D225-I227 PolarHBondContact OD1-N 3.14Å; I227-L229 PolarHBondContact O-N 2.7Å; I227-L230 PolarHBondContact O-N 2.99Å; I227-E231 HydrophobicContact CG2-CG 4.35Å; I227-E231 WeakPolarHBondContact CG2-OE1 3.33Å; I227-E231 WeakPolarHBondContact O-CG 3.39Å; I227-E231 PolarHBondContact O-N 3.13Å |
| 228 | S | 96.5 | Very high | 96.2 | Very high | 20 Ų | 20 | 45.7 Ų | 45.7 | 14% | 0.14 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -56.7 | -39.9 | 175.8 | -70.5 | 0 | 0 | 0 | 0 | 112 | D225 E231 M232 R546 | D225-S228 VanDerWaalsContact CG-CB 3.49Å; D225-S228 VanDerWaalsContact CG-OG 3.29Å; D225-S228 PolarHBondContact OD1-N 2.99Å; D225-S228 WeakPolarHBondContact OD2-CB 3.39Å; D225-S228 PolarHBondContact OD2-OG 2.91Å; S228-E231 PolarHBondContact O-N 3.16Å; S228-M232 WeakPolarHBondContact O-CB 3.5Å; S228-M232 VanDerWaalsContact O-CG 3.26Å; S228-M232 WeakPolarHBondContact O-CG 3.3Å; S228-M232 PolarHBondContact O-N 3.23Å; S228-R546 PolarHBondContact OG-NH1 3.41Å |
| 229 | L | 97.9 | Very high | 96.1 | Very high | 6 Ų | 6 | 44.6 Ų | 44.6 | 3% | 0.031 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -57.2 | -50.3 | 175.3 | 173.6 | 61.2 | 0 | 0 | 0 | 111.8 | L216 I223 D225 K226 I227 K233 | L216-L229 HydrophobicContact CB-CD1 3.85Å; L216-L229 HydrophobicContact CD1-CD1 4.48Å; L216-L229 HydrophobicContact CD2-CD1 3.88Å; L216-L229 HydrophobicContact CG-CD1 4.28Å; I223-L229 HydrophobicContact CB-CD2 4.45Å; I223-L229 HydrophobicContact CD1-CD1 3.9Å; I223-L229 HydrophobicContact CG2-CB 4.08Å; I223-L229 HydrophobicContact CG2-CD2 4.44Å; D225-L229 WeakPolarHBondContact O-CB 3.32Å; D225-L229 PolarHBondContact O-N 3.26Å; K226-L229 HydrophobicContact CD-CD2 4.28Å; I227-L229 PolarHBondContact O-N 2.7Å; L229-K233 HydrophobicContact CD1-CD 4.16Å; L229-K233 HydrophobicContact CD1-CG 4.18Å; L229-K233 HydrophobicContact CG-CD 4.42Å; L229-K233 WeakPolarHBondContact O-CB 3.49Å; L229-K233 WeakPolarHBondContact O-CG 3.49Å; L229-K233 PolarHBondContact O-N 2.87Å |
| 230 | L | 97.8 | Very high | 96.1 | Very high | 35 Ų | 35 | 46.3 Ų | 46.3 | 18% | 0.183 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -66.7 | -40.3 | -179.6 | -75.3 | 172.1 | 0 | 0 | 0 | 111.9 | K226 I227 K233 A234 L253 | K226-L230 WeakPolarHBondContact O-CB 3.46Å; K226-L230 VanDerWaalsContact O-CG 3.3Å; K226-L230 WeakPolarHBondContact O-CG 3.5Å; K226-L230 PolarHBondContact O-N 3.12Å; K226-L230 VanDerWaalsContact O-N 3.14Å; I227-L230 PolarHBondContact O-N 2.99Å; L230-K233 PolarHBondContact O-N 3.28Å; L230-A234 WeakPolarHBondContact O-CB 3.16Å; L230-A234 PolarHBondContact O-N 2.98Å; L230-L253 HydrophobicContact CB-CD2 3.61Å; L230-L253 HydrophobicContact CB-CG 4.04Å; L230-L253 HydrophobicContact CD1-CD2 4.31Å |
| 231 | E | 97.4 | Very high | 96 | Very high | 43 Ų | 43 | 46.1 Ų | 46.1 | 20% | 0.201 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -61.8 | -48.3 | 176.3 | -71.5 | 175 | 170.9 | 0 | 0 | 111.5 | I227 S228 A234 Q235 L253 Y263 | I227-E231 HydrophobicContact CG2-CG 4.35Å; I227-E231 WeakPolarHBondContact CG2-OE1 3.33Å; I227-E231 WeakPolarHBondContact O-CG 3.39Å; I227-E231 PolarHBondContact O-N 3.13Å; S228-E231 PolarHBondContact O-N 3.16Å; E231-A234 PolarHBondContact O-N 3.28Å; E231-Q235 VanDerWaalsContact O-CG 3.32Å; E231-Q235 WeakPolarHBondContact O-CG 3.1Å; E231-Q235 PolarHBondContact O-N 3.17Å; E231-L253 HydrophobicContact CG-CD1 4.13Å; E231-L253 HydrophobicContact CG-CD2 3.92Å; E231-Y263 HydrophobicContact CG-CE1 3.93Å; E231-Y263 VanDerWaalsContact OE1-CE1 3.23Å; E231-Y263 WeakPolarHBondContact OE1-CE1 3.37Å; E231-Y263 PolarHBondContact OE1-OH 3.43Å |
| 232 | M | 97.4 | Very high | 96.2 | Very high | 25 Ų | 25 | 42.1 Ų | 42.1 | 12% | 0.123 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -64.3 | -41.9 | 176.8 | -69.8 | -175.7 | 76.5 | 0 | 0 | 111.8 | L197 A200 L216 S228 Q235 L236 | L197-M232 HydrophobicContact CD2-SD 3.87Å; A200-M232 HydrophobicContact CB-CE 3.48Å; A200-M232 VanDerWaalsContact CB-CE 3.48Å; A200-M232 HydrophobicContact CB-SD 4.48Å; L216-M232 HydrophobicContact CD1-CB 3.75Å; S228-M232 WeakPolarHBondContact O-CB 3.5Å; S228-M232 VanDerWaalsContact O-CG 3.26Å; S228-M232 WeakPolarHBondContact O-CG 3.3Å; S228-M232 PolarHBondContact O-N 3.23Å; M232-Q235 PolarHBondContact O-N 2.98Å; M232-L236 WeakPolarHBondContact O-CB 3.36Å; M232-L236 WeakPolarHBondContact O-CD1 3.48Å; M232-L236 VanDerWaalsContact O-CG 3.29Å; M232-L236 WeakPolarHBondContact O-CG 3.38Å; M232-L236 PolarHBondContact O-N 3.41Å |
| 233 | K | 97.9 | Very high | 96.3 | Very high | 45 Ų | 45 | 40.6 Ų | 40.6 | 20% | 0.196 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -60.9 | -47.8 | 175.2 | -81 | -171.2 | 71.6 | -168.6 | 0 | 111.8 | L213 L216 L229 L230 Q235 L236 H237 | L213-K233 HydrophobicContact CD1-CG 4.18Å; L216-K233 HydrophobicContact CB-CG 4.35Å; L216-K233 HydrophobicContact CD1-CG 4.21Å; L229-K233 HydrophobicContact CD1-CD 4.16Å; L229-K233 HydrophobicContact CD1-CG 4.18Å; L229-K233 HydrophobicContact CG-CD 4.42Å; L229-K233 WeakPolarHBondContact O-CB 3.49Å; L229-K233 WeakPolarHBondContact O-CG 3.49Å; L229-K233 PolarHBondContact O-N 2.87Å; L230-K233 PolarHBondContact O-N 3.28Å; K233-Q235 VanDerWaalsContact C-N 3.33Å; K233-Q235 PolarHBondContact O-N 3.48Å; K233-L236 PolarHBondContact O-N 3.43Å; K233-H237 WeakPolarHBondContact O-CB 3.26Å; K233-H237 PolarHBondContact O-CD2 2.95Å; K233-H237 PolarHBondContact O-N 3.29Å |
| 234 | A | 97.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -58.5 | -46.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | L230 E231 L238 C249 L253 L266 | L230-A234 WeakPolarHBondContact O-CB 3.16Å; L230-A234 PolarHBondContact O-N 2.98Å; E231-A234 PolarHBondContact O-N 3.28Å; A234-L238 WeakPolarHBondContact O-CG 3.15Å; A234-L238 PolarHBondContact O-N 3.47Å; A234-L238 VanDerWaalsContact O-N 3.07Å; A234-C249 HydrophobicContact CB-CB 3.78Å; A234-L253 HydrophobicContact CB-CD1 4.19Å; A234-L266 HydrophobicContact CB-CD1 4.05Å |
| 235 | Q | 96.4 | Very high | 96.4 | Very high | 71 Ų | 71 | 48.1 Ų | 48.1 | 33% | 0.332 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -64.1 | -39.4 | 176.7 | -70.1 | 173.8 | 15.7 | 0 | 0 | 112.9 | E231 M232 K233 K239 L266 | E231-Q235 VanDerWaalsContact O-CG 3.32Å; E231-Q235 WeakPolarHBondContact O-CG 3.1Å; E231-Q235 PolarHBondContact O-N 3.17Å; M232-Q235 PolarHBondContact O-N 2.98Å; K233-Q235 VanDerWaalsContact C-N 3.33Å; K233-Q235 PolarHBondContact O-N 3.48Å; Q235-K239 WeakPolarHBondContact O-CG 3.44Å; Q235-K239 PolarHBondContact O-N 2.72Å; Q235-L266 HydrophobicContact CG-CD2 3.84Å |
| 236 | L | 97.1 | Very high | 96.5 | Very high | 3 Ų | 3 | 45.7 Ų | 45.7 | 2% | 0.016 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -69.2 | -45.8 | 177.8 | -79.1 | 165.5 | 0 | 0 | 0 | 112.1 | L204 E209 A212 L213 L216 M232 K233 L238 K239 L240 | L204-L236 HydrophobicContact CD1-CD2 3.74Å; E209-L236 HydrophobicContact CB-CD2 3.88Å; E209-L236 HydrophobicContact CG-CD2 4.21Å; A212-L236 HydrophobicContact CB-CD1 3.9Å; A212-L236 HydrophobicContact CB-CD2 3.93Å; L213-L236 HydrophobicContact CB-CB 4.36Å; L213-L236 HydrophobicContact CB-CD1 4.3Å; L213-L236 HydrophobicContact CD1-CB 4.39Å; L216-L236 HydrophobicContact CD1-CD1 3.56Å; M232-L236 WeakPolarHBondContact O-CB 3.36Å; M232-L236 WeakPolarHBondContact O-CD1 3.48Å; M232-L236 VanDerWaalsContact O-CG 3.29Å; M232-L236 WeakPolarHBondContact O-CG 3.38Å; M232-L236 PolarHBondContact O-N 3.41Å; K233-L236 PolarHBondContact O-N 3.43Å; L236-L238 VanDerWaalsContact C-N 3.26Å; L236-L238 PolarHBondContact O-N 3.45Å; L236-K239 PolarHBondContact O-N 2.93Å; L236-K239 VanDerWaalsContact O-N 3.16Å; L236-L240 WeakPolarHBondContact O-CB 3.36Å; L236-L240 VanDerWaalsContact O-CG 3.31Å; L236-L240 WeakPolarHBondContact O-CG 3.41Å; L236-L240 PolarHBondContact O-N 3.46Å |
| 237 | H | 97.7 | Very high | 96.6 | Very high | 10 Ų | 10 | 42.2 Ų | 42.2 | 5% | 0.046 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -57.3 | -41.5 | 175.1 | -76.1 | -60.5 | 0 | 0 | 0 | 111 | K233 L240 G241 Q242 D245 A246 | K233-H237 WeakPolarHBondContact O-CB 3.26Å; K233-H237 PolarHBondContact O-CD2 2.95Å; K233-H237 PolarHBondContact O-N 3.29Å; H237-L240 PolarHBondContact O-N 3.43Å; H237-G241 PolarHBondContact O-N 3.3Å; H237-Q242 HydrophobicContact CB-CB 4.18Å; H237-Q242 PolarHBondContact CE1-OE1 3.4Å; H237-Q242 PolarHBondContact ND1-OE1 3.39Å; H237-Q242 PolarHBondContact O-N 3.02Å; H237-D245 HydrophobicContact CB-CB 4.24Å; H237-D245 IonicContact CE1-OD2 3.49Å; H237-D245 WeakPolarHBondContact ND1-CB 3.47Å; H237-D245 IonicContact ND1-OD2 3.91Å; H237-A246 HydrophobicContact CB-CB 3.73Å |
| 238 | L | 94.6 | Very high | 96.7 | Very high | 12 Ų | 12 | 45.2 Ų | 45.2 | 6% | 0.063 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -59.3 | -51.2 | 172.7 | -77.4 | 176.1 | 0 | 0 | 0 | 112.6 | A234 L236 L240 G241 Y243 A246 L266 Q269 A270 | A234-L238 WeakPolarHBondContact O-CG 3.15Å; A234-L238 PolarHBondContact O-N 3.47Å; A234-L238 VanDerWaalsContact O-N 3.07Å; L236-L238 VanDerWaalsContact C-N 3.26Å; L236-L238 PolarHBondContact O-N 3.45Å; L238-L240 VanDerWaalsContact C-N 3.26Å; L238-L240 PolarHBondContact O-N 2.65Å; L238-G241 PolarHBondContact O-N 3.24Å; L238-Y243 HydrophobicContact CD2-CD1 4.41Å; L238-A246 HydrophobicContact CD2-CB 3.72Å; L238-A246 HydrophobicContact CG-CB 3.74Å; L238-L266 HydrophobicContact CD1-CB 4.39Å; L238-L266 HydrophobicContact CD1-CD2 3.45Å; L238-L266 VanDerWaalsContact CD1-CD2 3.45Å; L238-Q269 HydrophobicContact CD1-CB 4.17Å; L238-Q269 HydrophobicContact CD2-CB 4.21Å; L238-A270 VanDerWaalsContact CD2-CA 3.47Å; L238-A270 HydrophobicContact CD2-CB 3.67Å |
| 239 | K | 93.2 | Very high | 96.7 | Very high | 126 Ų | 126 | 44.8 Ų | 44.8 | 55% | 0.548 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -62.5 | -32.9 | -179.9 | -76.6 | -174 | 175.1 | -170.7 | 0 | 113 | L204 E209 Q235 L236 G241 | L204-K239 HydrophobicContact CD1-CD 3.99Å; E209-K239 HydrophobicContact CG-CB 4.26Å; E209-K239 HydrophobicContact CG-CD 4.14Å; Q235-K239 WeakPolarHBondContact O-CG 3.44Å; Q235-K239 PolarHBondContact O-N 2.72Å; L236-K239 PolarHBondContact O-N 2.93Å; L236-K239 VanDerWaalsContact O-N 3.16Å; K239-G241 VanDerWaalsContact C-N 3.33Å |
| 240 | L | 95.2 | Very high | 96.7 | Very high | 41 Ų | 41 | 44.5 Ų | 44.5 | 22% | 0.215 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84 | -2.7 | -179.3 | -70.8 | 175.4 | 0 | 0 | 0 | 114.2 | E209 N210 L213 L236 H237 L238 Q242 | E209-L240 HydrophobicContact CB-CD1 4.42Å; E209-L240 HydrophobicContact CB-CD2 3.55Å; E209-L240 HydrophobicContact CB-CG 3.91Å; N210-L240 HydrophobicContact CB-CD2 4.42Å; N210-L240 WeakPolarHBondContact OD1-CD2 3.34Å; L213-L240 HydrophobicContact CB-CD1 3.98Å; L213-L240 HydrophobicContact CD2-CD1 3.59Å; L213-L240 HydrophobicContact CG-CD1 4.43Å; L236-L240 WeakPolarHBondContact O-CB 3.36Å; L236-L240 VanDerWaalsContact O-CG 3.31Å; L236-L240 WeakPolarHBondContact O-CG 3.41Å; L236-L240 PolarHBondContact O-N 3.46Å; H237-L240 PolarHBondContact O-N 3.43Å; L238-L240 VanDerWaalsContact C-N 3.26Å; L238-L240 PolarHBondContact O-N 2.65Å; L240-Q242 VanDerWaalsContact C-N 3.28Å; L240-Q242 HydrophobicContact CB-CG 4.26Å; L240-Q242 PolarHBondContact O-N 3.03Å |
| 241 | G | 93.6 | Very high | 96.7 | Very high | 32 Ų | 32 | 45.3 Ų | 45.3 | 33% | 0.33 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 78.9 | 9.7 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | H237 L238 K239 Y243 | H237-G241 PolarHBondContact O-N 3.3Å; L238-G241 PolarHBondContact O-N 3.24Å; K239-G241 VanDerWaalsContact C-N 3.33Å; G241-Y243 VanDerWaalsContact C-N 3.26Å; G241-Y243 VanDerWaalsContact CA-CE1 3.5Å; G241-Y243 WeakPolarHBondContact O-CD2 3.29Å; G241-Y243 PolarHBondContact O-N 2.87Å; G241-Y243 VanDerWaalsContact O-N 3.1Å |
| 242 | Q | 95.7 | Very high | 96.8 | Very high | 65 Ų | 65 | 45.4 Ų | 45.4 | 30% | 0.304 | 23% | 0.226 | S | C | . | . | trans | -87.7 | 65.6 | 179.5 | -65.5 | 169.3 | -7.2 | 0 | 0 | 109.5 | H237 L240 E244 D245 A246 | H237-Q242 HydrophobicContact CB-CB 4.18Å; H237-Q242 PolarHBondContact CE1-OE1 3.4Å; H237-Q242 PolarHBondContact ND1-OE1 3.39Å; H237-Q242 PolarHBondContact O-N 3.02Å; L240-Q242 VanDerWaalsContact C-N 3.28Å; L240-Q242 HydrophobicContact CB-CG 4.26Å; L240-Q242 PolarHBondContact O-N 3.03Å; Q242-E244 PolarHBondContact O-N 3.35Å; Q242-D245 HydrophobicContact CB-CB 4.45Å; Q242-D245 PolarHBondContact O-N 3.5Å; Q242-A246 PolarHBondContact O-N 3.02Å | ||
| 243 | Y | 96.4 | Very high | 96.8 | Very high | 56 Ų | 56 | 44.2 Ų | 44.2 | 22% | 0.22 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -71 | -27.8 | -166.1 | -49.1 | -55.5 | 0 | 0 | 0 | 114.1 | L238 G241 A246 A247 A273 L274 T279 | L238-Y243 HydrophobicContact CD2-CD1 4.41Å; G241-Y243 VanDerWaalsContact C-N 3.26Å; G241-Y243 VanDerWaalsContact CA-CE1 3.5Å; G241-Y243 WeakPolarHBondContact O-CD2 3.29Å; G241-Y243 PolarHBondContact O-N 2.87Å; G241-Y243 VanDerWaalsContact O-N 3.1Å; Y243-A246 PolarHBondContact O-N 3.36Å; Y243-A247 WeakPolarHBondContact O-CB 3.46Å; Y243-A247 PolarHBondContact O-N 3Å; Y243-A273 HydrophobicContact CD1-CB 3.44Å; Y243-A273 VanDerWaalsContact CD1-CB 3.44Å; Y243-A273 HydrophobicContact CD2-CB 3.85Å; Y243-A273 HydrophobicContact CE1-CB 3.34Å; Y243-A273 HydrophobicContact CE2-CB 3.77Å; Y243-A273 HydrophobicContact CG-CB 3.7Å; Y243-L274 HydrophobicContact CD2-CD2 4.47Å; Y243-T279 HydrophobicContact CE1-CG2 4.13Å |
| 244 | E | 97.2 | Very high | 96.8 | Very high | 151 Ų | 151 | 42 Ų | 42 | 71% | 0.706 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -64.6 | -49.2 | 174.6 | -63.4 | -175.8 | 168.7 | 0 | 0 | 110.9 | Q242 A246 A247 E248 L274 | Q242-E244 PolarHBondContact O-N 3.35Å; E244-A246 VanDerWaalsContact C-N 3.32Å; E244-A246 PolarHBondContact O-N 3.25Å; E244-A247 PolarHBondContact O-N 3.24Å; E244-E248 PolarHBondContact O-N 3.4Å; E244-L274 HydrophobicContact CG-CD2 3.75Å |
| 245 | D | 97.4 | Very high | 96.8 | Very high | 70 Ų | 70 | 45.3 Ų | 45.3 | 37% | 0.374 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -64.4 | -36.9 | 176.6 | -62.2 | -50.3 | 0 | 0 | 0 | 112 | H237 Q242 E248 C249 | H237-D245 HydrophobicContact CB-CB 4.24Å; H237-D245 IonicContact CE1-OD2 3.49Å; H237-D245 WeakPolarHBondContact ND1-CB 3.47Å; H237-D245 IonicContact ND1-OD2 3.91Å; Q242-D245 HydrophobicContact CB-CB 4.45Å; Q242-D245 PolarHBondContact O-N 3.5Å; D245-E248 PolarHBondContact O-N 2.89Å; D245-C249 WeakPolarHBondContact O-CB 3.37Å; D245-C249 PolarHBondContact O-N 3.35Å; D245-C249 PolarHBondContact O-SG 3.16Å |
| 246 | A | 97.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62 | -43.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | H237 L238 Q242 Y243 E244 S250 A270 | H237-A246 HydrophobicContact CB-CB 3.73Å; L238-A246 HydrophobicContact CD2-CB 3.72Å; L238-A246 HydrophobicContact CG-CB 3.74Å; Q242-A246 PolarHBondContact O-N 3.02Å; Y243-A246 PolarHBondContact O-N 3.36Å; E244-A246 VanDerWaalsContact C-N 3.32Å; E244-A246 PolarHBondContact O-N 3.25Å; A246-S250 VanDerWaalsContact O-CB 3.32Å; A246-S250 WeakPolarHBondContact O-CB 3.4Å; A246-S250 PolarHBondContact O-N 3.4Å; A246-S250 PolarHBondContact O-OG 2.83Å; A246-A270 HydrophobicContact CB-CB 3.93Å |
| 247 | A | 97.6 | Very high | 96.7 | Very high | 10 Ų | 10 | 52.3 Ų | 52.3 | 8% | 0.083 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -65.8 | -42.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y243 E244 S250 W251 L267 A270 | Y243-A247 WeakPolarHBondContact O-CB 3.46Å; Y243-A247 PolarHBondContact O-N 3Å; E244-A247 PolarHBondContact O-N 3.24Å; A247-S250 PolarHBondContact O-N 3.07Å; A247-W251 VanDerWaalsContact O-CD1 3.23Å; A247-W251 PolarHBondContact O-N 3.42Å; A247-L267 HydrophobicContact CB-CD1 3.94Å; A247-A270 HydrophobicContact CB-CB 4Å |
| 248 | E | 97.9 | Very high | 96.6 | Very high | 128 Ų | 128 | 54.7 Ų | 54.7 | 60% | 0.598 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -63.1 | -44.8 | 176.1 | -172.3 | -178 | 173.4 | 0 | 0 | 112.1 | E244 D245 S250 W251 S252 | E244-E248 PolarHBondContact O-N 3.4Å; D245-E248 PolarHBondContact O-N 2.89Å; E248-S250 VanDerWaalsContact C-N 3.31Å; E248-S250 PolarHBondContact O-N 2.97Å; E248-W251 PolarHBondContact O-N 3.2Å; E248-S252 PolarHBondContact O-N 3.43Å; E248-S252 PolarHBondContact O-OG 3.48Å |
| 249 | C | 97.6 | Very high | 96.7 | Very high | 11 Ų | 11 | 58 Ų | 58 | 7% | 0.074 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61.7 | -41.6 | 174.3 | -70.1 | 0 | 0 | 0 | 0 | 111.2 | A234 D245 S252 L253 | A234-C249 HydrophobicContact CB-CB 3.78Å; D245-C249 WeakPolarHBondContact O-CB 3.37Å; D245-C249 PolarHBondContact O-N 3.35Å; D245-C249 PolarHBondContact O-SG 3.16Å; C249-S252 WeakPolarHBondContact O-CB 3.31Å; C249-S252 PolarHBondContact O-N 3.23Å; C249-L253 WeakPolarHBondContact O-CG 3.36Å; C249-L253 PolarHBondContact O-N 2.9Å |
| 250 | S | 98.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -65.8 | -40.6 | 178.3 | -57.3 | 0 | 0 | 0 | 0 | 111.9 | A246 A247 E248 L253 I254 L266 | A246-S250 VanDerWaalsContact O-CB 3.32Å; A246-S250 WeakPolarHBondContact O-CB 3.4Å; A246-S250 PolarHBondContact O-N 3.4Å; A246-S250 PolarHBondContact O-OG 2.83Å; A247-S250 PolarHBondContact O-N 3.07Å; E248-S250 VanDerWaalsContact C-N 3.31Å; E248-S250 PolarHBondContact O-N 2.97Å; S250-L253 WeakPolarHBondContact O-CB 3.41Å; S250-L253 PolarHBondContact O-N 3.44Å; S250-I254 VanDerWaalsContact O-CG1 3.3Å; S250-I254 WeakPolarHBondContact O-CG1 3.41Å; S250-I254 PolarHBondContact O-N 2.9Å; S250-L266 WeakPolarHBondContact OG-CB 3.29Å |
| 251 | W | 98.2 | Very high | 96.9 | Very high | 52 Ų | 52 | 58.6 Ų | 58.6 | 20% | 0.197 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -62.2 | -42.5 | 171.1 | -83.9 | 116.3 | 0 | 0 | 0 | 112.1 | A247 E248 L253 I254 D255 L267 V293 R296 Y297 | A247-W251 VanDerWaalsContact O-CD1 3.23Å; A247-W251 PolarHBondContact O-N 3.42Å; E248-W251 PolarHBondContact O-N 3.2Å; W251-L253 PolarHBondContact O-N 3.22Å; W251-I254 HydrophobicContact CE3-CB 4.3Å; W251-I254 HydrophobicContact CE3-CD1 4.24Å; W251-I254 HydrophobicContact CE3-CG2 4.19Å; W251-I254 HydrophobicContact CZ3-CD1 4.49Å; W251-I254 HydrophobicContact CZ3-CG2 4.16Å; W251-I254 PolarHBondContact O-N 2.73Å; W251-I254 VanDerWaalsContact O-N 3.16Å; W251-D255 WeakPolarHBondContact O-CB 3.33Å; W251-D255 PolarHBondContact O-N 3.05Å; W251-L267 HydrophobicContact CD2-CD2 4.09Å; W251-L267 HydrophobicContact CG-CD1 4.4Å; W251-L267 HydrophobicContact CH2-CD2 4.21Å; W251-L267 HydrophobicContact CZ2-CD2 3.69Å; W251-V293 HydrophobicContact CH2-CB 4.3Å; W251-V293 HydrophobicContact CH2-CG2 3.66Å; W251-V293 HydrophobicContact CZ2-CG2 4.3Å; W251-V293 HydrophobicContact CZ3-CG2 4.09Å; W251-R296 HydrophobicContact CH2-CB 4.47Å; W251-R296 HydrophobicContact CZ3-CB 4.44Å; W251-Y297 HydrophobicContact CZ3-CE2 4.24Å |
| 252 | S | 98 | Very high | 97 | Very high | 45 Ų | 45 | 59.9 Ų | 59.9 | 32% | 0.315 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -60 | -32.3 | 175 | -61 | 0 | 0 | 0 | 0 | 112.5 | E248 C249 R256 | E248-S252 PolarHBondContact O-N 3.43Å; E248-S252 PolarHBondContact O-OG 3.48Å; C249-S252 WeakPolarHBondContact O-CB 3.31Å; C249-S252 PolarHBondContact O-N 3.23Å; S252-R256 WeakPolarHBondContact O-CD 3.28Å; S252-R256 VanDerWaalsContact O-CG 3.3Å; S252-R256 WeakPolarHBondContact O-CG 3.18Å |
| 253 | L | 98.2 | Very high | 97.1 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -74.2 | -45 | 173.3 | -70.8 | 167.5 | 0 | 0 | 0 | 112 | L230 E231 A234 C249 S250 W251 D255 R256 N257 Y263 L266 | L230-L253 HydrophobicContact CB-CD2 3.61Å; L230-L253 HydrophobicContact CB-CG 4.04Å; L230-L253 HydrophobicContact CD1-CD2 4.31Å; E231-L253 HydrophobicContact CG-CD1 4.13Å; E231-L253 HydrophobicContact CG-CD2 3.92Å; A234-L253 HydrophobicContact CB-CD1 4.19Å; C249-L253 WeakPolarHBondContact O-CG 3.36Å; C249-L253 PolarHBondContact O-N 2.9Å; S250-L253 WeakPolarHBondContact O-CB 3.41Å; S250-L253 PolarHBondContact O-N 3.44Å; W251-L253 PolarHBondContact O-N 3.22Å; L253-D255 VanDerWaalsContact C-N 3.32Å; L253-D255 PolarHBondContact O-N 2.9Å; L253-R256 WeakPolarHBondContact O-CB 3.26Å; L253-R256 PolarHBondContact O-N 2.71Å; L253-R256 VanDerWaalsContact O-N 3.08Å; L253-N257 PolarHBondContact O-N 3.24Å; L253-Y263 HydrophobicContact CB-CD1 3.84Å; L253-Y263 HydrophobicContact CB-CD2 3.62Å; L253-Y263 HydrophobicContact CB-CE1 4.13Å; L253-Y263 HydrophobicContact CB-CE2 3.91Å; L253-Y263 HydrophobicContact CB-CG 3.6Å; L253-Y263 HydrophobicContact CD1-CD1 3.9Å; L253-Y263 HydrophobicContact CD1-CE1 4.07Å; L253-Y263 HydrophobicContact CD1-CG 4.47Å; L253-Y263 HydrophobicContact CD2-CD1 4.48Å; L253-Y263 HydrophobicContact CD2-CE1 4Å; L253-Y263 HydrophobicContact CD2-CE2 4.35Å; L253-Y263 HydrophobicContact CG-CD1 4.3Å; L253-Y263 HydrophobicContact CG-CE1 4.3Å; L253-Y263 WeakPolarHBondContact O-CD2 3.35Å; L253-L266 HydrophobicContact CD1-CD1 4.24Å |
| 254 | I | 97.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -61.2 | -40.8 | 176.7 | -68.9 | 165.5 | 0 | 0 | 0 | 111 | S250 W251 R256 N257 Q258 L264 L267 V293 Y297 | S250-I254 VanDerWaalsContact O-CG1 3.3Å; S250-I254 WeakPolarHBondContact O-CG1 3.41Å; S250-I254 PolarHBondContact O-N 2.9Å; W251-I254 HydrophobicContact CE3-CB 4.3Å; W251-I254 HydrophobicContact CE3-CD1 4.24Å; W251-I254 HydrophobicContact CE3-CG2 4.19Å; W251-I254 HydrophobicContact CZ3-CD1 4.49Å; W251-I254 HydrophobicContact CZ3-CG2 4.16Å; W251-I254 PolarHBondContact O-N 2.73Å; W251-I254 VanDerWaalsContact O-N 3.16Å; I254-R256 PolarHBondContact O-N 2.99Å; I254-R256 VanDerWaalsContact O-N 3.14Å; I254-N257 CarbonylContact O-C 3.39Å; I254-N257 PolarHBondContact O-N 2.88Å; I254-N257 VanDerWaalsContact O-N 3.11Å; I254-Q258 HydrophobicContact CG2-CB 4.09Å; I254-Q258 PolarHBondContact O-N 2.75Å; I254-Q258 VanDerWaalsContact O-N 3.09Å; I254-L264 HydrophobicContact CD1-CD2 4Å; I254-L264 HydrophobicContact CG1-CD2 4.29Å; I254-L267 HydrophobicContact CD1-CB 4.07Å; I254-L267 HydrophobicContact CD1-CD2 3.54Å; I254-L267 HydrophobicContact CD1-CG 4.39Å; I254-V293 HydrophobicContact CD1-CG2 4.26Å; I254-V293 HydrophobicContact CG2-CG1 4.39Å; I254-Y297 HydrophobicContact CG2-CD2 4.06Å; I254-Y297 HydrophobicContact CG2-CE2 3.86Å |
| 255 | D | 97.1 | Very high | 97 | Very high | 69 Ų | 69 | 50.5 Ų | 50.5 | 37% | 0.369 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61 | -23.6 | 177.6 | -71.7 | 1.7 | 0 | 0 | 0 | 111.9 | W251 L253 R296 Y297 | W251-D255 WeakPolarHBondContact O-CB 3.33Å; W251-D255 PolarHBondContact O-N 3.05Å; L253-D255 VanDerWaalsContact C-N 3.32Å; L253-D255 PolarHBondContact O-N 2.9Å; D255-R296 IonicContact OD1-CZ 3.86Å; D255-R296 IonicContact OD1-NE 2.88Å; D255-R296 IonicContact OD1-NH1 3.8Å; D255-R296 PolarHBondContact OD1-NH1 2.99Å; D255-R296 IonicContact OD1-NH2 3.27Å; D255-R296 PolarHBondContact OD1-NH2 3.14Å; D255-R296 IonicContact OD2-CZ 2.72Å; D255-R296 IonicContact OD2-NH1 3.91Å; D255-R296 IonicContact OD2-NH2 2.73Å; D255-R296 PolarHBondContact OD2-NH2 3.08Å; D255-Y297 PolarHBondContact OD1-OH 3.03Å |
| 256 | R | 95.8 | Very high | 97 | Very high | 149 Ų | 149 | 47.5 Ų | 47.5 | 56% | 0.562 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88 | -38 | 174.3 | -63 | 172 | 69.8 | 77.5 | 4.1 | 112.6 | S252 L253 I254 | S252-R256 WeakPolarHBondContact O-CD 3.28Å; S252-R256 VanDerWaalsContact O-CG 3.3Å; S252-R256 WeakPolarHBondContact O-CG 3.18Å; L253-R256 WeakPolarHBondContact O-CB 3.26Å; L253-R256 PolarHBondContact O-N 2.71Å; L253-R256 VanDerWaalsContact O-N 3.08Å; I254-R256 PolarHBondContact O-N 2.99Å; I254-R256 VanDerWaalsContact O-N 3.14Å |
| 257 | N | 96.7 | Very high | 97 | Very high | 71 Ų | 71 | 47.5 Ų | 47.5 | 38% | 0.38 | 22% | 0.222 | S | C | . | . | trans | -154.5 | 99.6 | 176.9 | -178.6 | 6.2 | 0 | 0 | 0 | 111.9 | L253 I254 E259 N260 Y263 | L253-N257 PolarHBondContact O-N 3.24Å; I254-N257 CarbonylContact O-C 3.39Å; I254-N257 PolarHBondContact O-N 2.88Å; I254-N257 VanDerWaalsContact O-N 3.11Å; N257-E259 PolarHBondContact O-N 3.46Å; N257-E259 PolarHBondContact OD1-N 2.91Å; N257-N260 PolarHBondContact O-N 2.98Å; N257-Y263 HydrophobicContact CB-CE2 4.23Å; N257-Y263 WeakPolarHBondContact O-CD2 3.26Å | ||
| 258 | Q | 95.2 | Very high | 96.9 | Very high | 61 Ų | 61 | 47.3 Ų | 47.3 | 29% | 0.285 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76 | 1.5 | 178.2 | 71.2 | -87.1 | 21.2 | 0 | 0 | 114.9 | I254 Y297 S300 | I254-Q258 HydrophobicContact CG2-CB 4.09Å; I254-Q258 PolarHBondContact O-N 2.75Å; I254-Q258 VanDerWaalsContact O-N 3.09Å; Q258-Y297 HydrophobicContact CB-CD2 4.37Å; Q258-Y297 HydrophobicContact CB-CG 4.23Å; Q258-Y297 HydrophobicContact CG-CD1 4.47Å; Q258-Y297 HydrophobicContact CG-CG 4.36Å; Q258-S300 PolarHBondContact O-OG 3.36Å |
| 259 | E | 96.3 | Very high | 96.8 | Very high | 81 Ų | 81 | 45 Ų | 45 | 38% | 0.379 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -108.6 | 14.6 | 177.5 | -57.2 | -64.2 | 157.2 | 0 | 0 | 112.2 | N257 S300 R301 L302 | N257-E259 PolarHBondContact O-N 3.46Å; N257-E259 PolarHBondContact OD1-N 2.91Å; E259-S300 WeakPolarHBondContact OE1-CA 3.46Å; E259-R301 PolarHBondContact OE1-N 3.39Å; E259-L302 WeakPolarHBondContact O-CD2 3.4Å; E259-L302 WeakPolarHBondContact OE2-CB 3.23Å; E259-L302 PolarHBondContact OE2-N 2.74Å |
| 260 | N | 96.9 | Very high | 96.8 | Very high | 43 Ų | 43 | 44.4 Ų | 44.4 | 23% | 0.23 | 21% | 0.206 | C | C | . | . | trans | -96.8 | 118.2 | 172.3 | -170.1 | -25.9 | 0 | 0 | 0 | 111.1 | N257 L262 Y263 | N257-N260 PolarHBondContact O-N 2.98Å; N260-L262 VanDerWaalsContact C-N 3.33Å; N260-L262 PolarHBondContact O-N 2.87Å; N260-L262 WeakPolarHBondContact OD1-CB 3.39Å; N260-L262 PolarHBondContact OD1-N 3.4Å; N260-Y263 HydrophobicContact CB-CD1 4.42Å; N260-Y263 HydrophobicContact CB-CD2 3.52Å; N260-Y263 HydrophobicContact CB-CE1 4.5Å; N260-Y263 HydrophobicContact CB-CE2 3.64Å; N260-Y263 HydrophobicContact CB-CG 3.93Å; N260-Y263 WeakPolarHBondContact ND2-CE1 3.42Å; N260-Y263 PolarHBondContact ND2-OH 2.9Å; N260-Y263 PolarHBondContact O-N 3.42Å | ||
| 261 | R | 96.1 | Very high | 96.7 | Very high | 137 Ų | 137 | 46.2 Ų | 46.2 | 52% | 0.517 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -59.7 | -39.3 | -179.5 | 179.4 | 172.4 | 173.1 | 151.9 | 3 | 113.1 | Y263 L264 E265 L302 L306 | R261-Y263 PolarHBondContact O-N 2.91Å; R261-L264 PolarHBondContact O-N 3.28Å; R261-E265 HydrophobicContact CG-CG 4.28Å; R261-E265 IonicContact CZ-OE1 2.91Å; R261-E265 IonicContact NE-OE1 3.52Å; R261-E265 PolarHBondContact NE-OE1 3.09Å; R261-E265 IonicContact NH2-OE1 3.65Å; R261-E265 PolarHBondContact NH2-OE1 3.4Å; R261-E265 WeakPolarHBondContact O-CG 3.36Å; R261-E265 PolarHBondContact O-N 2.97Å; R261-L302 HydrophobicContact CB-CD2 4.11Å; R261-L306 HydrophobicContact CG-CD1 4.4Å |
| 262 | L | 96.4 | Very high | 96.5 | Very high | 58 Ų | 58 | 43.7 Ų | 43.7 | 30% | 0.304 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -58.5 | -39.1 | -179.5 | 176.7 | 61 | 0 | 0 | 0 | 111.2 | N260 E265 L266 | N260-L262 VanDerWaalsContact C-N 3.33Å; N260-L262 PolarHBondContact O-N 2.87Å; N260-L262 WeakPolarHBondContact OD1-CB 3.39Å; N260-L262 PolarHBondContact OD1-N 3.4Å; L262-E265 PolarHBondContact O-N 3.47Å; L262-L266 HydrophobicContact CD1-CD1 4.23Å; L262-L266 HydrophobicContact CD1-CG 4.12Å; L262-L266 HydrophobicContact CG-CD1 4Å; L262-L266 HydrophobicContact CG-CG 4.35Å; L262-L266 WeakPolarHBondContact O-CB 3.3Å; L262-L266 VanDerWaalsContact O-CG 3.24Å; L262-L266 WeakPolarHBondContact O-CG 3.5Å; L262-L266 PolarHBondContact O-N 3.3Å |
| 263 | Y | 97.7 | Very high | 96.3 | Very high | 14 Ų | 14 | 41.7 Ų | 41.7 | 6% | 0.055 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -71.9 | -35.8 | -175.4 | -52.8 | -17.9 | 0 | 0 | 0 | 111.9 | E231 L253 N257 N260 R261 L267 | E231-Y263 HydrophobicContact CG-CE1 3.93Å; E231-Y263 VanDerWaalsContact OE1-CE1 3.23Å; E231-Y263 WeakPolarHBondContact OE1-CE1 3.37Å; E231-Y263 PolarHBondContact OE1-OH 3.43Å; L253-Y263 HydrophobicContact CB-CD1 3.84Å; L253-Y263 HydrophobicContact CB-CD2 3.62Å; L253-Y263 HydrophobicContact CB-CE1 4.13Å; L253-Y263 HydrophobicContact CB-CE2 3.91Å; L253-Y263 HydrophobicContact CB-CG 3.6Å; L253-Y263 HydrophobicContact CD1-CD1 3.9Å; L253-Y263 HydrophobicContact CD1-CE1 4.07Å; L253-Y263 HydrophobicContact CD1-CG 4.47Å; L253-Y263 HydrophobicContact CD2-CD1 4.48Å; L253-Y263 HydrophobicContact CD2-CE1 4Å; L253-Y263 HydrophobicContact CD2-CE2 4.35Å; L253-Y263 HydrophobicContact CG-CD1 4.3Å; L253-Y263 HydrophobicContact CG-CE1 4.3Å; L253-Y263 WeakPolarHBondContact O-CD2 3.35Å; N257-Y263 HydrophobicContact CB-CE2 4.23Å; N257-Y263 WeakPolarHBondContact O-CD2 3.26Å; N260-Y263 HydrophobicContact CB-CD1 4.42Å; N260-Y263 HydrophobicContact CB-CD2 3.52Å; N260-Y263 HydrophobicContact CB-CE1 4.5Å; N260-Y263 HydrophobicContact CB-CE2 3.64Å; N260-Y263 HydrophobicContact CB-CG 3.93Å; N260-Y263 WeakPolarHBondContact ND2-CE1 3.42Å; N260-Y263 PolarHBondContact ND2-OH 2.9Å; N260-Y263 PolarHBondContact O-N 3.42Å; R261-Y263 PolarHBondContact O-N 2.91Å; Y263-L267 WeakPolarHBondContact O-CB 3.42Å; Y263-L267 PolarHBondContact O-N 2.97Å |
| 264 | L | 96.6 | Very high | 96 | Very high | 1 Ų | 1 | 45.6 Ų | 45.6 | 1% | 0.005 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -67.1 | -40.9 | 173 | -60.5 | 179.3 | 0 | 0 | 0 | 111.3 | I254 R261 L267 A268 Y290 V293 L302 L306 | I254-L264 HydrophobicContact CD1-CD2 4Å; I254-L264 HydrophobicContact CG1-CD2 4.29Å; R261-L264 PolarHBondContact O-N 3.28Å; L264-L267 PolarHBondContact O-N 3.47Å; L264-A268 VanDerWaalsContact O-CB 3.3Å; L264-A268 WeakPolarHBondContact O-CB 3.29Å; L264-A268 PolarHBondContact O-N 3.26Å; L264-Y290 HydrophobicContact CB-CE1 3.79Å; L264-V293 HydrophobicContact CD2-CB 4.36Å; L264-V293 HydrophobicContact CD2-CG1 3.8Å; L264-V293 HydrophobicContact CD2-CG2 4.03Å; L264-L302 HydrophobicContact CD1-CD2 3.76Å; L264-L302 HydrophobicContact CD1-CG 3.87Å; L264-L306 HydrophobicContact CD1-CD1 3.82Å |
| 265 | E | 95.2 | Very high | 95.7 | Very high | 61 Ų | 61 | 50.8 Ų | 50.8 | 29% | 0.285 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -65.6 | -43.2 | 176.4 | -72.6 | 176.5 | 168.9 | 0 | 0 | 111.8 | R261 L262 A268 Q269 | R261-E265 HydrophobicContact CG-CG 4.28Å; R261-E265 IonicContact CZ-OE1 2.91Å; R261-E265 IonicContact NE-OE1 3.52Å; R261-E265 PolarHBondContact NE-OE1 3.09Å; R261-E265 IonicContact NH2-OE1 3.65Å; R261-E265 PolarHBondContact NH2-OE1 3.4Å; R261-E265 WeakPolarHBondContact O-CG 3.36Å; R261-E265 PolarHBondContact O-N 2.97Å; L262-E265 PolarHBondContact O-N 3.47Å; E265-A268 PolarHBondContact O-N 3.36Å; E265-Q269 WeakPolarHBondContact O-CB 3.44Å; E265-Q269 VanDerWaalsContact O-CG 3.27Å; E265-Q269 WeakPolarHBondContact O-CG 3.27Å; E265-Q269 PolarHBondContact O-N 3.45Å |
| 266 | L | 96.7 | Very high | 95.2 | Very high | 6 Ų | 6 | 50.1 Ų | 50.1 | 3% | 0.031 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -60.8 | -45.1 | 175.1 | -70.6 | 169.9 | 0 | 0 | 0 | 111.6 | A234 Q235 L238 S250 L253 L262 Q269 A270 | A234-L266 HydrophobicContact CB-CD1 4.05Å; Q235-L266 HydrophobicContact CG-CD2 3.84Å; L238-L266 HydrophobicContact CD1-CB 4.39Å; L238-L266 HydrophobicContact CD1-CD2 3.45Å; L238-L266 VanDerWaalsContact CD1-CD2 3.45Å; S250-L266 WeakPolarHBondContact OG-CB 3.29Å; L253-L266 HydrophobicContact CD1-CD1 4.24Å; L262-L266 HydrophobicContact CD1-CD1 4.23Å; L262-L266 HydrophobicContact CD1-CG 4.12Å; L262-L266 HydrophobicContact CG-CD1 4Å; L262-L266 HydrophobicContact CG-CG 4.35Å; L262-L266 WeakPolarHBondContact O-CB 3.3Å; L262-L266 VanDerWaalsContact O-CG 3.24Å; L262-L266 WeakPolarHBondContact O-CG 3.5Å; L262-L266 PolarHBondContact O-N 3.3Å; L266-Q269 PolarHBondContact O-N 2.78Å; L266-A270 WeakPolarHBondContact O-CB 3.43Å; L266-A270 PolarHBondContact O-N 2.7Å |
| 267 | L | 97.5 | Very high | 94.5 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -64.6 | -41.7 | 177 | -176.4 | 63.7 | 0 | 0 | 0 | 111.7 | A247 W251 I254 Y263 L264 A270 N271 T289 V293 | A247-L267 HydrophobicContact CB-CD1 3.94Å; W251-L267 HydrophobicContact CD2-CD2 4.09Å; W251-L267 HydrophobicContact CG-CD1 4.4Å; W251-L267 HydrophobicContact CH2-CD2 4.21Å; W251-L267 HydrophobicContact CZ2-CD2 3.69Å; I254-L267 HydrophobicContact CD1-CB 4.07Å; I254-L267 HydrophobicContact CD1-CD2 3.54Å; I254-L267 HydrophobicContact CD1-CG 4.39Å; Y263-L267 WeakPolarHBondContact O-CB 3.42Å; Y263-L267 PolarHBondContact O-N 2.97Å; L264-L267 PolarHBondContact O-N 3.47Å; L267-A270 PolarHBondContact O-N 3.39Å; L267-N271 WeakPolarHBondContact O-CB 3.44Å; L267-N271 PolarHBondContact O-N 2.94Å; L267-T289 HydrophobicContact CB-CG2 4.24Å; L267-T289 HydrophobicContact CD2-CG2 3.71Å; L267-T289 HydrophobicContact CG-CG2 3.6Å; L267-V293 HydrophobicContact CD2-CG2 3.74Å |
| 268 | A | 95.7 | Very high | 93.8 | Very high | 6 Ų | 6 | 46.7 Ų | 46.7 | 5% | 0.05 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -64.5 | -41 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | L264 E265 T272 T286 T289 Y290 | L264-A268 VanDerWaalsContact O-CB 3.3Å; L264-A268 WeakPolarHBondContact O-CB 3.29Å; L264-A268 PolarHBondContact O-N 3.26Å; E265-A268 PolarHBondContact O-N 3.36Å; A268-T272 VanDerWaalsContact O-CB 3.25Å; A268-T272 WeakPolarHBondContact O-CB 3.4Å; A268-T272 PolarHBondContact O-N 2.82Å; A268-T272 PolarHBondContact O-OG1 2.87Å; A268-T286 HydrophobicContact CB-CG2 3.89Å; A268-T289 HydrophobicContact CB-CG2 4.35Å; A268-Y290 HydrophobicContact CB-CE1 4.15Å |
| 269 | Q | 95.7 | Very high | 93 | Very high | 79 Ų | 79 | 46.6 Ų | 46.6 | 37% | 0.369 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -63.7 | -44.7 | 174.3 | -72.3 | 172.2 | 16.7 | 0 | 0 | 111.3 | L238 E265 L266 T272 A273 | L238-Q269 HydrophobicContact CD1-CB 4.17Å; L238-Q269 HydrophobicContact CD2-CB 4.21Å; E265-Q269 WeakPolarHBondContact O-CB 3.44Å; E265-Q269 VanDerWaalsContact O-CG 3.27Å; E265-Q269 WeakPolarHBondContact O-CG 3.27Å; E265-Q269 PolarHBondContact O-N 3.45Å; L266-Q269 PolarHBondContact O-N 2.78Å; Q269-T272 PolarHBondContact O-N 3.34Å; Q269-A273 WeakPolarHBondContact O-CB 2.99Å; Q269-A273 PolarHBondContact O-N 3.22Å |
| 270 | A | 96.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -60.9 | -51.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | L238 A246 A247 L266 L267 T272 A273 L274 | L238-A270 VanDerWaalsContact CD2-CA 3.47Å; L238-A270 HydrophobicContact CD2-CB 3.67Å; A246-A270 HydrophobicContact CB-CB 3.93Å; A247-A270 HydrophobicContact CB-CB 4Å; L266-A270 WeakPolarHBondContact O-CB 3.43Å; L266-A270 PolarHBondContact O-N 2.7Å; L267-A270 PolarHBondContact O-N 3.39Å; A270-T272 VanDerWaalsContact C-N 3.34Å; A270-T272 PolarHBondContact O-N 3.04Å; A270-A273 PolarHBondContact O-N 3.14Å; A270-L274 WeakPolarHBondContact O-CG 3.37Å; A270-L274 PolarHBondContact O-N 2.77Å |
| 271 | N | 96.2 | Very high | 91.1 | Very high | 37 Ų | 37 | 50 Ų | 50 | 20% | 0.198 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -65.7 | -36.4 | 179.9 | -73.5 | -16.5 | 0 | 0 | 0 | 112.6 | L267 L274 V275 T289 | L267-N271 WeakPolarHBondContact O-CB 3.44Å; L267-N271 PolarHBondContact O-N 2.94Å; N271-L274 PolarHBondContact O-N 3.4Å; N271-V275 WeakPolarHBondContact O-CG2 3.27Å; N271-V275 PolarHBondContact O-N 3.17Å; N271-T289 VanDerWaalsContact CB-OG1 3.31Å; N271-T289 WeakPolarHBondContact CB-OG1 3.2Å; N271-T289 VanDerWaalsContact ND2-CG2 3.31Å; N271-T289 WeakPolarHBondContact ND2-CG2 3.27Å; N271-T289 PolarHBondContact ND2-OG1 2.82Å |
| 272 | T | 94.5 | Very high | 90.6 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -64.5 | -46.1 | 175.5 | -59.6 | 0 | 0 | 0 | 0 | 110.5 | A268 Q269 A270 L274 V275 S276 D280 N282 T285 | A268-T272 VanDerWaalsContact O-CB 3.25Å; A268-T272 WeakPolarHBondContact O-CB 3.4Å; A268-T272 PolarHBondContact O-N 2.82Å; A268-T272 PolarHBondContact O-OG1 2.87Å; Q269-T272 PolarHBondContact O-N 3.34Å; A270-T272 VanDerWaalsContact C-N 3.34Å; A270-T272 PolarHBondContact O-N 3.04Å; T272-L274 VanDerWaalsContact C-N 3.34Å; T272-L274 PolarHBondContact O-N 3.02Å; T272-V275 PolarHBondContact O-N 3.11Å; T272-V275 VanDerWaalsContact O-N 3.08Å; T272-S276 PolarHBondContact O-N 3.24Å; T272-S276 PolarHBondContact O-OG 2.79Å; T272-D280 WeakPolarHBondContact CG2-O 3.39Å; T272-N282 HydrophobicContact CG2-CB 3.63Å; T272-T285 WeakPolarHBondContact CG2-OG1 3.34Å; T272-T285 PolarHBondContact OG1-OG1 2.85Å |
| 273 | A | 92.8 | Very high | 90.2 | Very high | 3 Ų | 3 | 47.9 Ų | 47.9 | 3% | 0.025 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -65.2 | -34.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y243 Q269 A270 V275 G277 I278 T279 | Y243-A273 HydrophobicContact CD1-CB 3.44Å; Y243-A273 VanDerWaalsContact CD1-CB 3.44Å; Y243-A273 HydrophobicContact CD2-CB 3.85Å; Y243-A273 HydrophobicContact CE1-CB 3.34Å; Y243-A273 HydrophobicContact CE2-CB 3.77Å; Y243-A273 HydrophobicContact CG-CB 3.7Å; Q269-A273 WeakPolarHBondContact O-CB 2.99Å; Q269-A273 PolarHBondContact O-N 3.22Å; A270-A273 PolarHBondContact O-N 3.14Å; A273-V275 VanDerWaalsContact C-N 3.26Å; A273-V275 PolarHBondContact O-N 2.59Å; A273-G277 VanDerWaalsContact O-CA 3.24Å; A273-G277 WeakPolarHBondContact O-CA 3.44Å; A273-G277 PolarHBondContact O-N 3.18Å; A273-I278 WeakPolarHBondContact CA-O 3.44Å; A273-I278 PolarHBondContact N-O 3.25Å; A273-T279 HydrophobicContact CB-CG2 3.98Å |
| 274 | L | 93.5 | Very high | 89.9 | Confident | 81 Ų | 81 | 51.3 Ų | 51.3 | 42% | 0.424 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -59.8 | -34.6 | 171 | -77.3 | 169.8 | 0 | 0 | 0 | 113.1 | Y243 E244 A270 N271 T272 | Y243-L274 HydrophobicContact CD2-CD2 4.47Å; E244-L274 HydrophobicContact CG-CD2 3.75Å; A270-L274 WeakPolarHBondContact O-CG 3.37Å; A270-L274 PolarHBondContact O-N 2.77Å; N271-L274 PolarHBondContact O-N 3.4Å; T272-L274 VanDerWaalsContact C-N 3.34Å; T272-L274 PolarHBondContact O-N 3.02Å |
| 275 | V | 90.3 | Very high | 89.7 | Confident | 110 Ų | 110 | 52 Ų | 52 | 67% | 0.667 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -90.8 | -43 | -175.7 | 175.2 | 0 | 0 | 0 | 0 | 112.3 | N271 T272 A273 T285 | N271-V275 WeakPolarHBondContact O-CG2 3.27Å; N271-V275 PolarHBondContact O-N 3.17Å; T272-V275 PolarHBondContact O-N 3.11Å; T272-V275 VanDerWaalsContact O-N 3.08Å; A273-V275 VanDerWaalsContact C-N 3.26Å; A273-V275 PolarHBondContact O-N 2.59Å; V275-T285 HydrophobicContact CB-CG2 3.93Å; V275-T285 HydrophobicContact CG1-CG2 3.9Å; V275-T285 HydrophobicContact CG2-CG2 4.2Å |
| 276 | S | 86.4 | Confident | 89.6 | Confident | 55 Ų | 55 | 49.1 Ų | 49.1 | 39% | 0.385 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -107.7 | -14.7 | -170.5 | 71.5 | 0 | 0 | 0 | 0 | 114.3 | T272 I278 | T272-S276 PolarHBondContact O-N 3.24Å; T272-S276 PolarHBondContact O-OG 2.79Å; S276-I278 PolarHBondContact O-N 2.82Å; S276-I278 PolarHBondContact OG-N 3.46Å; S276-I278 PolarHBondContact OG-O 2.61Å; S276-I278 VanDerWaalsContact OG-O 3.13Å |
| 277 | G | 81.8 | Confident | 89.5 | Confident | 50 Ų | 50 | 49.9 Ų | 49.9 | 52% | 0.515 | 30% | 0.297 | S | S | . | . | S | Bend | trans | 74.5 | 4.1 | -170.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | A273 | A273-G277 VanDerWaalsContact O-CA 3.24Å; A273-G277 WeakPolarHBondContact O-CA 3.44Å; A273-G277 PolarHBondContact O-N 3.18Å |
| 278 | I | 82.4 | Confident | 89.4 | Confident | 98 Ų | 98 | 55.3 Ų | 55.3 | 50% | 0.503 | 32% | 0.321 | S | S | . | . | trans | -124.6 | 138.8 | 178.9 | -50.1 | 174.2 | 0 | 0 | 0 | 108.6 | A273 S276 D280 | A273-I278 WeakPolarHBondContact CA-O 3.44Å; A273-I278 PolarHBondContact N-O 3.25Å; S276-I278 PolarHBondContact O-N 2.82Å; S276-I278 PolarHBondContact OG-N 3.46Å; S276-I278 PolarHBondContact OG-O 2.61Å; S276-I278 VanDerWaalsContact OG-O 3.13Å; I278-D280 VanDerWaalsContact C-N 3.3Å; I278-D280 HydrophobicContact CG2-CB 3.95Å; I278-D280 PolarHBondContact O-N 3.28Å | ||
| 279 | T | 78 | Confident | 89.4 | Confident | 59 Ų | 59 | 55.2 Ų | 55.2 | 36% | 0.362 | 32% | 0.319 | S | S | . | . | trans | -79.3 | -10.6 | -179.7 | 50 | 0 | 0 | 0 | 0 | 114.3 | Y243 A273 | Y243-T279 HydrophobicContact CE1-CG2 4.13Å; A273-T279 HydrophobicContact CB-CG2 3.98Å | ||
| 280 | D | 80.1 | Confident | 89.4 | Confident | 118 Ų | 118 | 51.7 Ų | 51.7 | 63% | 0.631 | 30% | 0.303 | S | S | * | . | S | Bend | trans | -63.9 | 142.4 | -179.7 | -67.8 | -19.4 | 0 | 0 | 0 | 110.9 | T272 I278 N282 | T272-D280 WeakPolarHBondContact CG2-O 3.39Å; I278-D280 VanDerWaalsContact C-N 3.3Å; I278-D280 HydrophobicContact CG2-CB 3.95Å; I278-D280 PolarHBondContact O-N 3.28Å; D280-N282 PolarHBondContact O-N 2.87Å |
| 281 | A | 72.5 | Confident | 89.5 | Confident | 78 Ų | 78 | 54.9 Ų | 54.9 | 65% | 0.645 | 32% | 0.317 | S | S | * | . | trans | -58.5 | 115.1 | -178.1 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 282 | N | 85.1 | Confident | 89.5 | Confident | 66 Ų | 66 | 55.3 Ų | 55.3 | 35% | 0.353 | 32% | 0.324 | S | S | . | . | trans | -100.8 | 127.4 | 166.7 | 172.1 | -25.5 | 0 | 0 | 0 | 108.3 | T272 D280 E284 T285 T286 | T272-N282 HydrophobicContact CG2-CB 3.63Å; D280-N282 PolarHBondContact O-N 2.87Å; N282-E284 VanDerWaalsContact C-N 3.31Å; N282-E284 PolarHBondContact O-N 2.76Å; N282-E284 PolarHBondContact OD1-N 2.81Å; N282-T285 VanDerWaalsContact CB-OG1 3.3Å; N282-T285 WeakPolarHBondContact CB-OG1 3.42Å; N282-T285 PolarHBondContact O-N 3.06Å; N282-T285 PolarHBondContact O-OG1 2.7Å; N282-T285 VanDerWaalsContact O-OG1 3.06Å; N282-T286 VanDerWaalsContact O-CB 3.24Å; N282-T286 WeakPolarHBondContact O-CB 3.44Å; N282-T286 PolarHBondContact O-N 3.26Å; N282-T286 PolarHBondContact O-OG1 2.91Å | ||
| 283 | T | 88 | Confident | 89.6 | Confident | 84 Ų | 84 | 55.3 Ų | 55.3 | 52% | 0.515 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -53.4 | -46.4 | -175.6 | -53.9 | 0 | 0 | 0 | 0 | 112.4 | K287 Y310 | T283-K287 WeakPolarHBondContact O-CB 3.17Å; T283-K287 PolarHBondContact O-N 3.2Å; T283-Y310 HydrophobicContact CG2-CD1 4.03Å |
| 284 | E | 91.7 | Very high | 89.8 | Confident | 86 Ų | 86 | 56.7 Ų | 56.7 | 40% | 0.402 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -74.1 | -41.1 | -173.3 | -178.9 | 60.4 | -162.8 | 0 | 0 | 112.2 | N282 K288 | N282-E284 VanDerWaalsContact C-N 3.31Å; N282-E284 PolarHBondContact O-N 2.76Å; N282-E284 PolarHBondContact OD1-N 2.81Å; E284-K288 WeakPolarHBondContact O-CG 3.43Å; E284-K288 PolarHBondContact O-N 3.1Å; E284-K288 WeakPolarHBondContact OE1-CE 3.44Å; E284-K288 IonicContact OE1-NZ 3.89Å; E284-K288 PolarHBondContact OE1-NZ 3.37Å |
| 285 | T | 92.3 | Very high | 90 | Very high | 14 Ų | 14 | 56.6 Ų | 56.6 | 9% | 0.086 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -71.2 | -40.1 | 178 | 52.1 | 0 | 0 | 0 | 0 | 111.8 | T272 V275 N282 K287 K288 T289 | T272-T285 WeakPolarHBondContact CG2-OG1 3.34Å; T272-T285 PolarHBondContact OG1-OG1 2.85Å; V275-T285 HydrophobicContact CB-CG2 3.93Å; V275-T285 HydrophobicContact CG1-CG2 3.9Å; V275-T285 HydrophobicContact CG2-CG2 4.2Å; N282-T285 VanDerWaalsContact CB-OG1 3.3Å; N282-T285 WeakPolarHBondContact CB-OG1 3.42Å; N282-T285 PolarHBondContact O-N 3.06Å; N282-T285 PolarHBondContact O-OG1 2.7Å; N282-T285 VanDerWaalsContact O-OG1 3.06Å; T285-K287 VanDerWaalsContact C-N 3.34Å; T285-K288 PolarHBondContact O-N 3.07Å; T285-T289 WeakPolarHBondContact O-CB 3.21Å; T285-T289 PolarHBondContact O-N 2.96Å; T285-T289 PolarHBondContact O-OG1 3.28Å |
| 286 | T | 94.2 | Very high | 90.4 | Very high | 2 Ų | 2 | 57.2 Ų | 57.2 | 1% | 0.012 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -63.6 | -43.9 | 177 | -57.6 | 0 | 0 | 0 | 0 | 110.5 | A268 N282 T289 Y290 Y310 | A268-T286 HydrophobicContact CB-CG2 3.89Å; N282-T286 VanDerWaalsContact O-CB 3.24Å; N282-T286 WeakPolarHBondContact O-CB 3.44Å; N282-T286 PolarHBondContact O-N 3.26Å; N282-T286 PolarHBondContact O-OG1 2.91Å; T286-T289 WeakPolarHBondContact O-CB 3.39Å; T286-T289 PolarHBondContact O-N 2.96Å; T286-Y290 HydrophobicContact CG2-CD2 4.36Å; T286-Y290 HydrophobicContact CG2-CE1 4.3Å; T286-Y290 HydrophobicContact CG2-CE2 3.9Å; T286-Y290 PolarHBondContact O-N 3.16Å; T286-Y310 HydrophobicContact CG2-CD1 4.29Å; T286-Y310 HydrophobicContact CG2-CD2 4.09Å; T286-Y310 HydrophobicContact CG2-CE1 3.82Å; T286-Y310 HydrophobicContact CG2-CE2 3.62Å; T286-Y310 HydrophobicContact CG2-CG 4.4Å; T286-Y310 VanDerWaalsContact CG2-CZ 3.44Å |
| 287 | K | 94.5 | Very high | 90.8 | Very high | 21 Ų | 21 | 57 Ų | 57 | 9% | 0.091 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -58.2 | -52.7 | 174.1 | 178.8 | -172.3 | 170.1 | -167 | 0 | 112.2 | T283 T285 T289 Y290 E291 I307 E315 | T283-K287 WeakPolarHBondContact O-CB 3.17Å; T283-K287 PolarHBondContact O-N 3.2Å; T285-K287 VanDerWaalsContact C-N 3.34Å; K287-T289 PolarHBondContact O-N 3.49Å; K287-Y290 PolarHBondContact O-N 2.88Å; K287-Y290 VanDerWaalsContact O-N 3.08Å; K287-E291 WeakPolarHBondContact O-CG 3.49Å; K287-E291 PolarHBondContact O-N 2.85Å; K287-I307 HydrophobicContact CG-CD1 4.22Å; K287-I307 HydrophobicContact CG-CG1 4.19Å; K287-E315 VanDerWaalsContact CE-CD 3.43Å; K287-E315 WeakPolarHBondContact CE-OE1 3.42Å; K287-E315 WeakPolarHBondContact CE-OE2 3.24Å; K287-E315 IonicContact NZ-OE1 3.73Å; K287-E315 PolarHBondContact NZ-OE1 3.36Å; K287-E315 IonicContact NZ-OE2 3.46Å; K287-E315 PolarHBondContact NZ-OE2 2.91Å |
| 288 | K | 95.5 | Very high | 91.4 | Very high | 115 Ų | 115 | 57.8 Ų | 57.8 | 50% | 0.5 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -57.2 | -37.5 | 175.9 | -77.8 | 175.7 | 176.8 | 155.8 | 0 | 112.9 | E284 T285 E291 S292 | E284-K288 WeakPolarHBondContact O-CG 3.43Å; E284-K288 PolarHBondContact O-N 3.1Å; E284-K288 WeakPolarHBondContact OE1-CE 3.44Å; E284-K288 IonicContact OE1-NZ 3.89Å; E284-K288 PolarHBondContact OE1-NZ 3.37Å; T285-K288 PolarHBondContact O-N 3.07Å; K288-E291 WeakPolarHBondContact O-CB 3.45Å; K288-E291 PolarHBondContact O-N 3.01Å; K288-S292 PolarHBondContact O-N 3.49Å |
| 289 | T | 95.5 | Very high | 91.8 | Very high | 4 Ų | 4 | 60.2 Ų | 60.2 | 3% | 0.025 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -60.6 | -50.2 | 174.8 | -61.9 | 0 | 0 | 0 | 0 | 110.6 | L267 A268 N271 T285 T286 K287 E291 S292 V293 | L267-T289 HydrophobicContact CB-CG2 4.24Å; L267-T289 HydrophobicContact CD2-CG2 3.71Å; L267-T289 HydrophobicContact CG-CG2 3.6Å; A268-T289 HydrophobicContact CB-CG2 4.35Å; N271-T289 VanDerWaalsContact CB-OG1 3.31Å; N271-T289 WeakPolarHBondContact CB-OG1 3.2Å; N271-T289 VanDerWaalsContact ND2-CG2 3.31Å; N271-T289 WeakPolarHBondContact ND2-CG2 3.27Å; N271-T289 PolarHBondContact ND2-OG1 2.82Å; T285-T289 WeakPolarHBondContact O-CB 3.21Å; T285-T289 PolarHBondContact O-N 2.96Å; T285-T289 PolarHBondContact O-OG1 3.28Å; T286-T289 WeakPolarHBondContact O-CB 3.39Å; T286-T289 PolarHBondContact O-N 2.96Å; K287-T289 PolarHBondContact O-N 3.49Å; T289-E291 VanDerWaalsContact C-N 3.31Å; T289-E291 PolarHBondContact O-N 3.34Å; T289-S292 WeakPolarHBondContact O-CB 3.38Å; T289-S292 PolarHBondContact O-N 3.03Å; T289-S292 VanDerWaalsContact O-N 3.12Å; T289-S292 PolarHBondContact O-OG 2.8Å; T289-V293 WeakPolarHBondContact O-CG2 3.32Å; T289-V293 PolarHBondContact O-N 3.06Å; T289-V293 VanDerWaalsContact O-N 3.08Å |
| 290 | Y | 96.4 | Very high | 92.5 | Very high | 5 Ų | 5 | 57.4 Ų | 57.4 | 2% | 0.02 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -66.7 | -31.5 | 178.4 | -66.2 | -8.4 | 0 | 0 | 0 | 112.9 | L264 A268 T286 K287 S292 V293 I294 L306 I307 Y310 | L264-Y290 HydrophobicContact CB-CE1 3.79Å; A268-Y290 HydrophobicContact CB-CE1 4.15Å; T286-Y290 HydrophobicContact CG2-CD2 4.36Å; T286-Y290 HydrophobicContact CG2-CE1 4.3Å; T286-Y290 HydrophobicContact CG2-CE2 3.9Å; T286-Y290 PolarHBondContact O-N 3.16Å; K287-Y290 PolarHBondContact O-N 2.88Å; K287-Y290 VanDerWaalsContact O-N 3.08Å; Y290-S292 VanDerWaalsContact C-N 3.34Å; Y290-V293 PolarHBondContact O-N 2.7Å; Y290-I294 WeakPolarHBondContact O-CB 3.38Å; Y290-I294 WeakPolarHBondContact O-CD1 3.24Å; Y290-I294 WeakPolarHBondContact O-CG1 3.32Å; Y290-I294 PolarHBondContact O-N 3.32Å; Y290-L306 HydrophobicContact CD2-CB 4.09Å; Y290-L306 HydrophobicContact CE2-CB 3.66Å; Y290-L306 HydrophobicContact CE2-CD1 4.47Å; Y290-I307 HydrophobicContact CD2-CB 4.24Å; Y290-Y310 HydrophobicContact CD2-CD2 4.34Å; Y290-Y310 HydrophobicContact CD2-CE2 4.32Å; Y290-Y310 HydrophobicContact CE2-CD2 4.14Å; Y290-Y310 AromaticContact CE2-CE2 3.67Å; Y290-Y310 HydrophobicContact CE2-CE2 3.67Å |
| 291 | E | 97 | Very high | 93.1 | Very high | 66 Ų | 66 | 58.8 Ų | 58.8 | 31% | 0.308 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -60.7 | -43.6 | 169.9 | -68.5 | 171.3 | 161.8 | 0 | 0 | 111.7 | K287 K288 T289 V293 I294 A295 I307 R319 | K287-E291 WeakPolarHBondContact O-CG 3.49Å; K287-E291 PolarHBondContact O-N 2.85Å; K288-E291 WeakPolarHBondContact O-CB 3.45Å; K288-E291 PolarHBondContact O-N 3.01Å; T289-E291 VanDerWaalsContact C-N 3.31Å; T289-E291 PolarHBondContact O-N 3.34Å; E291-V293 VanDerWaalsContact C-N 3.31Å; E291-V293 PolarHBondContact O-N 3.39Å; E291-I294 PolarHBondContact O-N 3.1Å; E291-A295 WeakPolarHBondContact O-CB 3.35Å; E291-A295 PolarHBondContact O-N 3.07Å; E291-I307 HydrophobicContact CG-CD1 3.56Å; E291-R319 IonicContact OE1-CZ 3.62Å; E291-R319 IonicContact OE1-NH1 2.99Å; E291-R319 IonicContact OE1-NH2 3.39Å; E291-R319 PolarHBondContact OE1-NH2 3.26Å |
| 292 | S | 97.1 | Very high | 94.2 | Very high | 47 Ų | 47 | 56.9 Ų | 56.9 | 33% | 0.329 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -63.2 | -38.2 | 176.9 | 78.6 | 0 | 0 | 0 | 0 | 112.2 | K288 T289 Y290 A295 R296 | K288-S292 PolarHBondContact O-N 3.49Å; T289-S292 WeakPolarHBondContact O-CB 3.38Å; T289-S292 PolarHBondContact O-N 3.03Å; T289-S292 VanDerWaalsContact O-N 3.12Å; T289-S292 PolarHBondContact O-OG 2.8Å; Y290-S292 VanDerWaalsContact C-N 3.34Å; S292-A295 PolarHBondContact O-N 2.88Å; S292-R296 PolarHBondContact O-N 3.19Å; S292-R296 VanDerWaalsContact O-N 3.08Å |
| 293 | V | 97.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -68.2 | -44.3 | 175.1 | 179.7 | 0 | 0 | 0 | 0 | 110.9 | W251 I254 L264 L267 T289 Y290 E291 A295 R296 Y297 S303 | W251-V293 HydrophobicContact CH2-CB 4.3Å; W251-V293 HydrophobicContact CH2-CG2 3.66Å; W251-V293 HydrophobicContact CZ2-CG2 4.3Å; W251-V293 HydrophobicContact CZ3-CG2 4.09Å; I254-V293 HydrophobicContact CD1-CG2 4.26Å; I254-V293 HydrophobicContact CG2-CG1 4.39Å; L264-V293 HydrophobicContact CD2-CB 4.36Å; L264-V293 HydrophobicContact CD2-CG1 3.8Å; L264-V293 HydrophobicContact CD2-CG2 4.03Å; L267-V293 HydrophobicContact CD2-CG2 3.74Å; T289-V293 WeakPolarHBondContact O-CG2 3.32Å; T289-V293 PolarHBondContact O-N 3.06Å; T289-V293 VanDerWaalsContact O-N 3.08Å; Y290-V293 PolarHBondContact O-N 2.7Å; E291-V293 VanDerWaalsContact C-N 3.31Å; E291-V293 PolarHBondContact O-N 3.39Å; V293-A295 VanDerWaalsContact C-N 3.29Å; V293-A295 PolarHBondContact O-N 2.84Å; V293-R296 PolarHBondContact O-N 2.75Å; V293-Y297 HydrophobicContact CG1-CD2 4.45Å; V293-Y297 WeakPolarHBondContact O-CA 3.3Å; V293-Y297 PolarHBondContact O-N 3.44Å; V293-S303 WeakPolarHBondContact CG1-OG 3.37Å |
| 294 | I | 96.9 | Very high | 95.1 | Very high | 32 Ų | 32 | 54.3 Ų | 54.3 | 16% | 0.164 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -63.6 | -37 | 176.5 | -68.2 | 163.7 | 0 | 0 | 0 | 110.8 | Y290 E291 Y297 P298 R304 I307 | Y290-I294 WeakPolarHBondContact O-CB 3.38Å; Y290-I294 WeakPolarHBondContact O-CD1 3.24Å; Y290-I294 WeakPolarHBondContact O-CG1 3.32Å; Y290-I294 PolarHBondContact O-N 3.32Å; E291-I294 PolarHBondContact O-N 3.1Å; I294-Y297 CarbonylContact O-C 3.55Å; I294-Y297 VanDerWaalsContact O-C 3.23Å; I294-P298 WeakPolarHBondContact O-CA 3.5Å; I294-P298 WeakPolarHBondContact O-CD 3.28Å; I294-R304 HydrophobicContact CD1-CG 4.25Å; I294-R304 HydrophobicContact CG1-CG 4.25Å; I294-R304 HydrophobicContact CG2-CG 4.47Å; I294-I307 HydrophobicContact CD1-CB 4.33Å; I294-I307 HydrophobicContact CD1-CD1 4.03Å; I294-I307 HydrophobicContact CD1-CG2 3.94Å |
| 295 | A | 97.3 | Very high | 95.2 | Very high | 79 Ų | 79 | 51.8 Ų | 51.8 | 65% | 0.653 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -64.2 | -42.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | E291 S292 V293 | E291-A295 WeakPolarHBondContact O-CB 3.35Å; E291-A295 PolarHBondContact O-N 3.07Å; S292-A295 PolarHBondContact O-N 2.88Å; V293-A295 VanDerWaalsContact C-N 3.29Å; V293-A295 PolarHBondContact O-N 2.84Å |
| 296 | R | 97.5 | Very high | 95.4 | Very high | 123 Ų | 123 | 51.6 Ų | 51.6 | 46% | 0.464 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -75.7 | -36.8 | 177.6 | -169.7 | 173.2 | 178.1 | -176.8 | -5.5 | 112.9 | W251 D255 S292 V293 | W251-R296 HydrophobicContact CH2-CB 4.47Å; W251-R296 HydrophobicContact CZ3-CB 4.44Å; D255-R296 IonicContact OD1-CZ 3.86Å; D255-R296 IonicContact OD1-NE 2.88Å; D255-R296 IonicContact OD1-NH1 3.8Å; D255-R296 PolarHBondContact OD1-NH1 2.99Å; D255-R296 IonicContact OD1-NH2 3.27Å; D255-R296 PolarHBondContact OD1-NH2 3.14Å; D255-R296 IonicContact OD2-CZ 2.72Å; D255-R296 IonicContact OD2-NH1 3.91Å; D255-R296 IonicContact OD2-NH2 2.73Å; D255-R296 PolarHBondContact OD2-NH2 3.08Å; S292-R296 PolarHBondContact O-N 3.19Å; S292-R296 VanDerWaalsContact O-N 3.08Å; V293-R296 PolarHBondContact O-N 2.75Å |
| 297 | Y | 96.6 | Very high | 95.5 | Very high | 51 Ų | 51 | 51.7 Ų | 51.7 | 20% | 0.2 | 25% | 0.247 | C | C | . | . | trans | -127 | 74.4 | -178.7 | -62.6 | -73.2 | 0 | 0 | 0 | 111.3 | W251 I254 D255 Q258 V293 I294 Q299 S300 | W251-Y297 HydrophobicContact CZ3-CE2 4.24Å; I254-Y297 HydrophobicContact CG2-CD2 4.06Å; I254-Y297 HydrophobicContact CG2-CE2 3.86Å; D255-Y297 PolarHBondContact OD1-OH 3.03Å; Q258-Y297 HydrophobicContact CB-CD2 4.37Å; Q258-Y297 HydrophobicContact CB-CG 4.23Å; Q258-Y297 HydrophobicContact CG-CD1 4.47Å; Q258-Y297 HydrophobicContact CG-CG 4.36Å; V293-Y297 HydrophobicContact CG1-CD2 4.45Å; V293-Y297 WeakPolarHBondContact O-CA 3.3Å; V293-Y297 PolarHBondContact O-N 3.44Å; I294-Y297 CarbonylContact O-C 3.55Å; I294-Y297 VanDerWaalsContact O-C 3.23Å; Y297-Q299 PolarHBondContact O-N 3.09Å; Y297-S300 WeakPolarHBondContact O-CB 3.43Å; Y297-S300 PolarHBondContact O-N 3.11Å | ||
| 298 | P | 93.6 | Very high | 95.5 | Very high | 65 Ų | 65 | 50.8 Ų | 50.8 | 42% | 0.422 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -30.8 | -177.4 | -27.2 | 35.2 | 0 | 0 | 0 | 112.9 | I294 S300 R304 | I294-P298 WeakPolarHBondContact O-CA 3.5Å; I294-P298 WeakPolarHBondContact O-CD 3.28Å; P298-S300 VanDerWaalsContact C-N 3.26Å; P298-S300 PolarHBondContact O-N 2.95Å; P298-R304 PolarHBondContact O-NE 3.01Å; P298-R304 PolarHBondContact O-NH2 3.32Å |
| 299 | Q | 89.9 | Confident | 95.5 | Very high | 150 Ų | 150 | 48.7 Ų | 48.7 | 70% | 0.701 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.9 | -5 | -179.2 | -58.5 | -58.7 | -21.5 | 0 | 0 | 114.5 | Y297 R301 | Y297-Q299 PolarHBondContact O-N 3.09Å; Q299-R301 PolarHBondContact O-N 3.2Å |
| 300 | S | 94.5 | Very high | 95.3 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 25% | 0.247 | C | C | . | . | trans | -62.9 | 110.9 | -178.7 | 177.9 | 0 | 0 | 0 | 0 | 110.6 | Q258 E259 Y297 P298 S303 R304 | Q258-S300 PolarHBondContact O-OG 3.36Å; E259-S300 WeakPolarHBondContact OE1-CA 3.46Å; Y297-S300 WeakPolarHBondContact O-CB 3.43Å; Y297-S300 PolarHBondContact O-N 3.11Å; P298-S300 VanDerWaalsContact C-N 3.26Å; P298-S300 PolarHBondContact O-N 2.95Å; S300-S303 WeakPolarHBondContact OG-CB 3.47Å; S300-S303 PolarHBondContact OG-N 3.18Å; S300-S303 PolarHBondContact OG-OG 3.4Å; S300-R304 WeakPolarHBondContact O-CG 3.46Å; S300-R304 PolarHBondContact O-N 2.79Å | ||
| 301 | R | 92.5 | Very high | 95.2 | Very high | 147 Ų | 147 | 51.6 Ų | 51.6 | 56% | 0.555 | 25% | 0.25 | S | C | * | . | H | α-helix | trans | -74 | -42.6 | -179.1 | -63.5 | -178.4 | -171.8 | 162.5 | 7.9 | 109.9 | E259 Q299 S303 R304 R305 | E259-R301 PolarHBondContact OE1-N 3.39Å; Q299-R301 PolarHBondContact O-N 3.2Å; R301-S303 PolarHBondContact O-N 2.81Å; R301-R304 PolarHBondContact O-N 3.48Å; R301-R305 WeakPolarHBondContact O-CB 3.48Å; R301-R305 PolarHBondContact O-N 2.91Å |
| 302 | L | 95.3 | Very high | 94.9 | Very high | 37 Ų | 37 | 52.4 Ų | 52.4 | 19% | 0.194 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -58.7 | -48.1 | 178.3 | -177.6 | 63.4 | 0 | 0 | 0 | 111.9 | E259 R261 L264 R304 R305 L306 | E259-L302 WeakPolarHBondContact O-CD2 3.4Å; E259-L302 WeakPolarHBondContact OE2-CB 3.23Å; E259-L302 PolarHBondContact OE2-N 2.74Å; R261-L302 HydrophobicContact CB-CD2 4.11Å; L264-L302 HydrophobicContact CD1-CD2 3.76Å; L264-L302 HydrophobicContact CD1-CG 3.87Å; L302-R304 PolarHBondContact O-N 2.78Å; L302-R305 PolarHBondContact O-N 3.42Å; L302-R305 VanDerWaalsContact O-N 3.13Å; L302-L306 HydrophobicContact CD1-CD1 3.79Å; L302-L306 HydrophobicContact CD1-CD2 4.29Å; L302-L306 HydrophobicContact CD1-CG 3.81Å; L302-L306 HydrophobicContact CD2-CD1 4.36Å; L302-L306 HydrophobicContact CG-CD1 3.77Å; L302-L306 HydrophobicContact CG-CG 4.14Å; L302-L306 WeakPolarHBondContact O-CB 3.42Å; L302-L306 WeakPolarHBondContact O-CG 3.43Å; L302-L306 PolarHBondContact O-N 3.43Å |
| 303 | S | 95.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -63.7 | -43.3 | -178.4 | -54.9 | 0 | 0 | 0 | 0 | 111.9 | V293 S300 R301 R305 L306 I307 | V293-S303 WeakPolarHBondContact CG1-OG 3.37Å; S300-S303 WeakPolarHBondContact OG-CB 3.47Å; S300-S303 PolarHBondContact OG-N 3.18Å; S300-S303 PolarHBondContact OG-OG 3.4Å; R301-S303 PolarHBondContact O-N 2.81Å; S303-R305 VanDerWaalsContact C-N 3.26Å; S303-R305 PolarHBondContact O-N 2.74Å; S303-L306 PolarHBondContact O-N 2.82Å; S303-I307 WeakPolarHBondContact O-CG2 3.44Å; S303-I307 PolarHBondContact O-N 3.37Å; S303-I307 VanDerWaalsContact O-N 3.1Å |
| 304 | R | 95 | Very high | 94.5 | Very high | 96 Ų | 96 | 57.8 Ų | 57.8 | 36% | 0.362 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -62.7 | -31.5 | 174.8 | -73.2 | 177.7 | 173.6 | 178.4 | -2.6 | 112.9 | I294 P298 S300 R301 L302 I307 Y323 | I294-R304 HydrophobicContact CD1-CG 4.25Å; I294-R304 HydrophobicContact CG1-CG 4.25Å; I294-R304 HydrophobicContact CG2-CG 4.47Å; P298-R304 PolarHBondContact O-NE 3.01Å; P298-R304 PolarHBondContact O-NH2 3.32Å; S300-R304 WeakPolarHBondContact O-CG 3.46Å; S300-R304 PolarHBondContact O-N 2.79Å; R301-R304 PolarHBondContact O-N 3.48Å; L302-R304 PolarHBondContact O-N 2.78Å; R304-I307 WeakPolarHBondContact O-CG2 3.43Å; R304-Y323 HydrophobicContact CB-CD2 4.12Å; R304-Y323 HydrophobicContact CB-CE2 4.27Å |
| 305 | R | 95.5 | Very high | 94.4 | Very high | 33 Ų | 33 | 59 Ų | 59 | 13% | 0.125 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -76.9 | -46.8 | 175.1 | 176.1 | 54.7 | -168.9 | 83.2 | 0.7 | 112 | R301 L302 S303 I307 L308 N309 Y323 Q338 L342 | R301-R305 WeakPolarHBondContact O-CB 3.48Å; R301-R305 PolarHBondContact O-N 2.91Å; L302-R305 PolarHBondContact O-N 3.42Å; L302-R305 VanDerWaalsContact O-N 3.13Å; S303-R305 VanDerWaalsContact C-N 3.26Å; S303-R305 PolarHBondContact O-N 2.74Å; R305-I307 PolarHBondContact O-N 3.27Å; R305-L308 WeakPolarHBondContact O-CB 3.46Å; R305-L308 PolarHBondContact O-N 3.47Å; R305-N309 PolarHBondContact NH1-OD1 2.93Å; R305-Y323 HydrophobicContact CB-CE2 3.87Å; R305-Q338 PolarHBondContact NE-O 3.05Å; R305-Q338 PolarHBondContact NH2-O 3.17Å; R305-L342 VanDerWaalsContact CZ-CD1 3.48Å; R305-L342 VanDerWaalsContact NH1-CD1 3.31Å |
| 306 | L | 95.2 | Very high | 94.3 | Very high | 10 Ų | 10 | 55.4 Ų | 55.4 | 5% | 0.052 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -69.1 | -32.8 | -173.7 | -70.6 | -179.4 | 0 | 0 | 0 | 112.8 | R261 L264 Y290 L302 S303 L308 N309 Y310 | R261-L306 HydrophobicContact CG-CD1 4.4Å; L264-L306 HydrophobicContact CD1-CD1 3.82Å; Y290-L306 HydrophobicContact CD2-CB 4.09Å; Y290-L306 HydrophobicContact CE2-CB 3.66Å; Y290-L306 HydrophobicContact CE2-CD1 4.47Å; L302-L306 HydrophobicContact CD1-CD1 3.79Å; L302-L306 HydrophobicContact CD1-CD2 4.29Å; L302-L306 HydrophobicContact CD1-CG 3.81Å; L302-L306 HydrophobicContact CD2-CD1 4.36Å; L302-L306 HydrophobicContact CG-CD1 3.77Å; L302-L306 HydrophobicContact CG-CG 4.14Å; L302-L306 WeakPolarHBondContact O-CB 3.42Å; L302-L306 WeakPolarHBondContact O-CG 3.43Å; L302-L306 PolarHBondContact O-N 3.43Å; S303-L306 PolarHBondContact O-N 2.82Å; L306-L308 PolarHBondContact O-N 2.91Å; L306-N309 WeakPolarHBondContact O-CB 3.28Å; L306-N309 PolarHBondContact O-N 3.42Å; L306-N309 VanDerWaalsContact O-N 3.07Å; L306-Y310 WeakPolarHBondContact O-CD2 3.37Å |
| 307 | I | 95.6 | Very high | 94.2 | Very high | 4 Ų | 4 | 52 Ų | 52 | 2% | 0.021 | 26% | 0.261 | C | S | . | . | G | 310 helix | trans | -61.3 | -27.4 | 177.7 | -166.9 | 159.9 | 0 | 0 | 0 | 113.2 | K287 Y290 E291 I294 S303 R304 R305 N309 Y310 C311 | K287-I307 HydrophobicContact CG-CD1 4.22Å; K287-I307 HydrophobicContact CG-CG1 4.19Å; Y290-I307 HydrophobicContact CD2-CB 4.24Å; E291-I307 HydrophobicContact CG-CD1 3.56Å; I294-I307 HydrophobicContact CD1-CB 4.33Å; I294-I307 HydrophobicContact CD1-CD1 4.03Å; I294-I307 HydrophobicContact CD1-CG2 3.94Å; S303-I307 WeakPolarHBondContact O-CG2 3.44Å; S303-I307 PolarHBondContact O-N 3.37Å; S303-I307 VanDerWaalsContact O-N 3.1Å; R304-I307 WeakPolarHBondContact O-CG2 3.43Å; R305-I307 PolarHBondContact O-N 3.27Å; I307-N309 PolarHBondContact O-N 3.08Å; I307-Y310 PolarHBondContact O-N 3.28Å; I307-C311 PolarHBondContact O-SG 3.43Å |
| 308 | L | 96.1 | Very high | 94.2 | Very high | 2 Ų | 2 | 55.8 Ų | 55.8 | 1% | 0.01 | 28% | 0.28 | C | S | . | . | G | 310 helix | trans | -61.5 | -25.7 | 175.9 | -61.9 | 177.3 | 0 | 0 | 0 | 112.6 | R305 L306 Y310 F316 R319 L320 Y323 L339 L342 | R305-L308 WeakPolarHBondContact O-CB 3.46Å; R305-L308 PolarHBondContact O-N 3.47Å; L306-L308 PolarHBondContact O-N 2.91Å; L308-Y310 PolarHBondContact O-N 2.96Å; L308-F316 HydrophobicContact CB-CE2 4.26Å; L308-R319 HydrophobicContact CD2-CB 3.61Å; L308-L320 HydrophobicContact CD1-CD1 4.22Å; L308-L320 HydrophobicContact CD2-CB 4.47Å; L308-Y323 HydrophobicContact CD1-CD1 4.27Å; L308-Y323 HydrophobicContact CD1-CD2 4.48Å; L308-Y323 HydrophobicContact CD1-CG 4.11Å; L308-L339 HydrophobicContact CD1-CD2 4.13Å; L308-L342 HydrophobicContact CB-CD1 3.76Å; L308-L342 HydrophobicContact CD1-CD1 4.15Å |
| 309 | N | 93.9 | Very high | 94.2 | Very high | 72 Ų | 72 | 55.9 Ų | 55.9 | 39% | 0.385 | 27% | 0.272 | S | S | . | . | G | 310 helix | trans | -67.4 | -12.2 | 176 | -60.6 | -9.6 | 0 | 0 | 0 | 112.9 | R305 L306 I307 L342 | R305-N309 PolarHBondContact NH1-OD1 2.93Å; L306-N309 WeakPolarHBondContact O-CB 3.28Å; L306-N309 PolarHBondContact O-N 3.42Å; L306-N309 VanDerWaalsContact O-N 3.07Å; I307-N309 PolarHBondContact O-N 3.08Å; N309-L342 HydrophobicContact CB-CD2 4.46Å; N309-L342 WeakPolarHBondContact OD1-CD2 3.08Å |
| 310 | Y | 93 | Very high | 94.6 | Very high | 59 Ų | 59 | 48.9 Ų | 48.9 | 23% | 0.231 | 24% | 0.24 | C | C | . | . | G | 310 helix | trans | -122.6 | 12.5 | -173.9 | -55.9 | -82.4 | 0 | 0 | 0 | 113 | T283 T286 Y290 L306 I307 L308 | T283-Y310 HydrophobicContact CG2-CD1 4.03Å; T286-Y310 HydrophobicContact CG2-CD1 4.29Å; T286-Y310 HydrophobicContact CG2-CD2 4.09Å; T286-Y310 HydrophobicContact CG2-CE1 3.82Å; T286-Y310 HydrophobicContact CG2-CE2 3.62Å; T286-Y310 HydrophobicContact CG2-CG 4.4Å; T286-Y310 VanDerWaalsContact CG2-CZ 3.44Å; Y290-Y310 HydrophobicContact CD2-CD2 4.34Å; Y290-Y310 HydrophobicContact CD2-CE2 4.32Å; Y290-Y310 HydrophobicContact CE2-CD2 4.14Å; Y290-Y310 AromaticContact CE2-CE2 3.67Å; Y290-Y310 HydrophobicContact CE2-CE2 3.67Å; L306-Y310 WeakPolarHBondContact O-CD2 3.37Å; I307-Y310 PolarHBondContact O-N 3.28Å; L308-Y310 PolarHBondContact O-N 2.96Å |
| 311 | C | 93.2 | Very high | 94.7 | Very high | 10 Ų | 10 | 50.1 Ų | 50.1 | 7% | 0.068 | 25% | 0.246 | C | C | . | . | trans | -110.6 | 148.9 | 176.5 | -58.9 | 0 | 0 | 0 | 0 | 109.5 | I307 E315 F316 R319 | I307-C311 PolarHBondContact O-SG 3.43Å; C311-E315 HydrophobicContact CB-CG 4.35Å; C311-F316 HydrophobicContact CB-CB 3.95Å; C311-F316 HydrophobicContact CB-CD2 4.27Å; C311-R319 VanDerWaalsContact SG-CD 3.51Å | ||
| 312 | S | 91.3 | Very high | 94.8 | Very high | 84 Ų | 84 | 46.1 Ų | 46.1 | 59% | 0.587 | 25% | 0.245 | S | C | * | . | trans | -139.5 | 166.4 | 174.5 | 55.3 | 0 | 0 | 0 | 0 | 110.9 | E315 F316 | S312-E315 PolarHBondContact O-N 2.97Å; S312-F316 PolarHBondContact O-N 3.32Å | ||
| 313 | G | 92.4 | Very high | 94.8 | Very high | 32 Ų | 32 | 45 Ų | 45 | 33% | 0.33 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | 53.4 | -139.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | E315 F316 L317 E347 | G313-E315 PolarHBondContact O-N 2.92Å; G313-F316 WeakPolarHBondContact O-CB 3.38Å; G313-F316 PolarHBondContact O-N 2.91Å; G313-L317 PolarHBondContact O-N 3.44Å; G313-L317 VanDerWaalsContact O-N 3.16Å; G313-E347 PolarHBondContact N-OE1 2.92Å |
| 314 | D | 93.9 | Very high | 94.8 | Very high | 128 Ų | 128 | 45 Ų | 45 | 68% | 0.684 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -60.1 | -32.2 | -175.6 | -70.9 | -25.3 | 0 | 0 | 0 | 113.4 | L317 Q318 | D314-L317 PolarHBondContact O-N 3.42Å; D314-Q318 VanDerWaalsContact O-CG 3.3Å; D314-Q318 WeakPolarHBondContact O-CG 3.35Å; D314-Q318 PolarHBondContact O-N 3.05Å |
| 315 | E | 93.8 | Very high | 94.8 | Very high | 58 Ų | 58 | 41.3 Ų | 41.3 | 27% | 0.271 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -69 | -43.4 | 178.4 | -179.5 | 177 | -172.3 | 0 | 0 | 111.7 | K287 C311 S312 G313 L317 Q318 R319 | K287-E315 VanDerWaalsContact CE-CD 3.43Å; K287-E315 WeakPolarHBondContact CE-OE1 3.42Å; K287-E315 WeakPolarHBondContact CE-OE2 3.24Å; K287-E315 IonicContact NZ-OE1 3.73Å; K287-E315 PolarHBondContact NZ-OE1 3.36Å; K287-E315 IonicContact NZ-OE2 3.46Å; K287-E315 PolarHBondContact NZ-OE2 2.91Å; C311-E315 HydrophobicContact CB-CG 4.35Å; S312-E315 PolarHBondContact O-N 2.97Å; G313-E315 PolarHBondContact O-N 2.92Å; E315-L317 VanDerWaalsContact C-N 3.26Å; E315-L317 PolarHBondContact O-N 2.93Å; E315-Q318 PolarHBondContact O-N 2.88Å; E315-R319 HydrophobicContact CG-CG 4.45Å; E315-R319 PolarHBondContact O-N 3.14Å; E315-R319 IonicContact OE1-CZ 3.47Å; E315-R319 IonicContact OE1-NE 2.84Å; E315-R319 PolarHBondContact OE1-NE 2.97Å; E315-R319 IonicContact OE1-NH2 3.15Å; E315-R319 PolarHBondContact OE1-NH2 3.43Å |
| 316 | F | 95.7 | Very high | 94.8 | Very high | 3 Ų | 3 | 42.8 Ų | 42.8 | 1% | 0.013 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -56.5 | -47.2 | 173.8 | 175.6 | -98.3 | 0 | 0 | 0 | 110.1 | L308 C311 S312 G313 Q318 R319 L320 L342 N348 A351 | L308-F316 HydrophobicContact CB-CE2 4.26Å; C311-F316 HydrophobicContact CB-CB 3.95Å; C311-F316 HydrophobicContact CB-CD2 4.27Å; S312-F316 PolarHBondContact O-N 3.32Å; G313-F316 WeakPolarHBondContact O-CB 3.38Å; G313-F316 PolarHBondContact O-N 2.91Å; F316-Q318 PolarHBondContact O-N 3.31Å; F316-R319 PolarHBondContact O-N 2.94Å; F316-L320 HydrophobicContact CD1-CD2 4.3Å; F316-L320 HydrophobicContact CE1-CB 4.48Å; F316-L320 HydrophobicContact CE1-CD2 3.5Å; F316-L320 VanDerWaalsContact CE1-CD2 3.5Å; F316-L320 HydrophobicContact CZ-CD2 3.78Å; F316-L320 WeakPolarHBondContact O-CB 3.34Å; F316-L320 PolarHBondContact O-N 3.47Å; F316-L342 HydrophobicContact CE2-CD1 4.24Å; F316-N348 HydrophobicContact CE1-CB 4.02Å; F316-N348 HydrophobicContact CZ-CB 3.84Å; F316-A351 HydrophobicContact CD1-CB 3.87Å; F316-A351 HydrophobicContact CE1-CB 3.91Å |
| 317 | L | 95.9 | Very high | 94.8 | Very high | 50 Ų | 50 | 43.7 Ų | 43.7 | 26% | 0.262 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -58.8 | -46.7 | 178.3 | -170.6 | 153.4 | 0 | 0 | 0 | 111.9 | G313 D314 E315 L320 D321 L355 | G313-L317 PolarHBondContact O-N 3.44Å; G313-L317 VanDerWaalsContact O-N 3.16Å; D314-L317 PolarHBondContact O-N 3.42Å; E315-L317 VanDerWaalsContact C-N 3.26Å; E315-L317 PolarHBondContact O-N 2.93Å; L317-L320 PolarHBondContact O-N 3.2Å; L317-D321 VanDerWaalsContact O-CB 3.29Å; L317-D321 WeakPolarHBondContact O-CB 3.27Å; L317-D321 PolarHBondContact O-N 3.28Å; L317-L355 HydrophobicContact CD2-CD2 3.86Å; L317-L355 HydrophobicContact CG-CD1 4.4Å; L317-L355 HydrophobicContact CG-CD2 4.08Å; L317-L355 HydrophobicContact CG-CG 4.2Å |
| 318 | Q | 95.4 | Very high | 94.9 | Very high | 132 Ų | 132 | 43.6 Ų | 43.6 | 62% | 0.617 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -64.1 | -44.9 | 179.2 | -73.4 | 175 | 24.7 | 0 | 0 | 112.8 | D314 E315 F316 D321 A322 | D314-Q318 VanDerWaalsContact O-CG 3.3Å; D314-Q318 WeakPolarHBondContact O-CG 3.35Å; D314-Q318 PolarHBondContact O-N 3.05Å; E315-Q318 PolarHBondContact O-N 2.88Å; F316-Q318 PolarHBondContact O-N 3.31Å; Q318-D321 PolarHBondContact O-N 3.01Å; Q318-A322 WeakPolarHBondContact O-CB 3.47Å; Q318-A322 PolarHBondContact O-N 2.75Å |
| 319 | R | 95.5 | Very high | 94.8 | Very high | 67 Ų | 67 | 47.9 Ų | 47.9 | 25% | 0.253 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -70.9 | -36.3 | 179.1 | -69.1 | -173.1 | -169.6 | -107.2 | 0 | 112 | E291 L308 C311 E315 F316 A322 Y323 | E291-R319 IonicContact OE1-CZ 3.62Å; E291-R319 IonicContact OE1-NH1 2.99Å; E291-R319 IonicContact OE1-NH2 3.39Å; E291-R319 PolarHBondContact OE1-NH2 3.26Å; L308-R319 HydrophobicContact CD2-CB 3.61Å; C311-R319 VanDerWaalsContact SG-CD 3.51Å; E315-R319 HydrophobicContact CG-CG 4.45Å; E315-R319 PolarHBondContact O-N 3.14Å; E315-R319 IonicContact OE1-CZ 3.47Å; E315-R319 IonicContact OE1-NE 2.84Å; E315-R319 PolarHBondContact OE1-NE 2.97Å; E315-R319 IonicContact OE1-NH2 3.15Å; E315-R319 PolarHBondContact OE1-NH2 3.43Å; F316-R319 PolarHBondContact O-N 2.94Å; R319-A322 PolarHBondContact O-N 3.17Å; R319-Y323 VanDerWaalsContact O-CB 3.25Å; R319-Y323 WeakPolarHBondContact O-CB 3.15Å; R319-Y323 PolarHBondContact O-N 3.47Å |
| 320 | L | 96.9 | Very high | 94.9 | Very high | 2 Ų | 2 | 51.2 Ų | 51.2 | 1% | 0.01 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -66.1 | -41.3 | 174.6 | -178.8 | 61 | 0 | 0 | 0 | 110.9 | L308 F316 L317 Y323 L324 L339 F352 L355 | L308-L320 HydrophobicContact CD1-CD1 4.22Å; L308-L320 HydrophobicContact CD2-CB 4.47Å; F316-L320 HydrophobicContact CD1-CD2 4.3Å; F316-L320 HydrophobicContact CE1-CB 4.48Å; F316-L320 HydrophobicContact CE1-CD2 3.5Å; F316-L320 VanDerWaalsContact CE1-CD2 3.5Å; F316-L320 HydrophobicContact CZ-CD2 3.78Å; F316-L320 WeakPolarHBondContact O-CB 3.34Å; F316-L320 PolarHBondContact O-N 3.47Å; L317-L320 PolarHBondContact O-N 3.2Å; L320-Y323 PolarHBondContact O-N 2.98Å; L320-L324 HydrophobicContact CD1-CD1 3.99Å; L320-L324 HydrophobicContact CD1-CD2 4.4Å; L320-L324 HydrophobicContact CD1-CG 3.93Å; L320-L324 HydrophobicContact CG-CD1 3.84Å; L320-L324 HydrophobicContact CG-CG 4.23Å; L320-L324 WeakPolarHBondContact O-CB 3.31Å; L320-L324 VanDerWaalsContact O-CG 3.25Å; L320-L324 WeakPolarHBondContact O-CG 3.31Å; L320-L324 PolarHBondContact O-N 3.1Å; L320-L339 HydrophobicContact CD1-CD1 4.18Å; L320-L339 HydrophobicContact CD1-CD2 4.14Å; L320-F352 HydrophobicContact CD2-CB 4.22Å; L320-F352 HydrophobicContact CD2-CD2 4.16Å; L320-L355 HydrophobicContact CB-CD1 4.01Å; L320-L355 HydrophobicContact CD2-CD1 3.82Å; L320-L355 HydrophobicContact CG-CD1 3.74Å |
| 321 | D | 96.6 | Very high | 95 | Very high | 27 Ų | 27 | 49.1 Ų | 49.1 | 14% | 0.144 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -58.2 | -50.3 | 173.6 | 180 | 84.3 | 0 | 0 | 0 | 111.3 | L317 Q318 Y323 L324 K325 L355 Y359 | L317-D321 VanDerWaalsContact O-CB 3.29Å; L317-D321 WeakPolarHBondContact O-CB 3.27Å; L317-D321 PolarHBondContact O-N 3.28Å; Q318-D321 PolarHBondContact O-N 3.01Å; D321-Y323 VanDerWaalsContact C-N 3.26Å; D321-Y323 PolarHBondContact O-N 3.24Å; D321-L324 PolarHBondContact O-N 3.28Å; D321-K325 VanDerWaalsContact CG-NZ 3.29Å; D321-K325 PolarHBondContact O-N 3.26Å; D321-K325 WeakPolarHBondContact OD1-CE 3.31Å; D321-K325 IonicContact OD1-NZ 2.95Å; D321-K325 PolarHBondContact OD1-NZ 3.4Å; D321-K325 VanDerWaalsContact OD1-NZ 3.1Å; D321-K325 WeakPolarHBondContact OD2-CE 3.15Å; D321-K325 IonicContact OD2-NZ 2.72Å; D321-K325 PolarHBondContact OD2-NZ 2.99Å; D321-L355 HydrophobicContact CB-CD1 4.18Å; D321-L355 HydrophobicContact CB-CD2 3.95Å; D321-Y359 WeakPolarHBondContact CA-OH 3.42Å; D321-Y359 WeakPolarHBondContact OD1-CE1 3.46Å; D321-Y359 PolarHBondContact OD1-OH 3.38Å |
| 322 | A | 94.3 | Very high | 95 | Very high | 63 Ų | 63 | 50.2 Ų | 50.2 | 52% | 0.521 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -63.7 | -28.7 | 176 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q318 R319 P326 | Q318-A322 WeakPolarHBondContact O-CB 3.47Å; Q318-A322 PolarHBondContact O-N 2.75Å; R319-A322 PolarHBondContact O-N 3.17Å; A322-P326 WeakPolarHBondContact O-CD 3.3Å; A322-P326 WeakPolarHBondContact O-CG 3.44Å |
| 323 | Y | 95.6 | Very high | 95 | Very high | 13 Ų | 13 | 47.9 Ų | 47.9 | 5% | 0.051 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -76.7 | -42.9 | 175.9 | -174 | -94.8 | 0 | 0 | 0 | 112.1 | R304 R305 L308 R319 L320 D321 F327 L335 Q338 L339 | R304-Y323 HydrophobicContact CB-CD2 4.12Å; R304-Y323 HydrophobicContact CB-CE2 4.27Å; R305-Y323 HydrophobicContact CB-CE2 3.87Å; L308-Y323 HydrophobicContact CD1-CD1 4.27Å; L308-Y323 HydrophobicContact CD1-CD2 4.48Å; L308-Y323 HydrophobicContact CD1-CG 4.11Å; R319-Y323 VanDerWaalsContact O-CB 3.25Å; R319-Y323 WeakPolarHBondContact O-CB 3.15Å; R319-Y323 PolarHBondContact O-N 3.47Å; L320-Y323 PolarHBondContact O-N 2.98Å; D321-Y323 VanDerWaalsContact C-N 3.26Å; D321-Y323 PolarHBondContact O-N 3.24Å; Y323-F327 HydrophobicContact CD2-CE2 4.42Å; Y323-F327 HydrophobicContact CE1-CE2 4.38Å; Y323-F327 AromaticContact CE2-CE2 4Å; Y323-F327 HydrophobicContact CE2-CE2 4Å; Y323-F327 HydrophobicContact CE2-CZ 4.37Å; Y323-F327 AromaticContact CZ-CE2 3.96Å; Y323-F327 WeakPolarHBondContact O-CD2 3.39Å; Y323-L335 HydrophobicContact CD1-CD1 4.32Å; Y323-L335 HydrophobicContact CE1-CD1 3.8Å; Y323-Q338 PolarHBondContact OH-OE1 3.34Å; Y323-L339 HydrophobicContact CD1-CD2 4.24Å; Y323-L339 HydrophobicContact CE1-CD2 4.04Å |
| 324 | L | 96.9 | Very high | 95 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -70.9 | -48.5 | -174.4 | -73.3 | 172.9 | 0 | 0 | 0 | 112.6 | L320 D321 F327 I328 L335 L339 F352 L355 Y359 L389 | L320-L324 HydrophobicContact CD1-CD1 3.99Å; L320-L324 HydrophobicContact CD1-CD2 4.4Å; L320-L324 HydrophobicContact CD1-CG 3.93Å; L320-L324 HydrophobicContact CG-CD1 3.84Å; L320-L324 HydrophobicContact CG-CG 4.23Å; L320-L324 WeakPolarHBondContact O-CB 3.31Å; L320-L324 VanDerWaalsContact O-CG 3.25Å; L320-L324 WeakPolarHBondContact O-CG 3.31Å; L320-L324 PolarHBondContact O-N 3.1Å; D321-L324 PolarHBondContact O-N 3.28Å; L324-F327 PolarHBondContact O-N 3.01Å; L324-I328 HydrophobicContact CB-CD1 4.12Å; L324-I328 WeakPolarHBondContact O-CG1 3.42Å; L324-I328 PolarHBondContact O-N 3.17Å; L324-L335 HydrophobicContact CD2-CD1 4.17Å; L324-L335 HydrophobicContact CD2-CD2 3.84Å; L324-L335 HydrophobicContact CD2-CG 4.12Å; L324-L339 HydrophobicContact CD2-CD1 3.53Å; L324-F352 HydrophobicContact CD1-CD2 4.09Å; L324-F352 HydrophobicContact CD1-CE2 4Å; L324-F352 HydrophobicContact CD2-CE2 4.08Å; L324-L355 HydrophobicContact CD1-CD1 4.18Å; L324-Y359 HydrophobicContact CB-CE2 4.18Å; L324-Y359 HydrophobicContact CD1-CE2 3.96Å; L324-L389 HydrophobicContact CD2-CD2 4.25Å |
| 325 | K | 95.1 | Very high | 95.1 | Very high | 19 Ų | 19 | 43.5 Ų | 43.5 | 8% | 0.083 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -54.1 | -49.2 | -171 | -72.9 | 172.3 | 179 | 164.4 | 0 | 114 | D321 F327 I328 R329 Y359 L369 D370 | D321-K325 VanDerWaalsContact CG-NZ 3.29Å; D321-K325 PolarHBondContact O-N 3.26Å; D321-K325 WeakPolarHBondContact OD1-CE 3.31Å; D321-K325 IonicContact OD1-NZ 2.95Å; D321-K325 PolarHBondContact OD1-NZ 3.4Å; D321-K325 VanDerWaalsContact OD1-NZ 3.1Å; D321-K325 WeakPolarHBondContact OD2-CE 3.15Å; D321-K325 IonicContact OD2-NZ 2.72Å; D321-K325 PolarHBondContact OD2-NZ 2.99Å; K325-F327 VanDerWaalsContact C-N 3.26Å; K325-F327 PolarHBondContact O-N 3.15Å; K325-I328 PolarHBondContact O-N 2.85Å; K325-R329 WeakPolarHBondContact O-CB 3.38Å; K325-R329 VanDerWaalsContact O-CG 3.28Å; K325-R329 WeakPolarHBondContact O-CG 3.47Å; K325-R329 PolarHBondContact O-N 3.29Å; K325-Y359 HydrophobicContact CG-CE1 4.34Å; K325-L369 HydrophobicContact CB-CD1 4.36Å; K325-L369 HydrophobicContact CG-CB 4.4Å; K325-L369 HydrophobicContact CG-CD1 4.11Å; K325-D370 WeakPolarHBondContact CE-OD1 3.4Å; K325-D370 IonicContact NZ-OD1 3.84Å; K325-D370 PolarHBondContact NZ-OD1 3.44Å |
| 326 | P | 94.1 | Very high | 95.3 | Very high | 64 Ų | 64 | 41.3 Ų | 41.3 | 42% | 0.416 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -61.9 | -32.7 | 179.2 | -22.8 | 34.8 | 0 | 0 | 0 | 113.4 | A322 K330 | A322-P326 WeakPolarHBondContact O-CD 3.3Å; A322-P326 WeakPolarHBondContact O-CG 3.44Å; P326-K330 WeakPolarHBondContact O-CB 3.38Å; P326-K330 PolarHBondContact O-N 3.45Å; P326-K330 VanDerWaalsContact O-N 3.09Å |
| 327 | F | 95.8 | Very high | 95.1 | Very high | 28 Ų | 28 | 47.2 Ų | 47.2 | 12% | 0.123 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -78.8 | -35.9 | -179.8 | -77.3 | -102 | 0 | 0 | 0 | 112.4 | Y323 L324 K325 K330 G331 V332 L335 | Y323-F327 HydrophobicContact CD2-CE2 4.42Å; Y323-F327 HydrophobicContact CE1-CE2 4.38Å; Y323-F327 AromaticContact CE2-CE2 4Å; Y323-F327 HydrophobicContact CE2-CE2 4Å; Y323-F327 HydrophobicContact CE2-CZ 4.37Å; Y323-F327 AromaticContact CZ-CE2 3.96Å; Y323-F327 WeakPolarHBondContact O-CD2 3.39Å; L324-F327 PolarHBondContact O-N 3.01Å; K325-F327 VanDerWaalsContact C-N 3.26Å; K325-F327 PolarHBondContact O-N 3.15Å; F327-K330 PolarHBondContact O-N 3.1Å; F327-G331 PolarHBondContact O-N 2.92Å; F327-V332 HydrophobicContact CB-CB 4.33Å; F327-V332 HydrophobicContact CB-CG2 4.4Å; F327-V332 HydrophobicContact CD1-CB 3.79Å; F327-V332 HydrophobicContact CD1-CG1 3.82Å; F327-V332 HydrophobicContact CD1-CG2 3.76Å; F327-V332 HydrophobicContact CE1-CG1 4.36Å; F327-V332 HydrophobicContact CG-CG2 4.44Å; F327-V332 PolarHBondContact O-N 2.89Å; F327-V332 VanDerWaalsContact O-N 3.11Å; F327-L335 HydrophobicContact CB-CD1 3.71Å; F327-L335 HydrophobicContact CB-CD2 3.71Å; F327-L335 HydrophobicContact CB-CG 4.2Å; F327-L335 HydrophobicContact CD1-CD1 4.13Å; F327-L335 HydrophobicContact CD2-CD1 4.48Å; F327-L335 HydrophobicContact CG-CD1 3.89Å |
| 328 | I | 96.8 | Very high | 95 | Very high | 3 Ų | 3 | 48.3 Ų | 48.3 | 2% | 0.015 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -64.9 | -49.4 | 172.9 | -62.5 | 168.5 | 0 | 0 | 0 | 109.6 | L324 K325 K330 G331 L335 Y359 L369 T382 L386 L389 | L324-I328 HydrophobicContact CB-CD1 4.12Å; L324-I328 WeakPolarHBondContact O-CG1 3.42Å; L324-I328 PolarHBondContact O-N 3.17Å; K325-I328 PolarHBondContact O-N 2.85Å; I328-K330 VanDerWaalsContact C-N 3.26Å; I328-K330 PolarHBondContact O-N 3.34Å; I328-G331 PolarHBondContact O-N 2.9Å; I328-L335 HydrophobicContact CG1-CD2 3.92Å; I328-Y359 HydrophobicContact CD1-CD2 4.07Å; I328-Y359 HydrophobicContact CD1-CE2 3.98Å; I328-L369 HydrophobicContact CB-CD1 4.14Å; I328-L369 HydrophobicContact CG2-CD1 3.99Å; I328-L369 HydrophobicContact CG2-CD2 4.41Å; I328-T382 HydrophobicContact CG2-CG2 3.89Å; I328-T382 WeakPolarHBondContact CG2-O 3.34Å; I328-L386 HydrophobicContact CD1-CD1 4.38Å; I328-L386 HydrophobicContact CG2-CB 4.07Å; I328-L389 HydrophobicContact CD1-CD2 4.01Å; I328-L389 HydrophobicContact CG1-CD2 4.2Å |
| 329 | R | 95.5 | Very high | 95 | Very high | 91 Ų | 91 | 42 Ų | 42 | 34% | 0.343 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -58.2 | -37.1 | 176.8 | -72 | 172.1 | 176.9 | 142.2 | 4.9 | 113 | K325 G331 L369 D370 E378 T382 | K325-R329 WeakPolarHBondContact O-CB 3.38Å; K325-R329 VanDerWaalsContact O-CG 3.28Å; K325-R329 WeakPolarHBondContact O-CG 3.47Å; K325-R329 PolarHBondContact O-N 3.29Å; R329-G331 VanDerWaalsContact C-N 3.35Å; R329-L369 HydrophobicContact CG-CD1 4.2Å; R329-D370 IonicContact CZ-OD2 2.75Å; R329-D370 IonicContact NH2-OD2 3.72Å; R329-D370 PolarHBondContact NH2-OD2 2.7Å; R329-E378 IonicContact CZ-OE1 3.28Å; R329-E378 IonicContact NE-OE1 3.57Å; R329-E378 PolarHBondContact NE-OE1 3.05Å; R329-E378 IonicContact NE-OE2 3.57Å; R329-E378 PolarHBondContact NE-OE2 2.97Å; R329-E378 IonicContact NH2-OE1 2.99Å; R329-E378 PolarHBondContact NH2-OE1 3.28Å; R329-T382 HydrophobicContact CG-CG2 4.05Å |
| 330 | K | 94.7 | Very high | 94.9 | Very high | 143 Ų | 143 | 40.8 Ų | 40.8 | 62% | 0.622 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -78.1 | -19.3 | 177.9 | -175.9 | 172.3 | 179.8 | 179.7 | 0 | 113.2 | P326 F327 I328 V332 | P326-K330 WeakPolarHBondContact O-CB 3.38Å; P326-K330 PolarHBondContact O-N 3.45Å; P326-K330 VanDerWaalsContact O-N 3.09Å; F327-K330 PolarHBondContact O-N 3.1Å; I328-K330 VanDerWaalsContact C-N 3.26Å; I328-K330 PolarHBondContact O-N 3.34Å; K330-V332 HydrophobicContact CB-CG2 4.07Å; K330-V332 HydrophobicContact CD-CG2 4.06Å; K330-V332 HydrophobicContact CG-CG2 3.97Å |
| 331 | G | 94.7 | Very high | 94.7 | Very high | 14 Ų | 14 | 43.3 Ų | 43.3 | 14% | 0.144 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 70.1 | 63.8 | -175 | 0 | 0 | 0 | 0 | 0 | 113.4 | F327 I328 R329 P333 | F327-G331 PolarHBondContact O-N 2.92Å; I328-G331 PolarHBondContact O-N 2.9Å; R329-G331 VanDerWaalsContact C-N 3.35Å; G331-P333 WeakPolarHBondContact O-CD 3.5Å |
| 332 | V | 94.4 | Very high | 94.6 | Very high | 34 Ų | 34 | 42.6 Ų | 42.6 | 21% | 0.206 | 24% | 0.244 | C | C | . | . | trans | -102.6 | 97.4 | -178.9 | -177.6 | 0 | 0 | 0 | 0 | 110.9 | F327 K330 L335 | F327-V332 HydrophobicContact CB-CB 4.33Å; F327-V332 HydrophobicContact CB-CG2 4.4Å; F327-V332 HydrophobicContact CD1-CB 3.79Å; F327-V332 HydrophobicContact CD1-CG1 3.82Å; F327-V332 HydrophobicContact CD1-CG2 3.76Å; F327-V332 HydrophobicContact CE1-CG1 4.36Å; F327-V332 HydrophobicContact CG-CG2 4.44Å; F327-V332 PolarHBondContact O-N 2.89Å; F327-V332 VanDerWaalsContact O-N 3.11Å; K330-V332 HydrophobicContact CB-CG2 4.07Å; K330-V332 HydrophobicContact CD-CG2 4.06Å; K330-V332 HydrophobicContact CG-CG2 3.97Å; V332-L335 VanDerWaalsContact O-CB 3.26Å; V332-L335 WeakPolarHBondContact O-CB 3.37Å; V332-L335 PolarHBondContact O-N 3.34Å; V332-L335 VanDerWaalsContact O-N 3.13Å | ||
| 333 | P | 91.6 | Very high | 94.5 | Very high | 35 Ų | 35 | 39.8 Ų | 39.8 | 23% | 0.227 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | -37.5 | -178.1 | -2.2 | -6.6 | 0 | 0 | 0 | 115.8 | G331 L335 W385 Y388 Q392 | G331-P333 WeakPolarHBondContact O-CD 3.5Å; P333-L335 PolarHBondContact O-N 3.5Å; P333-L335 VanDerWaalsContact O-N 3.09Å; P333-W385 HydrophobicContact CB-CH2 4.16Å; P333-W385 HydrophobicContact CB-CZ3 3.7Å; P333-W385 HydrophobicContact CG-CH2 3.61Å; P333-W385 HydrophobicContact CG-CZ3 3.65Å; P333-Y388 HydrophobicContact CB-CE1 3.9Å; P333-Q392 PolarHBondContact O-NE2 3.4Å |
| 334 | P | 92.5 | Very high | 94.2 | Very high | 62 Ų | 62 | 45 Ų | 45 | 40% | 0.403 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | 3.5 | 178.6 | -22.1 | 34.1 | 0 | 0 | 0 | 115.7 | F336 L337 Q338 | P334-F336 VanDerWaalsContact C-N 3.3Å; P334-F336 PolarHBondContact O-N 3.34Å; P334-L337 PolarHBondContact O-N 2.8Å; P334-Q338 WeakPolarHBondContact O-CG 3.25Å; P334-Q338 PolarHBondContact O-N 2.95Å |
| 335 | L | 95.9 | Very high | 94 | Very high | 5 Ų | 5 | 48.6 Ų | 48.6 | 3% | 0.026 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -55.1 | -44.7 | -175.9 | 177 | 59.1 | 0 | 0 | 0 | 112.2 | Y323 L324 F327 I328 V332 P333 Q338 L339 L389 | Y323-L335 HydrophobicContact CD1-CD1 4.32Å; Y323-L335 HydrophobicContact CE1-CD1 3.8Å; L324-L335 HydrophobicContact CD2-CD1 4.17Å; L324-L335 HydrophobicContact CD2-CD2 3.84Å; L324-L335 HydrophobicContact CD2-CG 4.12Å; F327-L335 HydrophobicContact CB-CD1 3.71Å; F327-L335 HydrophobicContact CB-CD2 3.71Å; F327-L335 HydrophobicContact CB-CG 4.2Å; F327-L335 HydrophobicContact CD1-CD1 4.13Å; F327-L335 HydrophobicContact CD2-CD1 4.48Å; F327-L335 HydrophobicContact CG-CD1 3.89Å; I328-L335 HydrophobicContact CG1-CD2 3.92Å; V332-L335 VanDerWaalsContact O-CB 3.26Å; V332-L335 WeakPolarHBondContact O-CB 3.37Å; V332-L335 PolarHBondContact O-N 3.34Å; V332-L335 VanDerWaalsContact O-N 3.13Å; P333-L335 PolarHBondContact O-N 3.5Å; P333-L335 VanDerWaalsContact O-N 3.09Å; L335-Q338 PolarHBondContact O-N 3.37Å; L335-L339 HydrophobicContact CD1-CD1 4.31Å; L335-L389 HydrophobicContact CD2-CD2 4.06Å |
| 336 | F | 96.5 | Very high | 93.9 | Very high | 13 Ų | 13 | 52.4 Ų | 52.4 | 6% | 0.057 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -62.8 | -47.1 | 178.8 | -173.3 | -104.7 | 0 | 0 | 0 | 112 | P334 Q338 L339 V340 L343 F352 L389 Q392 F396 | P334-F336 VanDerWaalsContact C-N 3.3Å; P334-F336 PolarHBondContact O-N 3.34Å; F336-Q338 PolarHBondContact O-N 3.05Å; F336-L339 CarbonylContact O-C 3.58Å; F336-L339 WeakPolarHBondContact O-CA 3.43Å; F336-L339 PolarHBondContact O-N 3.16Å; F336-V340 HydrophobicContact CD1-CG2 3.64Å; F336-V340 HydrophobicContact CE1-CG2 3.44Å; F336-V340 VanDerWaalsContact CE1-CG2 3.44Å; F336-V340 HydrophobicContact CG-CG2 4.45Å; F336-V340 HydrophobicContact CZ-CG2 4.08Å; F336-V340 WeakPolarHBondContact O-CG2 3.46Å; F336-V340 PolarHBondContact O-N 3.39Å; F336-L343 HydrophobicContact CD2-CD1 4.3Å; F336-L343 HydrophobicContact CE2-CD1 3.54Å; F336-L343 HydrophobicContact CZ-CD1 4Å; F336-F352 HydrophobicContact CD2-CE1 4.31Å; F336-F352 HydrophobicContact CD2-CZ 4.16Å; F336-F352 HydrophobicContact CE2-CE1 4.03Å; F336-F352 HydrophobicContact CE2-CZ 4.33Å; F336-L389 HydrophobicContact CB-CD1 3.78Å; F336-L389 HydrophobicContact CD2-CD1 3.94Å; F336-L389 HydrophobicContact CG-CD1 4.34Å; F336-Q392 HydrophobicContact CB-CB 4.02Å; F336-Q392 HydrophobicContact CB-CG 4.43Å; F336-Q392 HydrophobicContact CD1-CB 3.88Å; F336-Q392 HydrophobicContact CD2-CB 4.24Å; F336-Q392 HydrophobicContact CE1-CB 4.44Å; F336-Q392 HydrophobicContact CG-CB 3.77Å; F336-F396 HydrophobicContact CE1-CB 3.87Å; F336-F396 HydrophobicContact CE1-CD2 4.34Å; F336-F396 HydrophobicContact CE1-CG 4.26Å; F336-F396 HydrophobicContact CZ-CB 3.44Å; F336-F396 VanDerWaalsContact CZ-CB 3.44Å; F336-F396 HydrophobicContact CZ-CD1 4.27Å; F336-F396 HydrophobicContact CZ-CD2 4.12Å; F336-F396 AromaticContact CZ-CG 3.7Å; F336-F396 HydrophobicContact CZ-CG 3.7Å |
| 337 | L | 93.2 | Very high | 93.9 | Very high | 126 Ų | 126 | 54.6 Ų | 54.6 | 66% | 0.66 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -56.5 | -35.6 | 179.1 | -67.6 | 175.4 | 0 | 0 | 0 | 112.5 | P334 L339 | P334-L337 PolarHBondContact O-N 2.8Å; L337-L339 PolarHBondContact O-N 2.87Å |
| 338 | Q | 93.2 | Very high | 93.9 | Very high | 73 Ų | 73 | 54.3 Ų | 54.3 | 34% | 0.341 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -64.7 | -28.4 | 175 | -66.2 | 172.7 | 12.8 | 0 | 0 | 112.1 | R305 Y323 P334 L335 F336 | R305-Q338 PolarHBondContact NE-O 3.05Å; R305-Q338 PolarHBondContact NH2-O 3.17Å; Y323-Q338 PolarHBondContact OH-OE1 3.34Å; P334-Q338 WeakPolarHBondContact O-CG 3.25Å; P334-Q338 PolarHBondContact O-N 2.95Å; L335-Q338 PolarHBondContact O-N 3.37Å; F336-Q338 PolarHBondContact O-N 3.05Å |
| 339 | L | 95.7 | Very high | 93.9 | Very high | 1 Ų | 1 | 55.2 Ų | 55.2 | 1% | 0.005 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -98.9 | -20.5 | -174.2 | -62.9 | 172.8 | 0 | 0 | 0 | 113.9 | L308 L320 Y323 L324 L335 F336 L337 G341 L342 L343 F352 | L308-L339 HydrophobicContact CD1-CD2 4.13Å; L320-L339 HydrophobicContact CD1-CD1 4.18Å; L320-L339 HydrophobicContact CD1-CD2 4.14Å; Y323-L339 HydrophobicContact CD1-CD2 4.24Å; Y323-L339 HydrophobicContact CE1-CD2 4.04Å; L324-L339 HydrophobicContact CD2-CD1 3.53Å; L335-L339 HydrophobicContact CD1-CD1 4.31Å; F336-L339 CarbonylContact O-C 3.58Å; F336-L339 WeakPolarHBondContact O-CA 3.43Å; F336-L339 PolarHBondContact O-N 3.16Å; L337-L339 PolarHBondContact O-N 2.87Å; L339-G341 PolarHBondContact O-N 3.36Å; L339-L342 HydrophobicContact CD2-CD1 3.98Å; L339-L342 WeakPolarHBondContact O-CB 3.32Å; L339-L342 PolarHBondContact O-N 2.89Å; L339-L343 PolarHBondContact O-N 2.85Å; L339-F352 HydrophobicContact CD1-CE2 4.09Å |
| 340 | V | 93.7 | Very high | 93.9 | Very high | 40 Ų | 40 | 54.3 Ų | 54.3 | 24% | 0.242 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -44.7 | -44.9 | -175.7 | 172 | 0 | 0 | 0 | 0 | 113.1 | F336 L342 L343 F396 | F336-V340 HydrophobicContact CD1-CG2 3.64Å; F336-V340 HydrophobicContact CE1-CG2 3.44Å; F336-V340 VanDerWaalsContact CE1-CG2 3.44Å; F336-V340 HydrophobicContact CG-CG2 4.45Å; F336-V340 HydrophobicContact CZ-CG2 4.08Å; F336-V340 WeakPolarHBondContact O-CG2 3.46Å; F336-V340 PolarHBondContact O-N 3.39Å; V340-L342 VanDerWaalsContact C-N 3.27Å; V340-L342 PolarHBondContact O-N 3.45Å; V340-L343 PolarHBondContact O-N 3.13Å; V340-F396 HydrophobicContact CG1-CE2 4.06Å |
| 341 | G | 91.7 | Very high | 94 | Very high | 56 Ų | 56 | 48.3 Ų | 48.3 | 58% | 0.577 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -60.9 | -29.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115 | L339 | L339-G341 PolarHBondContact O-N 3.36Å |
| 342 | L | 93.7 | Very high | 94.1 | Very high | 11 Ų | 11 | 47.6 Ų | 47.6 | 6% | 0.058 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -76 | -31.7 | 173.8 | -72.3 | 169.5 | 0 | 0 | 0 | 112.2 | R305 L308 N309 F316 L339 V340 N344 D345 N348 | R305-L342 VanDerWaalsContact CZ-CD1 3.48Å; R305-L342 VanDerWaalsContact NH1-CD1 3.31Å; L308-L342 HydrophobicContact CB-CD1 3.76Å; L308-L342 HydrophobicContact CD1-CD1 4.15Å; N309-L342 HydrophobicContact CB-CD2 4.46Å; N309-L342 WeakPolarHBondContact OD1-CD2 3.08Å; F316-L342 HydrophobicContact CE2-CD1 4.24Å; L339-L342 HydrophobicContact CD2-CD1 3.98Å; L339-L342 WeakPolarHBondContact O-CB 3.32Å; L339-L342 PolarHBondContact O-N 2.89Å; V340-L342 VanDerWaalsContact C-N 3.27Å; V340-L342 PolarHBondContact O-N 3.45Å; L342-N344 PolarHBondContact O-N 3.45Å; L342-D345 PolarHBondContact O-N 3.47Å; L342-N348 VanDerWaalsContact O-CB 3.22Å; L342-N348 WeakPolarHBondContact O-CB 3.43Å; L342-N348 PolarHBondContact O-ND2 2.74Å; L342-N348 VanDerWaalsContact O-ND2 3.11Å |
| 343 | L | 93 | Very high | 94.2 | Very high | 4 Ų | 4 | 49.4 Ų | 49.4 | 2% | 0.021 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -79.6 | -4.7 | -172.3 | -59.8 | -176.8 | 0 | 0 | 0 | 113.5 | F336 L339 V340 L349 F352 F396 | F336-L343 HydrophobicContact CD2-CD1 4.3Å; F336-L343 HydrophobicContact CE2-CD1 3.54Å; F336-L343 HydrophobicContact CZ-CD1 4Å; L339-L343 PolarHBondContact O-N 2.85Å; V340-L343 PolarHBondContact O-N 3.13Å; L343-L349 HydrophobicContact CB-CD1 4.18Å; L343-L349 HydrophobicContact CD2-CD1 4.47Å; L343-F352 HydrophobicContact CD1-CD1 3.94Å; L343-F352 HydrophobicContact CD1-CE1 3.97Å; L343-F352 HydrophobicContact CD1-CG 4.41Å; L343-F352 HydrophobicContact CD1-CZ 4.49Å; L343-F352 HydrophobicContact CD2-CB 3.61Å; L343-F352 HydrophobicContact CD2-CD1 3.92Å; L343-F352 HydrophobicContact CD2-CD2 4.35Å; L343-F352 HydrophobicContact CD2-CG 3.71Å; L343-F396 HydrophobicContact CB-CE1 4.18Å; L343-F396 HydrophobicContact CB-CZ 4.22Å |
| 344 | N | 90 | Very high | 94.4 | Very high | 124 Ų | 124 | 50.9 Ų | 50.9 | 66% | 0.663 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | -23.8 | 168.7 | -70.4 | -23.1 | 0 | 0 | 0 | 112 | L342 | L342-N344 PolarHBondContact O-N 3.45Š|
| 345 | D | 92.8 | Very high | 94.6 | Very high | 75 Ų | 75 | 48 Ų | 48 | 40% | 0.401 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -81.2 | 135.5 | 171.3 | 175.8 | 72.7 | 0 | 0 | 0 | 111.1 | L342 E347 N348 L349 | L342-D345 PolarHBondContact O-N 3.47Å; D345-E347 PolarHBondContact O-N 2.74Å; D345-E347 WeakPolarHBondContact OD2-CA 3.33Å; D345-E347 WeakPolarHBondContact OD2-CB 3.39Å; D345-E347 PolarHBondContact OD2-N 3.5Å; D345-N348 HydrophobicContact CB-CB 4.16Å; D345-N348 PolarHBondContact OD2-N 2.77Å; D345-L349 VanDerWaalsContact O-CB 3.3Å; D345-L349 WeakPolarHBondContact O-CB 2.88Å; D345-L349 PolarHBondContact O-N 2.95Å |
| 346 | S | 92.9 | Very high | 94.7 | Very high | 99 Ų | 99 | 47.9 Ų | 47.9 | 69% | 0.692 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -70 | -31.6 | -173.5 | -172.7 | 0 | 0 | 0 | 0 | 113.4 | S350 | S346-S350 PolarHBondContact O-N 3.06Å; S346-S350 VanDerWaalsContact O-N 3.16Å |
| 347 | E | 94.5 | Very high | 94.7 | Very high | 110 Ų | 110 | 50.7 Ų | 50.7 | 51% | 0.514 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -72.1 | -47.6 | 178.4 | -171.5 | -175.7 | 157.3 | 0 | 0 | 109.6 | G313 D345 L349 S350 A351 | G313-E347 PolarHBondContact N-OE1 2.92Å; D345-E347 PolarHBondContact O-N 2.74Å; D345-E347 WeakPolarHBondContact OD2-CA 3.33Å; D345-E347 WeakPolarHBondContact OD2-CB 3.39Å; D345-E347 PolarHBondContact OD2-N 3.5Å; E347-L349 VanDerWaalsContact C-N 3.3Å; E347-L349 PolarHBondContact O-N 3.05Å; E347-S350 PolarHBondContact O-N 2.83Å; E347-S350 VanDerWaalsContact O-N 3.15Å; E347-A351 PolarHBondContact O-N 3.42Å |
| 348 | N | 95.6 | Very high | 94.8 | Very high | 21 Ų | 21 | 49.1 Ų | 49.1 | 11% | 0.112 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -59.3 | -41.2 | 175.7 | -69.5 | -18.3 | 0 | 0 | 0 | 112.3 | F316 L342 D345 S350 A351 F352 | F316-N348 HydrophobicContact CE1-CB 4.02Å; F316-N348 HydrophobicContact CZ-CB 3.84Å; L342-N348 VanDerWaalsContact O-CB 3.22Å; L342-N348 WeakPolarHBondContact O-CB 3.43Å; L342-N348 PolarHBondContact O-ND2 2.74Å; L342-N348 VanDerWaalsContact O-ND2 3.11Å; D345-N348 HydrophobicContact CB-CB 4.16Å; D345-N348 PolarHBondContact OD2-N 2.77Å; N348-S350 VanDerWaalsContact C-N 3.34Å; N348-A351 PolarHBondContact O-N 2.72Å; N348-F352 WeakPolarHBondContact O-CB 3.36Å; N348-F352 PolarHBondContact O-N 3.12Å |
| 349 | L | 95.5 | Very high | 94.9 | Very high | 23 Ų | 23 | 45.7 Ų | 45.7 | 12% | 0.12 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -63 | -40.5 | 176.8 | -174.7 | 57.4 | 0 | 0 | 0 | 112 | L343 D345 E347 E353 Y393 F396 K397 | L343-L349 HydrophobicContact CB-CD1 4.18Å; L343-L349 HydrophobicContact CD2-CD1 4.47Å; D345-L349 VanDerWaalsContact O-CB 3.3Å; D345-L349 WeakPolarHBondContact O-CB 2.88Å; D345-L349 PolarHBondContact O-N 2.95Å; E347-L349 VanDerWaalsContact C-N 3.3Å; E347-L349 PolarHBondContact O-N 3.05Å; L349-E353 WeakPolarHBondContact O-CB 3.35Å; L349-E353 PolarHBondContact O-N 2.67Å; L349-Y393 HydrophobicContact CD1-CE2 3.89Å; L349-F396 HydrophobicContact CD1-CD1 4.39Å; L349-F396 HydrophobicContact CD1-CE1 4Å; L349-F396 HydrophobicContact CD2-CE1 4.4Å; L349-K397 HydrophobicContact CD2-CD 4.32Å |
| 350 | S | 96.3 | Very high | 94.9 | Very high | 71 Ų | 71 | 50.8 Ų | 50.8 | 50% | 0.497 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -67.9 | -42 | 176.7 | -176 | 0 | 0 | 0 | 0 | 112.2 | S346 E347 N348 E353 S354 | S346-S350 PolarHBondContact O-N 3.06Å; S346-S350 VanDerWaalsContact O-N 3.16Å; E347-S350 PolarHBondContact O-N 2.83Å; E347-S350 VanDerWaalsContact O-N 3.15Å; N348-S350 VanDerWaalsContact C-N 3.34Å; S350-E353 PolarHBondContact O-N 2.86Å; S350-S354 WeakPolarHBondContact O-CB 3.43Å; S350-S354 PolarHBondContact O-N 3.47Å |
| 351 | A | 95.8 | Very high | 94.9 | Very high | 17 Ų | 17 | 53.5 Ų | 53.5 | 14% | 0.14 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -63.1 | -42.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112 | F316 E347 N348 S354 L355 | F316-A351 HydrophobicContact CD1-CB 3.87Å; F316-A351 HydrophobicContact CE1-CB 3.91Å; E347-A351 PolarHBondContact O-N 3.42Å; N348-A351 PolarHBondContact O-N 2.72Å; A351-S354 WeakPolarHBondContact O-CB 3.44Å; A351-S354 PolarHBondContact O-N 3.13Å; A351-L355 PolarHBondContact O-N 3.45Å |
| 352 | F | 97.2 | Very high | 94.9 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -62.6 | -45.9 | 175.1 | -178.9 | -108.4 | 0 | 0 | 0 | 112.1 | L320 L324 F336 L339 L343 N348 S354 L355 L356 L389 Y393 | L320-F352 HydrophobicContact CD2-CB 4.22Å; L320-F352 HydrophobicContact CD2-CD2 4.16Å; L324-F352 HydrophobicContact CD1-CD2 4.09Å; L324-F352 HydrophobicContact CD1-CE2 4Å; L324-F352 HydrophobicContact CD2-CE2 4.08Å; F336-F352 HydrophobicContact CD2-CE1 4.31Å; F336-F352 HydrophobicContact CD2-CZ 4.16Å; F336-F352 HydrophobicContact CE2-CE1 4.03Å; F336-F352 HydrophobicContact CE2-CZ 4.33Å; L339-F352 HydrophobicContact CD1-CE2 4.09Å; L343-F352 HydrophobicContact CD1-CD1 3.94Å; L343-F352 HydrophobicContact CD1-CE1 3.97Å; L343-F352 HydrophobicContact CD1-CG 4.41Å; L343-F352 HydrophobicContact CD1-CZ 4.49Å; L343-F352 HydrophobicContact CD2-CB 3.61Å; L343-F352 HydrophobicContact CD2-CD1 3.92Å; L343-F352 HydrophobicContact CD2-CD2 4.35Å; L343-F352 HydrophobicContact CD2-CG 3.71Å; N348-F352 WeakPolarHBondContact O-CB 3.36Å; N348-F352 PolarHBondContact O-N 3.12Å; F352-S354 VanDerWaalsContact C-N 3.32Å; F352-S354 PolarHBondContact O-N 3.1Å; F352-L355 PolarHBondContact O-N 3.43Å; F352-L356 HydrophobicContact CD1-CD1 3.94Å; F352-L356 HydrophobicContact CD1-CG 4.39Å; F352-L356 HydrophobicContact CE1-CD1 3.39Å; F352-L356 HydrophobicContact CE1-CG 4.08Å; F352-L356 HydrophobicContact CE2-CD1 4.46Å; F352-L356 HydrophobicContact CE2-CD2 4.36Å; F352-L356 HydrophobicContact CE2-CG 4.36Å; F352-L356 HydrophobicContact CZ-CD1 3.69Å; F352-L356 HydrophobicContact CZ-CD2 4.16Å; F352-L356 HydrophobicContact CZ-CG 4.06Å; F352-L356 WeakPolarHBondContact O-CG 3.3Å; F352-L356 PolarHBondContact O-N 2.69Å; F352-L389 HydrophobicContact CE2-CD2 4.49Å; F352-L389 HydrophobicContact CZ-CD1 4.03Å; F352-L389 HydrophobicContact CZ-CD2 4.33Å; F352-L389 HydrophobicContact CZ-CG 4.2Å; F352-Y393 AromaticContact CD1-CD2 3.91Å; F352-Y393 HydrophobicContact CD1-CD2 3.91Å; F352-Y393 HydrophobicContact CD1-CE2 4.3Å; F352-Y393 AromaticContact CE1-CD2 3.75Å; F352-Y393 HydrophobicContact CE1-CD2 3.75Å; F352-Y393 HydrophobicContact CE1-CG 4.17Å |
| 353 | E | 96.9 | Very high | 94.8 | Very high | 71 Ų | 71 | 51.6 Ų | 51.6 | 33% | 0.332 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -59.4 | -41.4 | 175.3 | 176.6 | 165.1 | -145 | 0 | 0 | 112.5 | L349 S350 L356 T357 Y393 | L349-E353 WeakPolarHBondContact O-CB 3.35Å; L349-E353 PolarHBondContact O-N 2.67Å; S350-E353 PolarHBondContact O-N 2.86Å; E353-L356 PolarHBondContact O-N 2.64Å; E353-T357 WeakPolarHBondContact O-CB 3.17Å; E353-T357 PolarHBondContact O-N 3.1Å; E353-T357 PolarHBondContact O-OG1 3.16Å; E353-Y393 HydrophobicContact CB-CE2 4.49Å; E353-Y393 WeakPolarHBondContact CG-OH 3.25Å; E353-Y393 PolarHBondContact OE1-OH 2.95Å; E353-Y393 PolarHBondContact OE2-OH 3.28Å |
| 354 | S | 96.5 | Very high | 94.6 | Very high | 67 Ų | 67 | 56.2 Ų | 56.2 | 47% | 0.469 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -60.5 | -45.7 | 175.6 | -172.4 | 0 | 0 | 0 | 0 | 111.8 | S350 A351 F352 T357 K358 | S350-S354 WeakPolarHBondContact O-CB 3.43Å; S350-S354 PolarHBondContact O-N 3.47Å; A351-S354 WeakPolarHBondContact O-CB 3.44Å; A351-S354 PolarHBondContact O-N 3.13Å; F352-S354 VanDerWaalsContact C-N 3.32Å; F352-S354 PolarHBondContact O-N 3.1Å; S354-T357 PolarHBondContact O-N 2.94Å; S354-K358 WeakPolarHBondContact O-CB 3.07Å; S354-K358 PolarHBondContact O-N 3.23Å |
| 355 | L | 97.1 | Very high | 94.6 | Very high | 1 Ų | 1 | 53.9 Ų | 53.9 | 1% | 0.005 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -64.2 | -44.9 | 176.6 | -73.5 | 176.4 | 0 | 0 | 0 | 112.5 | L317 L320 D321 L324 A351 F352 T357 K358 Y359 | L317-L355 HydrophobicContact CD2-CD2 3.86Å; L317-L355 HydrophobicContact CG-CD1 4.4Å; L317-L355 HydrophobicContact CG-CD2 4.08Å; L317-L355 HydrophobicContact CG-CG 4.2Å; L320-L355 HydrophobicContact CB-CD1 4.01Å; L320-L355 HydrophobicContact CD2-CD1 3.82Å; L320-L355 HydrophobicContact CG-CD1 3.74Å; D321-L355 HydrophobicContact CB-CD1 4.18Å; D321-L355 HydrophobicContact CB-CD2 3.95Å; L324-L355 HydrophobicContact CD1-CD1 4.18Å; A351-L355 PolarHBondContact O-N 3.45Å; F352-L355 PolarHBondContact O-N 3.43Å; L355-T357 VanDerWaalsContact C-N 3.3Å; L355-T357 PolarHBondContact O-N 3.08Å; L355-K358 WeakPolarHBondContact O-CB 3.44Å; L355-K358 PolarHBondContact O-N 3.4Å; L355-Y359 HydrophobicContact CB-CE2 4.2Å; L355-Y359 WeakPolarHBondContact O-CD2 3.38Å; L355-Y359 PolarHBondContact O-N 3.28Å |
| 356 | L | 96.9 | Very high | 94.3 | Very high | 2 Ų | 2 | 53 Ų | 53 | 1% | 0.01 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -60.3 | -41.6 | 176.7 | -70.6 | -173.4 | 0 | 0 | 0 | 112 | F352 E353 Y359 R360 L386 L389 L390 Y393 | F352-L356 HydrophobicContact CD1-CD1 3.94Å; F352-L356 HydrophobicContact CD1-CG 4.39Å; F352-L356 HydrophobicContact CE1-CD1 3.39Å; F352-L356 HydrophobicContact CE1-CG 4.08Å; F352-L356 HydrophobicContact CE2-CD1 4.46Å; F352-L356 HydrophobicContact CE2-CD2 4.36Å; F352-L356 HydrophobicContact CE2-CG 4.36Å; F352-L356 HydrophobicContact CZ-CD1 3.69Å; F352-L356 HydrophobicContact CZ-CD2 4.16Å; F352-L356 HydrophobicContact CZ-CG 4.06Å; F352-L356 WeakPolarHBondContact O-CG 3.3Å; F352-L356 PolarHBondContact O-N 2.69Å; E353-L356 PolarHBondContact O-N 2.64Å; L356-Y359 HydrophobicContact CD2-CD2 4.38Å; L356-Y359 PolarHBondContact O-N 3.26Å; L356-R360 WeakPolarHBondContact O-CB 3.44Å; L356-R360 PolarHBondContact O-N 3.04Å; L356-L386 HydrophobicContact CD2-CD1 4.36Å; L356-L389 HydrophobicContact CD2-CD2 3.64Å; L356-L389 HydrophobicContact CD2-CG 4.01Å; L356-L390 HydrophobicContact CB-CD2 3.93Å; L356-L390 HydrophobicContact CD1-CD2 4.11Å; L356-L390 HydrophobicContact CG-CD2 4.49Å; L356-Y393 HydrophobicContact CD1-CD1 3.99Å; L356-Y393 HydrophobicContact CD1-CD2 4.29Å; L356-Y393 HydrophobicContact CD1-CG 3.76Å |
| 357 | T | 96 | Very high | 94.1 | Very high | 72 Ų | 72 | 49.3 Ų | 49.3 | 44% | 0.442 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -63.4 | -44.3 | 175.8 | -57.1 | 0 | 0 | 0 | 0 | 111 | E353 S354 L355 R360 N361 | E353-T357 WeakPolarHBondContact O-CB 3.17Å; E353-T357 PolarHBondContact O-N 3.1Å; E353-T357 PolarHBondContact O-OG1 3.16Å; S354-T357 PolarHBondContact O-N 2.94Å; L355-T357 VanDerWaalsContact C-N 3.3Å; L355-T357 PolarHBondContact O-N 3.08Å; T357-R360 PolarHBondContact O-N 2.71Å; T357-N361 WeakPolarHBondContact O-CB 3.31Å; T357-N361 PolarHBondContact O-N 2.98Å; T357-N361 PolarHBondContact O-ND2 3.32Å |
| 358 | K | 95.2 | Very high | 94 | Very high | 94 Ų | 94 | 44.4 Ų | 44.4 | 41% | 0.409 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -60.2 | -45.9 | 175.8 | -176.9 | -177.8 | 176 | -173.8 | 0 | 111.6 | S354 L355 N361 S362 | S354-K358 WeakPolarHBondContact O-CB 3.07Å; S354-K358 PolarHBondContact O-N 3.23Å; L355-K358 WeakPolarHBondContact O-CB 3.44Å; L355-K358 PolarHBondContact O-N 3.4Å; K358-N361 PolarHBondContact O-N 3.08Å; K358-S362 WeakPolarHBondContact O-CB 3.37Å; K358-S362 PolarHBondContact O-N 3.12Å |
| 359 | Y | 96.4 | Very high | 93.8 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -63.1 | -45.7 | 177.3 | -61.6 | -25.8 | 0 | 0 | 0 | 111.9 | D321 L324 K325 I328 L355 L356 N361 S362 M363 L369 L386 | D321-Y359 WeakPolarHBondContact CA-OH 3.42Å; D321-Y359 WeakPolarHBondContact OD1-CE1 3.46Å; D321-Y359 PolarHBondContact OD1-OH 3.38Å; L324-Y359 HydrophobicContact CB-CE2 4.18Å; L324-Y359 HydrophobicContact CD1-CE2 3.96Å; K325-Y359 HydrophobicContact CG-CE1 4.34Å; I328-Y359 HydrophobicContact CD1-CD2 4.07Å; I328-Y359 HydrophobicContact CD1-CE2 3.98Å; L355-Y359 HydrophobicContact CB-CE2 4.2Å; L355-Y359 WeakPolarHBondContact O-CD2 3.38Å; L355-Y359 PolarHBondContact O-N 3.28Å; L356-Y359 HydrophobicContact CD2-CD2 4.38Å; L356-Y359 PolarHBondContact O-N 3.26Å; Y359-N361 VanDerWaalsContact C-N 3.34Å; Y359-N361 PolarHBondContact O-N 3.35Å; Y359-S362 PolarHBondContact O-N 3Å; Y359-M363 VanDerWaalsContact O-CB 3.23Å; Y359-M363 WeakPolarHBondContact O-CB 3.49Å; Y359-M363 PolarHBondContact O-N 3.4Å; Y359-L369 HydrophobicContact CD1-CB 4.34Å; Y359-L369 HydrophobicContact CG-CD2 4.22Å; Y359-L386 HydrophobicContact CD2-CD1 4.06Å; Y359-L386 HydrophobicContact CG-CD1 4.41Å |
| 360 | R | 94.5 | Very high | 93.4 | Very high | 108 Ų | 108 | 44.9 Ų | 44.9 | 41% | 0.408 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -60.6 | -43.5 | 179 | -170.2 | 178.1 | -175.4 | 175.9 | 2.1 | 112 | L356 T357 S364 L390 | L356-R360 WeakPolarHBondContact O-CB 3.44Å; L356-R360 PolarHBondContact O-N 3.04Å; T357-R360 PolarHBondContact O-N 2.71Å; R360-S364 WeakPolarHBondContact O-CB 3.34Å; R360-S364 PolarHBondContact O-N 3.15Å; R360-S364 VanDerWaalsContact O-N 3.12Å; R360-S364 PolarHBondContact O-OG 3.16Å; R360-L390 HydrophobicContact CB-CD1 4.4Å; R360-L390 HydrophobicContact CG-CD1 4.32Å |
| 361 | N | 94.1 | Very high | 92.3 | Very high | 98 Ų | 98 | 44.5 Ų | 44.5 | 52% | 0.524 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -69.8 | -39.5 | 178 | -67.5 | -15.9 | 0 | 0 | 0 | 112.2 | T357 K358 Y359 S364 A365 | T357-N361 WeakPolarHBondContact O-CB 3.31Å; T357-N361 PolarHBondContact O-N 2.98Å; T357-N361 PolarHBondContact O-ND2 3.32Å; K358-N361 PolarHBondContact O-N 3.08Å; Y359-N361 VanDerWaalsContact C-N 3.34Å; Y359-N361 PolarHBondContact O-N 3.35Å; N361-S364 PolarHBondContact O-OG 3.3Å; N361-A365 VanDerWaalsContact O-CB 3.31Å; N361-A365 WeakPolarHBondContact O-CB 3.44Å; N361-A365 PolarHBondContact O-N 2.82Å |
| 362 | S | 92.8 | Very high | 91.2 | Very high | 8 Ų | 8 | 51.6 Ų | 51.6 | 6% | 0.056 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -68.8 | -39.9 | 177.8 | -170.5 | 0 | 0 | 0 | 0 | 111.9 | K358 Y359 A365 N366 S368 D370 A371 | K358-S362 WeakPolarHBondContact O-CB 3.37Å; K358-S362 PolarHBondContact O-N 3.12Å; Y359-S362 PolarHBondContact O-N 3Å; S362-A365 PolarHBondContact O-N 3.45Å; S362-N366 WeakPolarHBondContact O-CB 3.47Å; S362-N366 PolarHBondContact O-N 3.33Å; S362-S368 CarbonylContact C-O 3.57Å; S362-S368 WeakPolarHBondContact CB-O 3.37Å; S362-S368 PolarHBondContact OG-O 3.44Å; S362-D370 PolarHBondContact OG-O 2.85Å; S362-A371 WeakPolarHBondContact OG-CA 3.49Å; S362-A371 PolarHBondContact OG-N 3.32Å |
| 363 | M | 91.9 | Very high | 89.5 | Confident | 19 Ų | 19 | 60 Ų | 60 | 9% | 0.094 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -66.6 | -40.6 | 178.2 | -166.9 | 65.9 | 98.7 | 0 | 0 | 111.1 | Y359 G367 S368 L369 E378 T382 D383 L386 | Y359-M363 VanDerWaalsContact O-CB 3.23Å; Y359-M363 WeakPolarHBondContact O-CB 3.49Å; Y359-M363 PolarHBondContact O-N 3.4Å; M363-G367 VanDerWaalsContact O-CA 3.23Å; M363-G367 WeakPolarHBondContact O-CA 3.28Å; M363-G367 PolarHBondContact O-N 2.62Å; M363-G367 VanDerWaalsContact SD-C 3.54Å; M363-S368 PolarHBondContact N-O 2.82Å; M363-L369 HydrophobicContact CE-CD2 3.76Å; M363-L369 HydrophobicContact CE-CG 4.2Å; M363-E378 HydrophobicContact CE-CB 4.25Å; M363-E378 HydrophobicContact CE-CG 4.47Å; M363-E378 HydrophobicContact SD-CB 4.44Å; M363-T382 HydrophobicContact CE-CG2 3.69Å; M363-D383 HydrophobicContact CE-CB 4.06Å; M363-D383 HydrophobicContact CG-CB 4.16Å; M363-D383 WeakPolarHBondContact CG-OD1 3.47Å; M363-D383 HydrophobicContact SD-CB 4.47Å; M363-L386 HydrophobicContact CB-CD2 4.17Å |
| 364 | S | 88.8 | Confident | 87.9 | Confident | 100 Ų | 100 | 60 Ų | 60 | 70% | 0.699 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -70.7 | -35 | 177.1 | 64.4 | 0 | 0 | 0 | 0 | 113.5 | R360 N361 | R360-S364 WeakPolarHBondContact O-CB 3.34Å; R360-S364 PolarHBondContact O-N 3.15Å; R360-S364 VanDerWaalsContact O-N 3.12Å; R360-S364 PolarHBondContact O-OG 3.16Å; N361-S364 PolarHBondContact O-OG 3.3Å |
| 365 | A | 88.9 | Confident | 86.5 | Confident | 75 Ų | 75 | 64.9 Ų | 64.9 | 62% | 0.62 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -80 | -47.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | N361 S362 | N361-A365 VanDerWaalsContact O-CB 3.31Å; N361-A365 WeakPolarHBondContact O-CB 3.44Å; N361-A365 PolarHBondContact O-N 2.82Å; S362-A365 PolarHBondContact O-N 3.45Å |
| 366 | N | 87.1 | Confident | 85.5 | Confident | 57 Ų | 57 | 72.3 Ų | 72.3 | 31% | 0.305 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -117.2 | -12 | -165.8 | -59.8 | -12.2 | 0 | 0 | 0 | 113.4 | S362 S368 A371 | S362-N366 WeakPolarHBondContact O-CB 3.47Å; S362-N366 PolarHBondContact O-N 3.33Å; N366-S368 VanDerWaalsContact C-N 3.26Å; N366-A371 PolarHBondContact ND2-O 3.08Å |
| 367 | G | 89.1 | Confident | 84.9 | Confident | 21 Ų | 21 | 80.5 Ų | 80.5 | 22% | 0.216 | 44% | 0.435 | C | S | . | . | S | Bend | trans | 66.9 | 28 | -169.7 | 0 | 0 | 0 | 0 | 0 | 113 | M363 E378 | M363-G367 VanDerWaalsContact O-CA 3.23Å; M363-G367 WeakPolarHBondContact O-CA 3.28Å; M363-G367 PolarHBondContact O-N 2.62Å; M363-G367 VanDerWaalsContact SD-C 3.54Å; G367-E378 PolarHBondContact O-N 3.26Å |
| 368 | S | 90.7 | Very high | 84.7 | Confident | 7 Ų | 7 | 79 Ų | 79 | 5% | 0.049 | 42% | 0.423 | C | S | . | . | S | Bend | trans | -140.6 | 149.5 | 177.6 | -179.3 | 0 | 0 | 0 | 0 | 112.3 | S362 M363 N366 D370 | S362-S368 CarbonylContact C-O 3.57Å; S362-S368 WeakPolarHBondContact CB-O 3.37Å; S362-S368 PolarHBondContact OG-O 3.44Å; M363-S368 PolarHBondContact N-O 2.82Å; N366-S368 VanDerWaalsContact C-N 3.26Å; S368-D370 PolarHBondContact O-N 3.43Å; S368-D370 PolarHBondContact OG-N 3.3Å; S368-D370 VanDerWaalsContact OG-N 3.14Å |
| 369 | L | 91.2 | Very high | 84.5 | Confident | 0 Ų | 0 | 76.9 Ų | 76.9 | 0% | 0 | 42% | 0.422 | C | S | . | . | S | Bend | trans | -68.4 | -20.9 | 170.6 | -61.6 | 179.2 | 0 | 0 | 0 | 112.2 | K325 I328 R329 Y359 M363 T382 L386 | K325-L369 HydrophobicContact CB-CD1 4.36Å; K325-L369 HydrophobicContact CG-CB 4.4Å; K325-L369 HydrophobicContact CG-CD1 4.11Å; I328-L369 HydrophobicContact CB-CD1 4.14Å; I328-L369 HydrophobicContact CG2-CD1 3.99Å; I328-L369 HydrophobicContact CG2-CD2 4.41Å; R329-L369 HydrophobicContact CG-CD1 4.2Å; Y359-L369 HydrophobicContact CD1-CB 4.34Å; Y359-L369 HydrophobicContact CG-CD2 4.22Å; M363-L369 HydrophobicContact CE-CD2 3.76Å; M363-L369 HydrophobicContact CE-CG 4.2Å; L369-T382 HydrophobicContact CD1-CG2 3.75Å; L369-T382 HydrophobicContact CD2-CG2 4.26Å; L369-T382 HydrophobicContact CG-CG2 3.94Å; L369-L386 HydrophobicContact CD2-CD2 3.99Å |
| 370 | D | 87.4 | Confident | 84.3 | Confident | 55 Ų | 55 | 82.2 Ų | 82.2 | 29% | 0.294 | 46% | 0.457 | S | S | . | . | S | Bend | trans | -93.1 | 133.1 | 178.8 | -70.1 | -60.5 | 0 | 0 | 0 | 110.8 | K325 R329 S362 S368 Q372 | K325-D370 WeakPolarHBondContact CE-OD1 3.4Å; K325-D370 IonicContact NZ-OD1 3.84Å; K325-D370 PolarHBondContact NZ-OD1 3.44Å; R329-D370 IonicContact CZ-OD2 2.75Å; R329-D370 IonicContact NH2-OD2 3.72Å; R329-D370 PolarHBondContact NH2-OD2 2.7Å; S362-D370 PolarHBondContact OG-O 2.85Å; S368-D370 PolarHBondContact O-N 3.43Å; S368-D370 PolarHBondContact OG-N 3.3Å; S368-D370 VanDerWaalsContact OG-N 3.14Å; D370-Q372 PolarHBondContact O-N 2.81Å |
| 371 | A | 74.7 | Confident | 84.2 | Confident | 63 Ų | 63 | 80.6 Ų | 80.6 | 52% | 0.521 | 46% | 0.459 | S | S | . | . | S | Bend | trans | -69.5 | -17.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | S362 N366 | S362-A371 WeakPolarHBondContact OG-CA 3.49Å; S362-A371 PolarHBondContact OG-N 3.32Å; N366-A371 PolarHBondContact ND2-O 3.08Å |
| 372 | Q | 72.6 | Confident | 84.2 | Confident | 165 Ų | 165 | 76 Ų | 76 | 77% | 0.771 | 44% | 0.435 | S | S | * | . | S | Bend | trans | -75.8 | 138.6 | 177.4 | -68.1 | -178.3 | -14.8 | 0 | 0 | 109.8 | D370 S374 | D370-Q372 PolarHBondContact O-N 2.81Å; Q372-S374 VanDerWaalsContact C-N 3.26Å; Q372-S374 PolarHBondContact O-N 3.19Å |
| 373 | E | 60 | Low | 84.3 | Confident | 178 Ų | 178 | 78.5 Ų | 78.5 | 83% | 0.832 | 45% | 0.447 | S | S | * | . | trans | -62.2 | 89.3 | 170.1 | -71.8 | -178.9 | 171.1 | 0 | 0 | 109.3 | ||||
| 374 | S | 63.1 | Low | 84.5 | Confident | 69 Ų | 69 | 78.4 Ų | 78.4 | 48% | 0.483 | 45% | 0.448 | S | S | . | . | trans | -82 | 140.1 | 161.5 | -179.4 | 0 | 0 | 0 | 0 | 108.2 | Q372 E376 | Q372-S374 VanDerWaalsContact C-N 3.26Å; Q372-S374 PolarHBondContact O-N 3.19Å; S374-E376 PolarHBondContact O-N 2.84Å; S374-E376 PolarHBondContact OG-N 3.47Å | ||
| 375 | N | 67.6 | Low | 84.9 | Confident | 170 Ų | 170 | 75.5 Ų | 75.5 | 91% | 0.909 | 42% | 0.422 | S | S | * | . | S | Bend | trans | -67.8 | -11.9 | 172 | -75.4 | -20.3 | 0 | 0 | 0 | 112.6 | ||
| 376 | E | 76.6 | Confident | 85.3 | Confident | 158 Ų | 158 | 72 Ų | 72 | 74% | 0.738 | 39% | 0.392 | S | S | * | . | S | Bend | trans | -101.5 | 111.4 | -179.1 | -64.5 | -177.1 | 176.5 | 0 | 0 | 110.5 | S374 | S374-E376 PolarHBondContact O-N 2.84Å; S374-E376 PolarHBondContact OG-N 3.47Å |
| 377 | K | 85 | Confident | 85.8 | Confident | 174 Ų | 174 | 70 Ų | 70 | 76% | 0.757 | 38% | 0.382 | S | S | * | . | P | Polyproline II helix | trans | -72.6 | 143.8 | 171.2 | -66.7 | -173.9 | 177 | -174.2 | 0 | 110.2 | ||
| 378 | E | 90.6 | Very high | 86.3 | Confident | 41 Ų | 41 | 69.8 Ų | 69.8 | 19% | 0.192 | 38% | 0.375 | C | S | . | . | P | Polyproline II helix | trans | -65.9 | 154.9 | 174 | -65.2 | -78.9 | -170.6 | 0 | 0 | 110.8 | R329 M363 G367 T382 | R329-E378 IonicContact CZ-OE1 3.28Å; R329-E378 IonicContact NE-OE1 3.57Å; R329-E378 PolarHBondContact NE-OE1 3.05Å; R329-E378 IonicContact NE-OE2 3.57Å; R329-E378 PolarHBondContact NE-OE2 2.97Å; R329-E378 IonicContact NH2-OE1 2.99Å; R329-E378 PolarHBondContact NH2-OE1 3.28Å; M363-E378 HydrophobicContact CE-CB 4.25Å; M363-E378 HydrophobicContact CE-CG 4.47Å; M363-E378 HydrophobicContact SD-CB 4.44Å; G367-E378 PolarHBondContact O-N 3.26Å; E378-T382 HydrophobicContact CB-CG2 4.16Å; E378-T382 HydrophobicContact CG-CG2 4.31Å |
| 379 | A | 91.4 | Very high | 86.6 | Confident | 49 Ų | 49 | 69.6 Ų | 69.6 | 41% | 0.405 | 37% | 0.373 | S | S | . | . | P | Polyproline II helix | trans | -62 | 145 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | T381 T382 | A379-T381 WeakPolarHBondContact CB-OG1 3.45Å; A379-T381 PolarHBondContact O-N 2.95Å; A379-T381 VanDerWaalsContact O-N 3.07Å; A379-T382 WeakPolarHBondContact O-CB 3.48Å; A379-T382 PolarHBondContact O-N 3.15Å; A379-T382 PolarHBondContact O-OG1 2.75Å; A379-T382 VanDerWaalsContact O-OG1 3.11Å |
| 380 | P | 91 | Very high | 86.9 | Confident | 111 Ų | 111 | 69.8 Ų | 69.8 | 72% | 0.721 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -53.9 | -30.8 | 176.8 | -27.3 | 34.7 | 0 | 0 | 0 | 113.8 | T382 D383 V384 | P380-T382 PolarHBondContact O-N 3.33Å; P380-D383 PolarHBondContact O-N 3.27Å; P380-D383 VanDerWaalsContact O-N 3.15Å; P380-V384 PolarHBondContact O-N 3.23Å |
| 381 | T | 93.1 | Very high | 87.5 | Confident | 75 Ų | 75 | 67.2 Ų | 67.2 | 46% | 0.46 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -59.2 | -32.1 | 174.3 | 50.8 | 0 | 0 | 0 | 0 | 112.8 | A379 D383 V384 W385 | A379-T381 WeakPolarHBondContact CB-OG1 3.45Å; A379-T381 PolarHBondContact O-N 2.95Å; A379-T381 VanDerWaalsContact O-N 3.07Å; T381-D383 VanDerWaalsContact C-N 3.31Å; T381-D383 PolarHBondContact O-N 3.06Å; T381-V384 WeakPolarHBondContact O-CB 3.34Å; T381-V384 PolarHBondContact O-N 3.49Å; T381-W385 PolarHBondContact O-N 2.98Å |
| 382 | T | 95.2 | Very high | 88.6 | Confident | 2 Ų | 2 | 65.1 Ų | 65.1 | 1% | 0.012 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -63.3 | -39.5 | 177.1 | -49.8 | 0 | 0 | 0 | 0 | 111.1 | I328 R329 M363 L369 E378 A379 P380 L386 | I328-T382 HydrophobicContact CG2-CG2 3.89Å; I328-T382 WeakPolarHBondContact CG2-O 3.34Å; R329-T382 HydrophobicContact CG-CG2 4.05Å; M363-T382 HydrophobicContact CE-CG2 3.69Å; L369-T382 HydrophobicContact CD1-CG2 3.75Å; L369-T382 HydrophobicContact CD2-CG2 4.26Å; L369-T382 HydrophobicContact CG-CG2 3.94Å; E378-T382 HydrophobicContact CB-CG2 4.16Å; E378-T382 HydrophobicContact CG-CG2 4.31Å; A379-T382 WeakPolarHBondContact O-CB 3.48Å; A379-T382 PolarHBondContact O-N 3.15Å; A379-T382 PolarHBondContact O-OG1 2.75Å; A379-T382 VanDerWaalsContact O-OG1 3.11Å; P380-T382 PolarHBondContact O-N 3.33Å; T382-L386 WeakPolarHBondContact O-CB 3.47Å; T382-L386 PolarHBondContact O-N 3Å |
| 383 | D | 94.9 | Very high | 89.8 | Confident | 59 Ų | 59 | 57.5 Ų | 57.5 | 32% | 0.316 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -68.7 | -43.1 | 176.2 | -175.9 | 54.3 | 0 | 0 | 0 | 111 | M363 P380 T381 W385 L386 N387 | M363-D383 HydrophobicContact CE-CB 4.06Å; M363-D383 HydrophobicContact CG-CB 4.16Å; M363-D383 WeakPolarHBondContact CG-OD1 3.47Å; M363-D383 HydrophobicContact SD-CB 4.47Å; P380-D383 PolarHBondContact O-N 3.27Å; P380-D383 VanDerWaalsContact O-N 3.15Å; T381-D383 VanDerWaalsContact C-N 3.31Å; T381-D383 PolarHBondContact O-N 3.06Å; D383-W385 PolarHBondContact O-N 3.4Å; D383-L386 WeakPolarHBondContact O-CB 3.2Å; D383-L386 PolarHBondContact O-N 3.31Å; D383-N387 PolarHBondContact O-N 3.44Å; D383-N387 PolarHBondContact O-ND2 2.96Å; D383-N387 PolarHBondContact OD1-ND2 2.94Å; D383-N387 PolarHBondContact OD2-ND2 3.35Å |
| 384 | V | 95.9 | Very high | 91.6 | Very high | 17 Ų | 17 | 51.2 Ų | 51.2 | 10% | 0.103 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -54.3 | -50.4 | 174.5 | 170 | 0 | 0 | 0 | 0 | 111.4 | P380 T381 N387 Y388 T414 L417 F420 | P380-V384 PolarHBondContact O-N 3.23Å; T381-V384 WeakPolarHBondContact O-CB 3.34Å; T381-V384 PolarHBondContact O-N 3.49Å; V384-N387 PolarHBondContact O-N 3.46Å; V384-Y388 PolarHBondContact O-N 3Å; V384-T414 HydrophobicContact CG2-CG2 4.07Å; V384-L417 HydrophobicContact CG1-CD2 3.57Å; V384-F420 HydrophobicContact CG1-CE2 3.79Å; V384-F420 HydrophobicContact CG1-CZ 4.24Å |
| 385 | W | 96.8 | Very high | 93.2 | Very high | 40 Ų | 40 | 48.7 Ų | 48.7 | 15% | 0.152 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -75.7 | -24.2 | -178.6 | -69.4 | 112.6 | 0 | 0 | 0 | 113.9 | P333 T381 D383 Y388 L389 D419 | P333-W385 HydrophobicContact CB-CH2 4.16Å; P333-W385 HydrophobicContact CB-CZ3 3.7Å; P333-W385 HydrophobicContact CG-CH2 3.61Å; P333-W385 HydrophobicContact CG-CZ3 3.65Å; T381-W385 PolarHBondContact O-N 2.98Å; D383-W385 PolarHBondContact O-N 3.4Å; W385-Y388 AromaticContact CE3-CD1 3.97Å; W385-Y388 HydrophobicContact CE3-CD1 3.97Å; W385-Y388 AromaticContact CE3-CG 3.9Å; W385-Y388 HydrophobicContact CE3-CG 3.9Å; W385-Y388 AromaticContact CZ3-CD1 3.96Å; W385-Y388 HydrophobicContact CZ3-CD1 3.96Å; W385-Y388 HydrophobicContact CZ3-CD2 4.26Å; W385-Y388 HydrophobicContact CZ3-CE1 4.24Å; W385-Y388 AromaticContact CZ3-CG 3.96Å; W385-Y388 HydrophobicContact CZ3-CG 3.96Å; W385-L389 PolarHBondContact O-N 3.4Å; W385-D419 HydrophobicContact CH2-CB 4.15Å; W385-D419 HydrophobicContact CZ3-CB 4.38Å |
| 386 | L | 97.5 | Very high | 94.6 | Very high | 1 Ų | 1 | 43.7 Ų | 43.7 | 1% | 0.005 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -65 | -45.2 | 166.9 | 174.7 | 62.2 | 0 | 0 | 0 | 110.8 | I328 L356 Y359 M363 L369 T382 D383 Y388 L389 L390 | I328-L386 HydrophobicContact CD1-CD1 4.38Å; I328-L386 HydrophobicContact CG2-CB 4.07Å; L356-L386 HydrophobicContact CD2-CD1 4.36Å; Y359-L386 HydrophobicContact CD2-CD1 4.06Å; Y359-L386 HydrophobicContact CG-CD1 4.41Å; M363-L386 HydrophobicContact CB-CD2 4.17Å; L369-L386 HydrophobicContact CD2-CD2 3.99Å; T382-L386 WeakPolarHBondContact O-CB 3.47Å; T382-L386 PolarHBondContact O-N 3Å; D383-L386 WeakPolarHBondContact O-CB 3.2Å; D383-L386 PolarHBondContact O-N 3.31Å; L386-Y388 VanDerWaalsContact C-N 3.34Å; L386-L389 PolarHBondContact O-N 3.04Å; L386-L390 HydrophobicContact CD1-CD1 4.47Å; L386-L390 HydrophobicContact CG-CD1 4.18Å; L386-L390 WeakPolarHBondContact O-CG 3.45Å; L386-L390 PolarHBondContact O-N 2.93Å |
| 387 | N | 97.8 | Very high | 95.4 | Very high | 15 Ų | 15 | 39.7 Ų | 39.7 | 8% | 0.08 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -65.6 | -36.3 | 176.3 | -74.5 | -62.8 | 0 | 0 | 0 | 112 | D383 V384 L390 A391 I406 Q410 | D383-N387 PolarHBondContact O-N 3.44Å; D383-N387 PolarHBondContact O-ND2 2.96Å; D383-N387 PolarHBondContact OD1-ND2 2.94Å; D383-N387 PolarHBondContact OD2-ND2 3.35Å; V384-N387 PolarHBondContact O-N 3.46Å; N387-L390 PolarHBondContact O-N 3.33Å; N387-A391 WeakPolarHBondContact O-CB 3.44Å; N387-A391 PolarHBondContact O-N 3.23Å; N387-I406 HydrophobicContact CB-CG2 3.92Å; N387-I406 WeakPolarHBondContact O-CG2 3.23Å; N387-Q410 HydrophobicContact CB-CG 3.79Å; N387-Q410 PolarHBondContact ND2-NE2 3.06Å |
| 388 | Y | 98.2 | Very high | 95.9 | Very high | 17 Ų | 17 | 37.1 Ų | 37.1 | 7% | 0.067 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -59 | -48.2 | 171.3 | -169.6 | -94.8 | 0 | 0 | 0 | 112.1 | P333 V384 W385 L386 L390 A391 Q392 D419 F420 L423 | P333-Y388 HydrophobicContact CB-CE1 3.9Å; V384-Y388 PolarHBondContact O-N 3Å; W385-Y388 AromaticContact CE3-CD1 3.97Å; W385-Y388 HydrophobicContact CE3-CD1 3.97Å; W385-Y388 AromaticContact CE3-CG 3.9Å; W385-Y388 HydrophobicContact CE3-CG 3.9Å; W385-Y388 AromaticContact CZ3-CD1 3.96Å; W385-Y388 HydrophobicContact CZ3-CD1 3.96Å; W385-Y388 HydrophobicContact CZ3-CD2 4.26Å; W385-Y388 HydrophobicContact CZ3-CE1 4.24Å; W385-Y388 AromaticContact CZ3-CG 3.96Å; W385-Y388 HydrophobicContact CZ3-CG 3.96Å; L386-Y388 VanDerWaalsContact C-N 3.34Å; Y388-L390 PolarHBondContact O-N 3.15Å; Y388-A391 PolarHBondContact O-N 3.34Å; Y388-Q392 HydrophobicContact CD1-CG 4.33Å; Y388-Q392 VanDerWaalsContact CE1-CD 3.4Å; Y388-Q392 HydrophobicContact CE1-CG 4.1Å; Y388-Q392 VanDerWaalsContact CE1-NE2 3.26Å; Y388-Q392 WeakPolarHBondContact O-CG 3.34Å; Y388-Q392 PolarHBondContact O-N 2.96Å; Y388-D419 HydrophobicContact CD2-CB 4.35Å; Y388-D419 HydrophobicContact CE2-CB 3.69Å; Y388-D419 WeakPolarHBondContact CE2-O 3.38Å; Y388-F420 AromaticContact CD2-CD1 3.85Å; Y388-F420 HydrophobicContact CD2-CD1 3.85Å; Y388-F420 AromaticContact CD2-CE1 3.7Å; Y388-F420 HydrophobicContact CD2-CE1 3.7Å; Y388-F420 HydrophobicContact CD2-CG 4.47Å; Y388-F420 HydrophobicContact CD2-CZ 4.2Å; Y388-F420 HydrophobicContact CE2-CD1 4.48Å; Y388-F420 HydrophobicContact CG-CE1 4.36Å; Y388-L423 HydrophobicContact CD2-CD2 3.79Å; Y388-L423 HydrophobicContact CE2-CB 3.8Å; Y388-L423 HydrophobicContact CE2-CD2 3.61Å; Y388-L423 HydrophobicContact CE2-CG 4.3Å; Y388-L423 HydrophobicContact CG-CD2 4.32Å |
| 389 | L | 98.2 | Very high | 96.2 | Very high | 3 Ų | 3 | 39.7 Ų | 39.7 | 2% | 0.016 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -62.6 | -39.8 | 176.4 | -177.9 | 62.2 | 0 | 0 | 0 | 112.3 | L324 I328 L335 F336 F352 L356 W385 L386 Q392 Y393 | L324-L389 HydrophobicContact CD2-CD2 4.25Å; I328-L389 HydrophobicContact CD1-CD2 4.01Å; I328-L389 HydrophobicContact CG1-CD2 4.2Å; L335-L389 HydrophobicContact CD2-CD2 4.06Å; F336-L389 HydrophobicContact CB-CD1 3.78Å; F336-L389 HydrophobicContact CD2-CD1 3.94Å; F336-L389 HydrophobicContact CG-CD1 4.34Å; F352-L389 HydrophobicContact CE2-CD2 4.49Å; F352-L389 HydrophobicContact CZ-CD1 4.03Å; F352-L389 HydrophobicContact CZ-CD2 4.33Å; F352-L389 HydrophobicContact CZ-CG 4.2Å; L356-L389 HydrophobicContact CD2-CD2 3.64Å; L356-L389 HydrophobicContact CD2-CG 4.01Å; W385-L389 PolarHBondContact O-N 3.4Å; L386-L389 PolarHBondContact O-N 3.04Å; L389-Q392 PolarHBondContact O-N 2.85Å; L389-Y393 WeakPolarHBondContact O-CB 3.34Å; L389-Y393 PolarHBondContact O-N 3.35Å |
| 390 | L | 98.1 | Very high | 96.5 | Very high | 4 Ų | 4 | 39.2 Ų | 39.2 | 2% | 0.021 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -61.6 | -45.1 | 174.4 | -80.3 | 162.8 | 0 | 0 | 0 | 111.6 | L356 R360 L386 N387 Y388 Y393 Y394 I406 | L356-L390 HydrophobicContact CB-CD2 3.93Å; L356-L390 HydrophobicContact CD1-CD2 4.11Å; L356-L390 HydrophobicContact CG-CD2 4.49Å; R360-L390 HydrophobicContact CB-CD1 4.4Å; R360-L390 HydrophobicContact CG-CD1 4.32Å; L386-L390 HydrophobicContact CD1-CD1 4.47Å; L386-L390 HydrophobicContact CG-CD1 4.18Å; L386-L390 WeakPolarHBondContact O-CG 3.45Å; L386-L390 PolarHBondContact O-N 2.93Å; N387-L390 PolarHBondContact O-N 3.33Å; Y388-L390 PolarHBondContact O-N 3.15Å; L390-Y393 WeakPolarHBondContact O-CB 3.35Å; L390-Y393 PolarHBondContact O-N 2.93Å; L390-Y394 HydrophobicContact CB-CE2 4.48Å; L390-Y394 HydrophobicContact CD2-CE2 4.27Å; L390-Y394 WeakPolarHBondContact O-CD2 3.47Å; L390-Y394 PolarHBondContact O-N 2.8Å; L390-I406 HydrophobicContact CB-CD1 4.12Å |
| 391 | A | 98.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -63.5 | -42.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112 | N387 Y388 Y393 Y394 N395 I406 I407 L423 | N387-A391 WeakPolarHBondContact O-CB 3.44Å; N387-A391 PolarHBondContact O-N 3.23Å; Y388-A391 PolarHBondContact O-N 3.34Å; A391-Y393 VanDerWaalsContact C-N 3.29Å; A391-Y393 PolarHBondContact O-N 2.83Å; A391-Y394 PolarHBondContact O-N 2.87Å; A391-N395 WeakPolarHBondContact O-CB 3.13Å; A391-N395 PolarHBondContact O-N 3.14Å; A391-I406 HydrophobicContact CB-CB 4.4Å; A391-I406 HydrophobicContact CB-CG2 4.11Å; A391-I407 HydrophobicContact CB-CD1 4.21Å; A391-I407 HydrophobicContact CB-CG1 3.79Å; A391-L423 HydrophobicContact CB-CD2 3.66Å |
| 392 | Q | 98.2 | Very high | 97.1 | Very high | 19 Ų | 19 | 38.1 Ų | 38.1 | 9% | 0.089 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -58.8 | -41.1 | 172.6 | -70.9 | 178.3 | -46.6 | 0 | 0 | 112 | P333 F336 Y388 L389 N395 F396 L423 | P333-Q392 PolarHBondContact O-NE2 3.4Å; F336-Q392 HydrophobicContact CB-CB 4.02Å; F336-Q392 HydrophobicContact CB-CG 4.43Å; F336-Q392 HydrophobicContact CD1-CB 3.88Å; F336-Q392 HydrophobicContact CD2-CB 4.24Å; F336-Q392 HydrophobicContact CE1-CB 4.44Å; F336-Q392 HydrophobicContact CG-CB 3.77Å; Y388-Q392 HydrophobicContact CD1-CG 4.33Å; Y388-Q392 VanDerWaalsContact CE1-CD 3.4Å; Y388-Q392 HydrophobicContact CE1-CG 4.1Å; Y388-Q392 VanDerWaalsContact CE1-NE2 3.26Å; Y388-Q392 WeakPolarHBondContact O-CG 3.34Å; Y388-Q392 PolarHBondContact O-N 2.96Å; L389-Q392 PolarHBondContact O-N 2.85Å; Q392-N395 PolarHBondContact O-N 3.5Å; Q392-F396 PolarHBondContact O-N 2.83Å; Q392-L423 HydrophobicContact CG-CD1 3.74Å; Q392-L423 HydrophobicContact CG-CD2 3.93Å |
| 393 | Y | 97.5 | Very high | 97.2 | Very high | 5 Ų | 5 | 38 Ų | 38 | 2% | 0.02 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -64.1 | -46.9 | 176.3 | 165 | -104.6 | 0 | 0 | 0 | 113 | L349 F352 E353 L356 L389 L390 A391 N395 F396 K397 | L349-Y393 HydrophobicContact CD1-CE2 3.89Å; F352-Y393 AromaticContact CD1-CD2 3.91Å; F352-Y393 HydrophobicContact CD1-CD2 3.91Å; F352-Y393 HydrophobicContact CD1-CE2 4.3Å; F352-Y393 AromaticContact CE1-CD2 3.75Å; F352-Y393 HydrophobicContact CE1-CD2 3.75Å; F352-Y393 HydrophobicContact CE1-CG 4.17Å; E353-Y393 HydrophobicContact CB-CE2 4.49Å; E353-Y393 WeakPolarHBondContact CG-OH 3.25Å; E353-Y393 PolarHBondContact OE1-OH 2.95Å; E353-Y393 PolarHBondContact OE2-OH 3.28Å; L356-Y393 HydrophobicContact CD1-CD1 3.99Å; L356-Y393 HydrophobicContact CD1-CD2 4.29Å; L356-Y393 HydrophobicContact CD1-CG 3.76Å; L389-Y393 WeakPolarHBondContact O-CB 3.34Å; L389-Y393 PolarHBondContact O-N 3.35Å; L390-Y393 WeakPolarHBondContact O-CB 3.35Å; L390-Y393 PolarHBondContact O-N 2.93Å; A391-Y393 VanDerWaalsContact C-N 3.29Å; A391-Y393 PolarHBondContact O-N 2.83Å; Y393-N395 VanDerWaalsContact C-N 3.31Å; Y393-N395 PolarHBondContact O-N 2.77Å; Y393-F396 WeakPolarHBondContact O-CB 3.22Å; Y393-F396 PolarHBondContact O-N 2.88Å; Y393-K397 HydrophobicContact CD2-CG 4.38Å; Y393-K397 HydrophobicContact CE1-CG 4.38Å; Y393-K397 HydrophobicContact CE2-CD 4.36Å; Y393-K397 HydrophobicContact CE2-CG 3.81Å; Y393-K397 PolarHBondContact O-N 3.45Å; Y393-K397 WeakPolarHBondContact OH-CE 3.17Å |
| 394 | Y | 98.1 | Very high | 97.4 | Very high | 46 Ų | 46 | 35.7 Ų | 35.7 | 18% | 0.18 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -64.1 | -38 | 177.3 | -76.3 | -65.7 | 0 | 0 | 0 | 111.7 | L390 A391 F396 K397 K398 K399 E402 I406 | L390-Y394 HydrophobicContact CB-CE2 4.48Å; L390-Y394 HydrophobicContact CD2-CE2 4.27Å; L390-Y394 WeakPolarHBondContact O-CD2 3.47Å; L390-Y394 PolarHBondContact O-N 2.8Å; A391-Y394 PolarHBondContact O-N 2.87Å; Y394-F396 PolarHBondContact O-N 2.83Å; Y394-K397 CarbonylContact O-C 3.53Å; Y394-K397 PolarHBondContact O-N 3.23Å; Y394-K398 PolarHBondContact O-N 3.1Å; Y394-K399 HydrophobicContact CD1-CB 4.07Å; Y394-K399 HydrophobicContact CD1-CD 3.98Å; Y394-K399 HydrophobicContact CE1-CD 4.39Å; Y394-K399 WeakPolarHBondContact O-CB 3.47Å; Y394-K399 PolarHBondContact O-N 3.27Å; Y394-E402 HydrophobicContact CD1-CB 4.06Å; Y394-E402 HydrophobicContact CE1-CB 4.46Å; Y394-E402 HydrophobicContact CG-CB 4.14Å; Y394-I406 HydrophobicContact CD2-CD1 3.45Å; Y394-I406 VanDerWaalsContact CD2-CD1 3.45Å; Y394-I406 HydrophobicContact CE2-CD1 3.45Å; Y394-I406 VanDerWaalsContact CE2-CD1 3.45Å |
| 395 | N | 97.8 | Very high | 97.5 | Very high | 16 Ų | 16 | 40.1 Ų | 40.1 | 9% | 0.086 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -58.9 | -47.5 | 172.1 | -171.8 | 40.1 | 0 | 0 | 0 | 111.9 | A391 Q392 Y393 K397 K398 Y400 A403 V427 D430 | A391-N395 WeakPolarHBondContact O-CB 3.13Å; A391-N395 PolarHBondContact O-N 3.14Å; Q392-N395 PolarHBondContact O-N 3.5Å; Y393-N395 VanDerWaalsContact C-N 3.31Å; Y393-N395 PolarHBondContact O-N 2.77Å; N395-K397 VanDerWaalsContact C-N 3.27Å; N395-K397 PolarHBondContact O-N 3.44Å; N395-K398 WeakPolarHBondContact O-CA 3.43Å; N395-K398 PolarHBondContact O-N 2.86Å; N395-Y400 WeakPolarHBondContact OD1-CD1 3.18Å; N395-A403 HydrophobicContact CB-CB 4.44Å; N395-V427 HydrophobicContact CB-CG2 3.96Å; N395-D430 PolarHBondContact ND2-OD2 3Å |
| 396 | F | 96 | Very high | 97.6 | Very high | 65 Ų | 65 | 38.8 Ų | 38.8 | 29% | 0.285 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -59.3 | -35.8 | 175.9 | 175.5 | -98.2 | 0 | 0 | 0 | 113.1 | F336 V340 L343 L349 Q392 Y393 Y394 K398 | F336-F396 HydrophobicContact CE1-CB 3.87Å; F336-F396 HydrophobicContact CE1-CD2 4.34Å; F336-F396 HydrophobicContact CE1-CG 4.26Å; F336-F396 HydrophobicContact CZ-CB 3.44Å; F336-F396 VanDerWaalsContact CZ-CB 3.44Å; F336-F396 HydrophobicContact CZ-CD1 4.27Å; F336-F396 HydrophobicContact CZ-CD2 4.12Å; F336-F396 AromaticContact CZ-CG 3.7Å; F336-F396 HydrophobicContact CZ-CG 3.7Å; V340-F396 HydrophobicContact CG1-CE2 4.06Å; L343-F396 HydrophobicContact CB-CE1 4.18Å; L343-F396 HydrophobicContact CB-CZ 4.22Å; L349-F396 HydrophobicContact CD1-CD1 4.39Å; L349-F396 HydrophobicContact CD1-CE1 4Å; L349-F396 HydrophobicContact CD2-CE1 4.4Å; Q392-F396 PolarHBondContact O-N 2.83Å; Y393-F396 WeakPolarHBondContact O-CB 3.22Å; Y393-F396 PolarHBondContact O-N 2.88Å; Y394-F396 PolarHBondContact O-N 2.83Å; F396-K398 PolarHBondContact O-N 3.05Å |
| 397 | K | 94.7 | Very high | 97.6 | Very high | 74 Ų | 74 | 38.7 Ų | 38.7 | 32% | 0.322 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | 0.7 | 172.7 | -73.1 | -72 | -159.7 | 171 | 0 | 113.8 | L349 Y393 Y394 N395 K399 | L349-K397 HydrophobicContact CD2-CD 4.32Å; Y393-K397 HydrophobicContact CD2-CG 4.38Å; Y393-K397 HydrophobicContact CE1-CG 4.38Å; Y393-K397 HydrophobicContact CE2-CD 4.36Å; Y393-K397 HydrophobicContact CE2-CG 3.81Å; Y393-K397 PolarHBondContact O-N 3.45Å; Y393-K397 WeakPolarHBondContact OH-CE 3.17Å; Y394-K397 CarbonylContact O-C 3.53Å; Y394-K397 PolarHBondContact O-N 3.23Å; N395-K397 VanDerWaalsContact C-N 3.27Å; N395-K397 PolarHBondContact O-N 3.44Å; K397-K399 HydrophobicContact CB-CD 4.41Å; K397-K399 HydrophobicContact CB-CG 4.27Å; K397-K399 PolarHBondContact O-N 3.07Å |
| 398 | K | 94.8 | Very high | 97.6 | Very high | 121 Ų | 121 | 40.9 Ų | 40.9 | 53% | 0.526 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60.2 | 26.4 | -174 | -52.1 | -178 | -178.7 | -179.2 | 0 | 113.6 | Y394 N395 F396 Y400 | Y394-K398 PolarHBondContact O-N 3.1Å; N395-K398 WeakPolarHBondContact O-CA 3.43Å; N395-K398 PolarHBondContact O-N 2.86Å; F396-K398 PolarHBondContact O-N 3.05Å; K398-Y400 VanDerWaalsContact C-N 3.33Å; K398-Y400 HydrophobicContact CB-CE1 4.21Å; K398-Y400 HydrophobicContact CB-CE2 4.23Å; K398-Y400 PolarHBondContact O-N 3.27Å |
| 399 | K | 96.5 | Very high | 97.6 | Very high | 95 Ų | 95 | 42.8 Ų | 42.8 | 41% | 0.413 | 20% | 0.201 | S | C | . | . | trans | -94.7 | 67 | 174.9 | -75.5 | -174 | 171.5 | -165 | 0 | 108.9 | Y394 K397 Q401 E402 A403 | Y394-K399 HydrophobicContact CD1-CB 4.07Å; Y394-K399 HydrophobicContact CD1-CD 3.98Å; Y394-K399 HydrophobicContact CE1-CD 4.39Å; Y394-K399 WeakPolarHBondContact O-CB 3.47Å; Y394-K399 PolarHBondContact O-N 3.27Å; K397-K399 HydrophobicContact CB-CD 4.41Å; K397-K399 HydrophobicContact CB-CG 4.27Å; K397-K399 PolarHBondContact O-N 3.07Å; K399-Q401 PolarHBondContact O-N 2.81Å; K399-E402 HydrophobicContact CB-CB 4.42Å; K399-E402 WeakPolarHBondContact CB-OE2 3.41Å; K399-E402 WeakPolarHBondContact CD-OE1 3.37Å; K399-E402 PolarHBondContact O-N 2.86Å; K399-A403 PolarHBondContact O-N 3.26Å; K399-A403 VanDerWaalsContact O-N 3.13Å | ||
| 400 | Y | 98 | Very high | 97.5 | Very high | 39 Ų | 39 | 43.4 Ų | 43.4 | 15% | 0.153 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -64.8 | -39.1 | -167.6 | -53.2 | -55.7 | 0 | 0 | 0 | 112.4 | N395 K398 A403 I404 V427 D430 A431 M858 | N395-Y400 WeakPolarHBondContact OD1-CD1 3.18Å; K398-Y400 VanDerWaalsContact C-N 3.33Å; K398-Y400 HydrophobicContact CB-CE1 4.21Å; K398-Y400 HydrophobicContact CB-CE2 4.23Å; K398-Y400 PolarHBondContact O-N 3.27Å; Y400-A403 PolarHBondContact O-N 3.02Å; Y400-I404 WeakPolarHBondContact O-CD1 3.5Å; Y400-I404 VanDerWaalsContact O-CG1 3.28Å; Y400-I404 WeakPolarHBondContact O-CG1 3.25Å; Y400-I404 PolarHBondContact O-N 2.95Å; Y400-V427 HydrophobicContact CD1-CG1 4Å; Y400-V427 HydrophobicContact CG-CG1 4.35Å; Y400-D430 HydrophobicContact CE1-CB 4.12Å; Y400-D430 PolarHBondContact OH-O 2.84Å; Y400-A431 HydrophobicContact CD1-CB 4.12Å; Y400-A431 HydrophobicContact CD2-CB 3.56Å; Y400-A431 HydrophobicContact CE1-CB 4.3Å; Y400-A431 HydrophobicContact CE2-CB 3.75Å; Y400-A431 HydrophobicContact CG-CB 3.75Å; Y400-M858 HydrophobicContact CD2-SD 4.45Å |
| 401 | Q | 97.9 | Very high | 97.3 | Very high | 90 Ų | 90 | 44 Ų | 44 | 42% | 0.421 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -65.4 | -44.6 | -179.4 | -176.1 | 57.2 | 36.1 | 0 | 0 | 111.4 | K399 A403 I404 E405 | K399-Q401 PolarHBondContact O-N 2.81Å; Q401-A403 VanDerWaalsContact C-N 3.3Å; Q401-A403 PolarHBondContact O-N 2.68Å; Q401-I404 PolarHBondContact O-N 3.49Å; Q401-E405 WeakPolarHBondContact CG-OE1 3.18Å; Q401-E405 PolarHBondContact NE2-OE1 3.29Å; Q401-E405 WeakPolarHBondContact O-CG 3.36Å; Q401-E405 PolarHBondContact O-N 3.33Å |
| 402 | E | 98 | Very high | 97.1 | Very high | 72 Ų | 72 | 51.3 Ų | 51.3 | 34% | 0.336 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -64 | -36.2 | 176.6 | -61.3 | 97 | 130.1 | 0 | 0 | 112.1 | Y394 K399 I406 | Y394-E402 HydrophobicContact CD1-CB 4.06Å; Y394-E402 HydrophobicContact CE1-CB 4.46Å; Y394-E402 HydrophobicContact CG-CB 4.14Å; K399-E402 HydrophobicContact CB-CB 4.42Å; K399-E402 WeakPolarHBondContact CB-OE2 3.41Å; K399-E402 WeakPolarHBondContact CD-OE1 3.37Å; K399-E402 PolarHBondContact O-N 2.86Å; E402-I406 WeakPolarHBondContact O-CG1 3.42Å; E402-I406 PolarHBondContact O-N 3.44Å |
| 403 | A | 98.5 | Very high | 96.8 | Very high | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -64.6 | -46.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | N395 K399 Y400 Q401 E405 I406 I407 V427 | N395-A403 HydrophobicContact CB-CB 4.44Å; K399-A403 PolarHBondContact O-N 3.26Å; K399-A403 VanDerWaalsContact O-N 3.13Å; Y400-A403 PolarHBondContact O-N 3.02Å; Q401-A403 VanDerWaalsContact C-N 3.3Å; Q401-A403 PolarHBondContact O-N 2.68Å; A403-E405 PolarHBondContact O-N 2.76Å; A403-I406 PolarHBondContact O-N 3.3Å; A403-I407 WeakPolarHBondContact O-CD1 3.46Å; A403-I407 WeakPolarHBondContact O-CG1 3.24Å; A403-I407 PolarHBondContact O-N 3.07Å; A403-V427 HydrophobicContact CB-CG1 4.17Å; A403-V427 HydrophobicContact CB-CG2 3.94Å |
| 404 | I | 98.6 | Very high | 96.6 | Very high | 10 Ų | 10 | 55.5 Ų | 55.5 | 5% | 0.051 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -61.2 | -43.4 | 178.4 | -70.5 | 161.1 | 0 | 0 | 0 | 111.3 | Y400 Q401 I406 I407 D408 V427 F428 M858 | Y400-I404 WeakPolarHBondContact O-CD1 3.5Å; Y400-I404 VanDerWaalsContact O-CG1 3.28Å; Y400-I404 WeakPolarHBondContact O-CG1 3.25Å; Y400-I404 PolarHBondContact O-N 2.95Å; Q401-I404 PolarHBondContact O-N 3.49Å; I404-I406 VanDerWaalsContact C-N 3.34Å; I404-I406 PolarHBondContact O-N 3.31Å; I404-I407 PolarHBondContact O-N 3.47Å; I404-D408 WeakPolarHBondContact CG2-OD2 3.46Å; I404-D408 WeakPolarHBondContact O-CB 3.29Å; I404-D408 PolarHBondContact O-N 3.45Å; I404-V427 HydrophobicContact CD1-CG1 4.1Å; I404-V427 HydrophobicContact CG1-CB 4.45Å; I404-V427 HydrophobicContact CG1-CG1 3.85Å; I404-F428 HydrophobicContact CD1-CE1 3.96Å; I404-F428 HydrophobicContact CD1-CE2 3.92Å; I404-F428 HydrophobicContact CD1-CZ 3.62Å; I404-F428 HydrophobicContact CG1-CE2 4.26Å; I404-F428 HydrophobicContact CG1-CZ 4.39Å; I404-M858 HydrophobicContact CD1-CE 4.14Å |
| 405 | E | 98.5 | Very high | 96.3 | Very high | 110 Ų | 110 | 56.6 Ų | 56.6 | 51% | 0.514 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -61.6 | -41.2 | 179.2 | -75.6 | 170.4 | -168.7 | 0 | 0 | 112.6 | Q401 A403 S409 | Q401-E405 WeakPolarHBondContact CG-OE1 3.18Å; Q401-E405 PolarHBondContact NE2-OE1 3.29Å; Q401-E405 WeakPolarHBondContact O-CG 3.36Å; Q401-E405 PolarHBondContact O-N 3.33Å; A403-E405 PolarHBondContact O-N 2.76Å; E405-S409 WeakPolarHBondContact O-CB 3.46Å; E405-S409 PolarHBondContact O-N 3.09Å |
| 406 | I | 98 | Very high | 95.9 | Very high | 12 Ų | 12 | 61.2 Ų | 61.2 | 6% | 0.062 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -62.5 | -49.4 | 173.8 | -68.4 | 170.5 | 0 | 0 | 0 | 109.5 | N387 L390 A391 Y394 E402 A403 I404 D408 S409 Q410 | N387-I406 HydrophobicContact CB-CG2 3.92Å; N387-I406 WeakPolarHBondContact O-CG2 3.23Å; L390-I406 HydrophobicContact CB-CD1 4.12Å; A391-I406 HydrophobicContact CB-CB 4.4Å; A391-I406 HydrophobicContact CB-CG2 4.11Å; Y394-I406 HydrophobicContact CD2-CD1 3.45Å; Y394-I406 VanDerWaalsContact CD2-CD1 3.45Å; Y394-I406 HydrophobicContact CE2-CD1 3.45Å; Y394-I406 VanDerWaalsContact CE2-CD1 3.45Å; E402-I406 WeakPolarHBondContact O-CG1 3.42Å; E402-I406 PolarHBondContact O-N 3.44Å; A403-I406 PolarHBondContact O-N 3.3Å; I404-I406 VanDerWaalsContact C-N 3.34Å; I404-I406 PolarHBondContact O-N 3.31Å; I406-D408 VanDerWaalsContact C-N 3.35Å; I406-D408 PolarHBondContact O-N 3.2Å; I406-S409 PolarHBondContact O-N 2.88Å; I406-S409 PolarHBondContact O-OG 3.06Å; I406-Q410 WeakPolarHBondContact O-CG 3.29Å; I406-Q410 PolarHBondContact O-N 3.36Å; I406-Q410 VanDerWaalsContact O-N 3.11Å |
| 407 | I | 98.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -59.3 | -46.5 | -179 | -65.1 | 162.5 | 0 | 0 | 0 | 111 | A391 A403 I404 S409 Q410 L411 F420 L423 K424 V427 | A391-I407 HydrophobicContact CB-CD1 4.21Å; A391-I407 HydrophobicContact CB-CG1 3.79Å; A403-I407 WeakPolarHBondContact O-CD1 3.46Å; A403-I407 WeakPolarHBondContact O-CG1 3.24Å; A403-I407 PolarHBondContact O-N 3.07Å; I404-I407 PolarHBondContact O-N 3.47Å; I407-S409 VanDerWaalsContact C-N 3.34Å; I407-S409 PolarHBondContact O-N 3.18Å; I407-Q410 CarbonylContact O-C 3.56Å; I407-Q410 PolarHBondContact O-N 3.09Å; I407-Q410 VanDerWaalsContact O-N 3.09Å; I407-L411 HydrophobicContact CG2-CD1 3.85Å; I407-L411 HydrophobicContact CG2-CG 4.13Å; I407-L411 WeakPolarHBondContact O-CG 3.44Å; I407-L411 PolarHBondContact O-N 3.4Å; I407-F420 HydrophobicContact CB-CD1 4.33Å; I407-F420 HydrophobicContact CG1-CD1 4.09Å; I407-F420 HydrophobicContact CG2-CB 4Å; I407-F420 HydrophobicContact CG2-CD1 4Å; I407-F420 HydrophobicContact CG2-CG 4.35Å; I407-F420 WeakPolarHBondContact CG2-O 3.34Å; I407-L423 HydrophobicContact CD1-CB 4.43Å; I407-L423 HydrophobicContact CD1-CD2 4.14Å; I407-L423 HydrophobicContact CD1-CG 3.86Å; I407-L423 HydrophobicContact CG1-CD2 4.27Å; I407-L423 HydrophobicContact CG1-CG 4.48Å; I407-K424 HydrophobicContact CD1-CB 4.36Å; I407-K424 HydrophobicContact CG2-CB 3.98Å; I407-K424 HydrophobicContact CG2-CD 4.21Å; I407-K424 HydrophobicContact CG2-CG 4.35Å; I407-V427 HydrophobicContact CD1-CG2 3.94Å |
| 408 | D | 97.8 | Very high | 95.8 | Very high | 60 Ų | 60 | 57.6 Ų | 57.6 | 32% | 0.321 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -64.3 | -38.8 | -179.9 | -76.5 | -16.7 | 0 | 0 | 0 | 112.2 | I404 I406 Q410 L411 L412 K424 | I404-D408 WeakPolarHBondContact CG2-OD2 3.46Å; I404-D408 WeakPolarHBondContact O-CB 3.29Å; I404-D408 PolarHBondContact O-N 3.45Å; I406-D408 VanDerWaalsContact C-N 3.35Å; I406-D408 PolarHBondContact O-N 3.2Å; D408-Q410 PolarHBondContact O-N 3.47Å; D408-L411 PolarHBondContact O-N 2.92Å; D408-L412 WeakPolarHBondContact O-CG 3.36Å; D408-L412 PolarHBondContact O-N 3.43Å; D408-L412 VanDerWaalsContact O-N 3.16Å; D408-K424 VanDerWaalsContact CG-NZ 3.34Å; D408-K424 WeakPolarHBondContact OD1-CE 3.44Å; D408-K424 IonicContact OD1-NZ 3.98Å; D408-K424 PolarHBondContact OD1-NZ 3.03Å; D408-K424 IonicContact OD2-NZ 3.98Å; D408-K424 PolarHBondContact OD2-NZ 3.43Å |
| 409 | S | 97 | Very high | 95.8 | Very high | 57 Ų | 57 | 54.1 Ų | 54.1 | 40% | 0.399 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -60.9 | -35.7 | 173.5 | 78.7 | 0 | 0 | 0 | 0 | 112.6 | E405 I406 I407 | E405-S409 WeakPolarHBondContact O-CB 3.46Å; E405-S409 PolarHBondContact O-N 3.09Å; I406-S409 PolarHBondContact O-N 2.88Å; I406-S409 PolarHBondContact O-OG 3.06Å; I407-S409 VanDerWaalsContact C-N 3.34Å; I407-S409 PolarHBondContact O-N 3.18Å |
| 410 | Q | 96.5 | Very high | 95.9 | Very high | 16 Ų | 16 | 49.6 Ų | 49.6 | 8% | 0.075 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -80.2 | -35.9 | 178.7 | -61.9 | -60.5 | -62.4 | 0 | 0 | 112 | N387 I406 I407 D408 L412 S413 T414 F420 | N387-Q410 HydrophobicContact CB-CG 3.79Å; N387-Q410 PolarHBondContact ND2-NE2 3.06Å; I406-Q410 WeakPolarHBondContact O-CG 3.29Å; I406-Q410 PolarHBondContact O-N 3.36Å; I406-Q410 VanDerWaalsContact O-N 3.11Å; I407-Q410 CarbonylContact O-C 3.56Å; I407-Q410 PolarHBondContact O-N 3.09Å; I407-Q410 VanDerWaalsContact O-N 3.09Å; D408-Q410 PolarHBondContact O-N 3.47Å; Q410-L412 PolarHBondContact O-N 3.22Å; Q410-S413 PolarHBondContact O-N 3.45Å; Q410-S413 VanDerWaalsContact O-N 3.08Å; Q410-S413 PolarHBondContact O-OG 3.45Å; Q410-T414 PolarHBondContact O-N 2.99Å; Q410-T414 PolarHBondContact O-OG1 3.08Å; Q410-F420 HydrophobicContact CB-CD1 4.39Å; Q410-F420 HydrophobicContact CB-CD2 3.89Å; Q410-F420 HydrophobicContact CB-CE1 3.95Å; Q410-F420 HydrophobicContact CB-CE2 3.38Å; Q410-F420 HydrophobicContact CB-CG 4.38Å; Q410-F420 HydrophobicContact CB-CZ 3.45Å; Q410-F420 VanDerWaalsContact CB-CZ 3.45Å; Q410-F420 HydrophobicContact CG-CE1 4.03Å; Q410-F420 HydrophobicContact CG-CE2 3.97Å; Q410-F420 HydrophobicContact CG-CZ 3.53Å |
| 411 | L | 95 | Very high | 95.8 | Very high | 16 Ų | 16 | 49.3 Ų | 49.3 | 8% | 0.084 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -64.2 | -27.3 | 175.1 | -73.6 | 178.1 | 0 | 0 | 0 | 112.6 | I407 D408 S413 P415 F420 Y421 K424 | I407-L411 HydrophobicContact CG2-CD1 3.85Å; I407-L411 HydrophobicContact CG2-CG 4.13Å; I407-L411 WeakPolarHBondContact O-CG 3.44Å; I407-L411 PolarHBondContact O-N 3.4Å; D408-L411 PolarHBondContact O-N 2.92Å; L411-S413 VanDerWaalsContact C-N 3.35Å; L411-P415 WeakPolarHBondContact O-CA 3.26Å; L411-P415 WeakPolarHBondContact O-CB 3.47Å; L411-F420 HydrophobicContact CD2-CB 3.49Å; L411-F420 VanDerWaalsContact CD2-CB 3.49Å; L411-F420 HydrophobicContact CD2-CG 4.41Å; L411-F420 HydrophobicContact CG-CB 3.92Å; L411-Y421 HydrophobicContact CD1-CD1 4.4Å; L411-Y421 HydrophobicContact CD1-CE1 4.22Å; L411-Y421 HydrophobicContact CD2-CD2 3.67Å; L411-Y421 HydrophobicContact CD2-CE1 4.32Å; L411-Y421 HydrophobicContact CD2-CE2 3.28Å; L411-Y421 HydrophobicContact CD2-CG 4.33Å; L411-K424 HydrophobicContact CD1-CD 4.31Å |
| 412 | L | 94.2 | Very high | 95.8 | Very high | 154 Ų | 154 | 45.7 Ų | 45.7 | 81% | 0.806 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -65.7 | -35.4 | 171.7 | -72.1 | 172.5 | 0 | 0 | 0 | 113 | D408 Q410 | D408-L412 WeakPolarHBondContact O-CG 3.36Å; D408-L412 PolarHBondContact O-N 3.43Å; D408-L412 VanDerWaalsContact O-N 3.16Å; Q410-L412 PolarHBondContact O-N 3.22Å |
| 413 | S | 92 | Very high | 95.8 | Very high | 78 Ų | 78 | 42.5 Ų | 42.5 | 55% | 0.545 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -93.1 | -29.8 | -179.3 | 59.7 | 0 | 0 | 0 | 0 | 113.1 | Q410 L411 | Q410-S413 PolarHBondContact O-N 3.45Å; Q410-S413 VanDerWaalsContact O-N 3.08Å; Q410-S413 PolarHBondContact O-OG 3.45Å; L411-S413 VanDerWaalsContact C-N 3.35Å |
| 414 | T | 92.1 | Very high | 95.8 | Very high | 34 Ų | 34 | 43 Ų | 43 | 21% | 0.209 | 24% | 0.243 | C | C | . | . | trans | -129.1 | 66.4 | -179.3 | 63.5 | 0 | 0 | 0 | 0 | 111.5 | V384 Q410 T416 L417 | V384-T414 HydrophobicContact CG2-CG2 4.07Å; Q410-T414 PolarHBondContact O-N 2.99Å; Q410-T414 PolarHBondContact O-OG1 3.08Å; T414-T416 PolarHBondContact O-N 2.98Å; T414-T416 VanDerWaalsContact O-N 3.12Å; T414-L417 PolarHBondContact O-N 2.97Å | ||
| 415 | P | 91.2 | Very high | 95.8 | Very high | 70 Ų | 70 | 42.5 Ų | 42.5 | 46% | 0.455 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -11.5 | -172.7 | 27.3 | -36.5 | 0 | 0 | 0 | 114.6 | L411 Y421 | L411-P415 WeakPolarHBondContact O-CA 3.26Å; L411-P415 WeakPolarHBondContact O-CB 3.47Å; P415-Y421 WeakPolarHBondContact O-CE2 3.47Å; P415-Y421 PolarHBondContact O-OH 2.82Å |
| 416 | T | 91.2 | Very high | 95.8 | Very high | 113 Ų | 113 | 39 Ų | 39 | 69% | 0.693 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -102.4 | -0.9 | 179.1 | 55 | 0 | 0 | 0 | 0 | 113.2 | T414 V418 | T414-T416 PolarHBondContact O-N 2.98Å; T414-T416 VanDerWaalsContact O-N 3.12Å; T416-V418 PolarHBondContact O-N 3.06Å; T416-V418 VanDerWaalsContact O-N 3.12Å |
| 417 | L | 93.1 | Very high | 95.8 | Very high | 39 Ų | 39 | 38.4 Ų | 38.4 | 20% | 0.204 | 22% | 0.222 | C | C | . | . | trans | -80.2 | 97.5 | -179.7 | -174.3 | 59.3 | 0 | 0 | 0 | 110.4 | V384 T414 D419 F420 | V384-L417 HydrophobicContact CG1-CD2 3.57Å; T414-L417 PolarHBondContact O-N 2.97Å; L417-D419 WeakPolarHBondContact CD1-OD2 3.41Å; L417-D419 HydrophobicContact CG-CB 4.41Å; L417-D419 PolarHBondContact O-N 3.32Å; L417-F420 HydrophobicContact CB-CD2 4.36Å; L417-F420 HydrophobicContact CD2-CD2 3.72Å; L417-F420 HydrophobicContact CD2-CE2 3.72Å; L417-F420 HydrophobicContact CG-CD2 4.19Å; L417-F420 PolarHBondContact O-N 3.37Å | ||
| 418 | V | 94.5 | Very high | 95.8 | Very high | 23 Ų | 23 | 39.7 Ų | 39.7 | 14% | 0.139 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -55.7 | -34.9 | -174.3 | -173.7 | 0 | 0 | 0 | 0 | 112.9 | T416 F420 Y421 V422 A444 L447 D448 I454 | T416-V418 PolarHBondContact O-N 3.06Å; T416-V418 VanDerWaalsContact O-N 3.12Å; V418-F420 PolarHBondContact O-N 3.45Å; V418-F420 VanDerWaalsContact O-N 3.17Å; V418-Y421 WeakPolarHBondContact O-CB 3.4Å; V418-Y421 PolarHBondContact O-N 3.07Å; V418-V422 HydrophobicContact CG1-CG2 4.21Å; V418-V422 PolarHBondContact O-N 2.96Å; V418-V422 VanDerWaalsContact O-N 3.07Å; V418-A444 HydrophobicContact CG1-CB 4.01Å; V418-A444 WeakPolarHBondContact CG1-O 3.35Å; V418-L447 HydrophobicContact CG2-CB 3.66Å; V418-L447 HydrophobicContact CG2-CD1 4.26Å; V418-D448 HydrophobicContact CG2-CB 4.35Å; V418-I454 HydrophobicContact CG1-CD1 3.54Å |
| 419 | D | 95.5 | Very high | 95.9 | Very high | 48 Ų | 48 | 38.5 Ų | 38.5 | 26% | 0.257 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -54.4 | -37.4 | -178.8 | -60.9 | -94.9 | 0 | 0 | 0 | 113.2 | W385 Y388 L417 V422 L423 | W385-D419 HydrophobicContact CH2-CB 4.15Å; W385-D419 HydrophobicContact CZ3-CB 4.38Å; Y388-D419 HydrophobicContact CD2-CB 4.35Å; Y388-D419 HydrophobicContact CE2-CB 3.69Å; Y388-D419 WeakPolarHBondContact CE2-O 3.38Å; L417-D419 WeakPolarHBondContact CD1-OD2 3.41Å; L417-D419 HydrophobicContact CG-CB 4.41Å; L417-D419 PolarHBondContact O-N 3.32Å; D419-V422 PolarHBondContact O-N 3.04Å; D419-L423 WeakPolarHBondContact O-CB 3.46Å; D419-L423 PolarHBondContact O-N 2.78Å |
| 420 | F | 97.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -71.2 | -33 | 178.6 | -83.8 | -57.2 | 0 | 0 | 0 | 112.9 | V384 Y388 I407 Q410 L411 L417 V418 K424 | V384-F420 HydrophobicContact CG1-CE2 3.79Å; V384-F420 HydrophobicContact CG1-CZ 4.24Å; Y388-F420 AromaticContact CD2-CD1 3.85Å; Y388-F420 HydrophobicContact CD2-CD1 3.85Å; Y388-F420 AromaticContact CD2-CE1 3.7Å; Y388-F420 HydrophobicContact CD2-CE1 3.7Å; Y388-F420 HydrophobicContact CD2-CG 4.47Å; Y388-F420 HydrophobicContact CD2-CZ 4.2Å; Y388-F420 HydrophobicContact CE2-CD1 4.48Å; Y388-F420 HydrophobicContact CG-CE1 4.36Å; I407-F420 HydrophobicContact CB-CD1 4.33Å; I407-F420 HydrophobicContact CG1-CD1 4.09Å; I407-F420 HydrophobicContact CG2-CB 4Å; I407-F420 HydrophobicContact CG2-CD1 4Å; I407-F420 HydrophobicContact CG2-CG 4.35Å; I407-F420 WeakPolarHBondContact CG2-O 3.34Å; Q410-F420 HydrophobicContact CB-CD1 4.39Å; Q410-F420 HydrophobicContact CB-CD2 3.89Å; Q410-F420 HydrophobicContact CB-CE1 3.95Å; Q410-F420 HydrophobicContact CB-CE2 3.38Å; Q410-F420 HydrophobicContact CB-CG 4.38Å; Q410-F420 HydrophobicContact CB-CZ 3.45Å; Q410-F420 VanDerWaalsContact CB-CZ 3.45Å; Q410-F420 HydrophobicContact CG-CE1 4.03Å; Q410-F420 HydrophobicContact CG-CE2 3.97Å; Q410-F420 HydrophobicContact CG-CZ 3.53Å; L411-F420 HydrophobicContact CD2-CB 3.49Å; L411-F420 VanDerWaalsContact CD2-CB 3.49Å; L411-F420 HydrophobicContact CD2-CG 4.41Å; L411-F420 HydrophobicContact CG-CB 3.92Å; L417-F420 HydrophobicContact CB-CD2 4.36Å; L417-F420 HydrophobicContact CD2-CD2 3.72Å; L417-F420 HydrophobicContact CD2-CE2 3.72Å; L417-F420 HydrophobicContact CG-CD2 4.19Å; L417-F420 PolarHBondContact O-N 3.37Å; V418-F420 PolarHBondContact O-N 3.45Å; V418-F420 VanDerWaalsContact O-N 3.17Å; F420-K424 VanDerWaalsContact O-CB 3.28Å; F420-K424 WeakPolarHBondContact O-CB 3.4Å; F420-K424 PolarHBondContact O-N 2.63Å |
| 421 | Y | 97.1 | Very high | 96 | Very high | 34 Ų | 34 | 38.3 Ų | 38.3 | 13% | 0.133 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -68.2 | -43.4 | 173.6 | -67.5 | -90.9 | 0 | 0 | 0 | 111.1 | L411 P415 V418 K424 A425 W440 E443 L447 | L411-Y421 HydrophobicContact CD1-CD1 4.4Å; L411-Y421 HydrophobicContact CD1-CE1 4.22Å; L411-Y421 HydrophobicContact CD2-CD2 3.67Å; L411-Y421 HydrophobicContact CD2-CE1 4.32Å; L411-Y421 HydrophobicContact CD2-CE2 3.28Å; L411-Y421 HydrophobicContact CD2-CG 4.33Å; P415-Y421 WeakPolarHBondContact O-CE2 3.47Å; P415-Y421 PolarHBondContact O-OH 2.82Å; V418-Y421 WeakPolarHBondContact O-CB 3.4Å; V418-Y421 PolarHBondContact O-N 3.07Å; Y421-K424 PolarHBondContact O-N 2.89Å; Y421-A425 WeakPolarHBondContact O-CB 3.49Å; Y421-A425 PolarHBondContact O-N 2.93Å; Y421-W440 HydrophobicContact CD1-CE3 4.06Å; Y421-W440 HydrophobicContact CD1-CZ3 4.31Å; Y421-W440 HydrophobicContact CE1-CE3 4.45Å; Y421-W440 HydrophobicContact CE1-CZ3 4.24Å; Y421-E443 HydrophobicContact CD1-CB 3.8Å; Y421-E443 HydrophobicContact CE1-CB 4.25Å; Y421-L447 HydrophobicContact CD2-CD1 3.57Å; Y421-L447 HydrophobicContact CE2-CD1 3.38Å; Y421-L447 HydrophobicContact CG-CD1 4.27Å |
| 422 | V | 97.6 | Very high | 96.1 | Very high | 13 Ų | 13 | 37.6 Ų | 37.6 | 8% | 0.079 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -59 | -48.4 | 173.8 | 175.8 | 0 | 0 | 0 | 0 | 110.3 | V418 D419 K424 A425 D426 M441 A444 I454 | V418-V422 HydrophobicContact CG1-CG2 4.21Å; V418-V422 PolarHBondContact O-N 2.96Å; V418-V422 VanDerWaalsContact O-N 3.07Å; D419-V422 PolarHBondContact O-N 3.04Å; V422-K424 PolarHBondContact O-N 3.07Å; V422-A425 WeakPolarHBondContact O-CB 3.11Å; V422-A425 PolarHBondContact O-N 3.44Å; V422-D426 PolarHBondContact O-N 3.02Å; V422-M441 HydrophobicContact CG1-CE 4.23Å; V422-M441 HydrophobicContact CG2-SD 4.44Å; V422-A444 HydrophobicContact CG2-CB 3.7Å; V422-I454 HydrophobicContact CG2-CD1 4.32Å; V422-I454 HydrophobicContact CG2-CG1 4.4Å |
| 423 | L | 98.1 | Very high | 96.3 | Very high | 6 Ų | 6 | 30.9 Ų | 30.9 | 3% | 0.031 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -64.4 | -39.2 | 178.2 | -177.7 | 59.2 | 0 | 0 | 0 | 111.8 | Y388 A391 Q392 I407 D419 A425 D426 V427 | Y388-L423 HydrophobicContact CD2-CD2 3.79Å; Y388-L423 HydrophobicContact CE2-CB 3.8Å; Y388-L423 HydrophobicContact CE2-CD2 3.61Å; Y388-L423 HydrophobicContact CE2-CG 4.3Å; Y388-L423 HydrophobicContact CG-CD2 4.32Å; A391-L423 HydrophobicContact CB-CD2 3.66Å; Q392-L423 HydrophobicContact CG-CD1 3.74Å; Q392-L423 HydrophobicContact CG-CD2 3.93Å; I407-L423 HydrophobicContact CD1-CB 4.43Å; I407-L423 HydrophobicContact CD1-CD2 4.14Å; I407-L423 HydrophobicContact CD1-CG 3.86Å; I407-L423 HydrophobicContact CG1-CD2 4.27Å; I407-L423 HydrophobicContact CG1-CG 4.48Å; D419-L423 WeakPolarHBondContact O-CB 3.46Å; D419-L423 PolarHBondContact O-N 2.78Å; L423-A425 VanDerWaalsContact C-N 3.31Å; L423-A425 PolarHBondContact O-N 3.16Å; L423-D426 HydrophobicContact CD1-CB 4.46Å; L423-D426 WeakPolarHBondContact O-CB 3.28Å; L423-D426 PolarHBondContact O-N 3.11Å; L423-D426 VanDerWaalsContact O-N 3.15Å; L423-V427 WeakPolarHBondContact O-CG2 3.39Å; L423-V427 PolarHBondContact O-N 3.49Å |
| 424 | K | 98.4 | Very high | 96.5 | Very high | 10 Ų | 10 | 29.3 Ų | 29.3 | 4% | 0.043 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -60.4 | -44.5 | 175.9 | -165 | 167.9 | -178.4 | 178.5 | 0 | 111.3 | I407 D408 L411 F420 Y421 V422 D426 V427 F428 W440 | I407-K424 HydrophobicContact CD1-CB 4.36Å; I407-K424 HydrophobicContact CG2-CB 3.98Å; I407-K424 HydrophobicContact CG2-CD 4.21Å; I407-K424 HydrophobicContact CG2-CG 4.35Å; D408-K424 VanDerWaalsContact CG-NZ 3.34Å; D408-K424 WeakPolarHBondContact OD1-CE 3.44Å; D408-K424 IonicContact OD1-NZ 3.98Å; D408-K424 PolarHBondContact OD1-NZ 3.03Å; D408-K424 IonicContact OD2-NZ 3.98Å; D408-K424 PolarHBondContact OD2-NZ 3.43Å; L411-K424 HydrophobicContact CD1-CD 4.31Å; F420-K424 VanDerWaalsContact O-CB 3.28Å; F420-K424 WeakPolarHBondContact O-CB 3.4Å; F420-K424 PolarHBondContact O-N 2.63Å; Y421-K424 PolarHBondContact O-N 2.89Å; V422-K424 PolarHBondContact O-N 3.07Å; K424-D426 VanDerWaalsContact C-N 3.32Å; K424-D426 PolarHBondContact O-N 3.23Å; K424-V427 PolarHBondContact O-N 3.37Å; K424-F428 HydrophobicContact CG-CD2 4.14Å; K424-F428 HydrophobicContact CG-CE2 3.96Å; K424-F428 VanDerWaalsContact O-CD2 3.31Å; K424-F428 WeakPolarHBondContact O-CD2 3.28Å; K424-F428 PolarHBondContact O-N 3.3Å; K424-F428 VanDerWaalsContact O-N 3.14Å; K424-W440 HydrophobicContact CB-CG 4.47Å; K424-W440 HydrophobicContact CD-CD2 3.7Å; K424-W440 HydrophobicContact CD-CE3 3.98Å; K424-W440 HydrophobicContact CD-CG 4.13Å; K424-W440 HydrophobicContact CD-CH2 4.35Å; K424-W440 HydrophobicContact CD-CZ2 4.1Å; K424-W440 HydrophobicContact CD-CZ3 4.29Å; K424-W440 VanDerWaalsContact CE-CE2 3.41Å; K424-W440 VanDerWaalsContact CE-CZ2 3.49Å; K424-W440 HydrophobicContact CG-CD2 4.2Å; K424-W440 HydrophobicContact CG-CG 4.08Å; K424-W440 VanDerWaalsContact NZ-CH2 3.29Å |
| 425 | A | 98.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -60.7 | -42.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y421 V422 L423 V427 F428 H429 A437 W440 M441 F461 | Y421-A425 WeakPolarHBondContact O-CB 3.49Å; Y421-A425 PolarHBondContact O-N 2.93Å; V422-A425 WeakPolarHBondContact O-CB 3.11Å; V422-A425 PolarHBondContact O-N 3.44Å; L423-A425 VanDerWaalsContact C-N 3.31Å; L423-A425 PolarHBondContact O-N 3.16Å; A425-V427 PolarHBondContact O-N 3.38Å; A425-F428 PolarHBondContact O-N 2.97Å; A425-H429 VanDerWaalsContact O-CB 3.27Å; A425-H429 WeakPolarHBondContact O-CB 3.05Å; A425-H429 PolarHBondContact O-N 3.48Å; A425-A437 WeakPolarHBondContact CB-O 3.33Å; A425-A437 WeakPolarHBondContact O-CB 3.46Å; A425-W440 HydrophobicContact CB-CB 3.82Å; A425-M441 HydrophobicContact CB-CB 3.95Å; A425-M441 HydrophobicContact CB-CE 3.73Å; A425-F461 HydrophobicContact CB-CD1 4.29Å; A425-F461 HydrophobicContact CB-CE1 3.82Å |
| 426 | D | 98.2 | Very high | 97.1 | Very high | 36 Ų | 36 | 25.1 Ų | 25.1 | 19% | 0.193 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -58 | -44.8 | 173.8 | -80.5 | -44.9 | 0 | 0 | 0 | 112.6 | V422 L423 K424 F428 H429 D430 R457 | V422-D426 PolarHBondContact O-N 3.02Å; L423-D426 HydrophobicContact CD1-CB 4.46Å; L423-D426 WeakPolarHBondContact O-CB 3.28Å; L423-D426 PolarHBondContact O-N 3.11Å; L423-D426 VanDerWaalsContact O-N 3.15Å; K424-D426 VanDerWaalsContact C-N 3.32Å; K424-D426 PolarHBondContact O-N 3.23Å; D426-F428 PolarHBondContact O-N 3.05Å; D426-H429 PolarHBondContact O-N 2.9Å; D426-D430 WeakPolarHBondContact O-CB 3.24Å; D426-D430 VanDerWaalsContact O-CG 3.31Å; D426-D430 PolarHBondContact O-N 3.4Å; D426-R457 IonicContact OD1-CZ 2.67Å; D426-R457 IonicContact OD1-NH1 2.69Å; D426-R457 IonicContact OD1-NH2 3.83Å; D426-R457 PolarHBondContact OD1-NH2 3.25Å; D426-R457 IonicContact OD2-CZ 3.25Å; D426-R457 IonicContact OD2-NH1 2.74Å; D426-R457 PolarHBondContact OD2-NH1 3.16Å; D426-R457 IonicContact OD2-NH2 2.92Å; D426-R457 PolarHBondContact OD2-NH2 3.1Å |
| 427 | V | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -61.9 | -46.8 | 178.7 | 179.3 | 0 | 0 | 0 | 0 | 111.8 | N395 Y400 A403 I404 I407 L423 K424 A425 H429 D430 A431 | N395-V427 HydrophobicContact CB-CG2 3.96Å; Y400-V427 HydrophobicContact CD1-CG1 4Å; Y400-V427 HydrophobicContact CG-CG1 4.35Å; A403-V427 HydrophobicContact CB-CG1 4.17Å; A403-V427 HydrophobicContact CB-CG2 3.94Å; I404-V427 HydrophobicContact CD1-CG1 4.1Å; I404-V427 HydrophobicContact CG1-CB 4.45Å; I404-V427 HydrophobicContact CG1-CG1 3.85Å; I407-V427 HydrophobicContact CD1-CG2 3.94Å; L423-V427 WeakPolarHBondContact O-CG2 3.39Å; L423-V427 PolarHBondContact O-N 3.49Å; K424-V427 PolarHBondContact O-N 3.37Å; A425-V427 PolarHBondContact O-N 3.38Å; V427-H429 VanDerWaalsContact C-N 3.34Å; V427-D430 PolarHBondContact O-N 3.19Å; V427-A431 WeakPolarHBondContact O-CB 3.17Å; V427-A431 PolarHBondContact O-N 3.08Å |
| 428 | F | 98.6 | Very high | 97.6 | Very high | 27 Ų | 27 | 18 Ų | 18 | 12% | 0.118 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -64.3 | -40 | 176.5 | -81.5 | -72.4 | 0 | 0 | 0 | 112 | I404 K424 A425 D426 A431 G432 D433 T436 A437 W440 | I404-F428 HydrophobicContact CD1-CE1 3.96Å; I404-F428 HydrophobicContact CD1-CE2 3.92Å; I404-F428 HydrophobicContact CD1-CZ 3.62Å; I404-F428 HydrophobicContact CG1-CE2 4.26Å; I404-F428 HydrophobicContact CG1-CZ 4.39Å; K424-F428 HydrophobicContact CG-CD2 4.14Å; K424-F428 HydrophobicContact CG-CE2 3.96Å; K424-F428 VanDerWaalsContact O-CD2 3.31Å; K424-F428 WeakPolarHBondContact O-CD2 3.28Å; K424-F428 PolarHBondContact O-N 3.3Å; K424-F428 VanDerWaalsContact O-N 3.14Å; A425-F428 PolarHBondContact O-N 2.97Å; D426-F428 PolarHBondContact O-N 3.05Å; F428-A431 PolarHBondContact O-N 3.32Å; F428-G432 PolarHBondContact O-N 3.23Å; F428-D433 HydrophobicContact CB-CB 4.28Å; F428-D433 HydrophobicContact CD1-CB 3.98Å; F428-D433 WeakPolarHBondContact O-CA 3.02Å; F428-D433 PolarHBondContact O-N 2.82Å; F428-T436 HydrophobicContact CD1-CG2 3.78Å; F428-T436 HydrophobicContact CD2-CG2 3.97Å; F428-T436 HydrophobicContact CE1-CG2 3.75Å; F428-T436 HydrophobicContact CE2-CG2 3.95Å; F428-T436 HydrophobicContact CG-CG2 3.9Å; F428-T436 HydrophobicContact CZ-CG2 3.84Å; F428-A437 HydrophobicContact CB-CB 3.83Å; F428-W440 AromaticContact CD2-CD1 3.48Å; F428-W440 VanDerWaalsContact CD2-CD1 3.48Å; F428-W440 AromaticContact CD2-NE1 3.79Å; F428-W440 AromaticContact CE2-CD1 3.59Å; F428-W440 AromaticContact CE2-NE1 3.37Å |
| 429 | H | 98.2 | Very high | 97.7 | Very high | 35 Ų | 35 | 19.1 Ų | 19.1 | 16% | 0.162 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -61.3 | -48.4 | 177.4 | 171.4 | -78.4 | 0 | 0 | 0 | 111.2 | A425 D426 V427 A431 G432 Y434 A437 F461 E464 | A425-H429 VanDerWaalsContact O-CB 3.27Å; A425-H429 WeakPolarHBondContact O-CB 3.05Å; A425-H429 PolarHBondContact O-N 3.48Å; D426-H429 PolarHBondContact O-N 2.9Å; V427-H429 VanDerWaalsContact C-N 3.34Å; H429-A431 VanDerWaalsContact C-N 3.27Å; H429-A431 PolarHBondContact O-N 2.8Å; H429-G432 WeakPolarHBondContact O-CA 3.46Å; H429-G432 PolarHBondContact O-N 3.27Å; H429-Y434 AromaticContact CD2-CD1 3.65Å; H429-Y434 AromaticContact CD2-CE1 3.58Å; H429-Y434 AromaticContact NE2-CE1 3.66Å; H429-A437 HydrophobicContact CB-CB 3.87Å; H429-F461 HydrophobicContact CB-CE1 3.82Å; H429-F461 HydrophobicContact CB-CZ 3.77Å; H429-F461 AromaticContact CD2-CE2 3.76Å; H429-F461 AromaticContact CD2-CZ 3.74Å; H429-F461 AromaticContact CG-CZ 3.78Å; H429-E464 IonicContact CD2-OE2 3.3Å; H429-E464 IonicContact NE2-OE1 2.91Å; H429-E464 IonicContact NE2-OE2 2.75Å; H429-E464 PolarHBondContact NE2-OE2 3.19Å |
| 430 | D | 97.8 | Very high | 97.7 | Very high | 65 Ų | 65 | 18.6 Ų | 18.6 | 35% | 0.348 | 9% | 0.086 | S | C | . | . | H | α-helix | trans | -65.4 | -32 | 179.1 | -70 | -13.6 | 0 | 0 | 0 | 112.2 | N395 Y400 D426 V427 G432 W819 | N395-D430 PolarHBondContact ND2-OD2 3Å; Y400-D430 HydrophobicContact CE1-CB 4.12Å; Y400-D430 PolarHBondContact OH-O 2.84Å; D426-D430 WeakPolarHBondContact O-CB 3.24Å; D426-D430 VanDerWaalsContact O-CG 3.31Å; D426-D430 PolarHBondContact O-N 3.4Å; V427-D430 PolarHBondContact O-N 3.19Å; D430-G432 PolarHBondContact O-N 3.33Å; D430-W819 PolarHBondContact O-NE1 3.35Å |
| 431 | A | 97.9 | Very high | 97.7 | Very high | 3 Ų | 3 | 18.6 Ų | 18.6 | 3% | 0.025 | 9% | 0.086 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -8.3 | 171.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y400 V427 F428 H429 M858 | Y400-A431 HydrophobicContact CD1-CB 4.12Å; Y400-A431 HydrophobicContact CD2-CB 3.56Å; Y400-A431 HydrophobicContact CE1-CB 4.3Å; Y400-A431 HydrophobicContact CE2-CB 3.75Å; Y400-A431 HydrophobicContact CG-CB 3.75Å; V427-A431 WeakPolarHBondContact O-CB 3.17Å; V427-A431 PolarHBondContact O-N 3.08Å; F428-A431 PolarHBondContact O-N 3.32Å; H429-A431 VanDerWaalsContact C-N 3.27Å; H429-A431 PolarHBondContact O-N 2.8Å; A431-M858 HydrophobicContact CB-CB 3.94Å; A431-M858 HydrophobicContact CB-SD 3.87Å |
| 432 | G | 97.5 | Very high | 97.6 | Very high | 1 Ų | 1 | 17.6 Ų | 17.6 | 1% | 0.01 | 8% | 0.083 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 84.2 | 13.2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | F428 H429 D430 Y434 A859 N860 | F428-G432 PolarHBondContact O-N 3.23Å; H429-G432 WeakPolarHBondContact O-CA 3.46Å; H429-G432 PolarHBondContact O-N 3.27Å; D430-G432 PolarHBondContact O-N 3.33Å; G432-Y434 PolarHBondContact O-N 2.9Å; G432-A859 WeakPolarHBondContact O-CA 3.47Å; G432-N860 PolarHBondContact O-N 2.92Å; G432-N860 PolarHBondContact O-OD1 2.85Å |
| 433 | D | 98 | Very high | 97.5 | Very high | 13 Ų | 13 | 17.8 Ų | 17.8 | 7% | 0.07 | 8% | 0.083 | C | C | . | . | trans | -95.9 | 72.5 | 173.4 | -166 | -10.6 | 0 | 0 | 0 | 111 | F428 I435 T436 A437 M858 N860 | F428-D433 HydrophobicContact CB-CB 4.28Å; F428-D433 HydrophobicContact CD1-CB 3.98Å; F428-D433 WeakPolarHBondContact O-CA 3.02Å; F428-D433 PolarHBondContact O-N 2.82Å; D433-I435 PolarHBondContact O-N 3.39Å; D433-I435 PolarHBondContact OD1-N 3.45Å; D433-T436 VanDerWaalsContact CG-CB 3.42Å; D433-T436 WeakPolarHBondContact OD1-CB 3.41Å; D433-T436 PolarHBondContact OD1-N 3.42Å; D433-T436 PolarHBondContact OD1-OG1 2.9Å; D433-T436 WeakPolarHBondContact OD2-CB 3.37Å; D433-T436 PolarHBondContact OD2-OG1 3.19Å; D433-A437 WeakPolarHBondContact O-CB 3.17Å; D433-A437 PolarHBondContact O-N 3.2Å; D433-M858 VanDerWaalsContact CB-O 3.22Å; D433-M858 WeakPolarHBondContact CB-O 3.48Å; D433-N860 VanDerWaalsContact C-OD1 3.29Å; D433-N860 VanDerWaalsContact CA-OD1 3.31Å; D433-N860 WeakPolarHBondContact CA-OD1 3.38Å; D433-N860 PolarHBondContact OD1-ND2 3.13Å; D433-N860 PolarHBondContact OD1-OD1 2.92Å | ||
| 434 | Y | 96.8 | Very high | 97.3 | Very high | 45 Ų | 45 | 17.5 Ų | 17.5 | 18% | 0.176 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -62.4 | -31 | 179.4 | -57.4 | -43.8 | 0 | 0 | 0 | 113.2 | H429 G432 S438 E464 W819 N860 | H429-Y434 AromaticContact CD2-CD1 3.65Å; H429-Y434 AromaticContact CD2-CE1 3.58Å; H429-Y434 AromaticContact NE2-CE1 3.66Å; G432-Y434 PolarHBondContact O-N 2.9Å; Y434-S438 WeakPolarHBondContact O-CB 3.47Å; Y434-S438 PolarHBondContact O-N 2.97Å; Y434-E464 HydrophobicContact CG-CB 4.24Å; Y434-W819 HydrophobicContact CE2-CH2 4.11Å; Y434-W819 AromaticContact CZ-CH2 3.73Å; Y434-W819 WeakPolarHBondContact OH-CH2 3.38Å; Y434-W819 WeakPolarHBondContact OH-CZ2 3.25Å; Y434-N860 PolarHBondContact N-OD1 3.03Å |
| 435 | I | 97.8 | Very high | 97.1 | Very high | 6 Ų | 6 | 17.2 Ų | 17.2 | 3% | 0.031 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -68 | -53.3 | -178.8 | -63.4 | 171.8 | 0 | 0 | 0 | 110 | D433 A437 S438 R439 A465 N860 I868 L871 R872 M875 | D433-I435 PolarHBondContact O-N 3.39Å; D433-I435 PolarHBondContact OD1-N 3.45Å; I435-A437 VanDerWaalsContact C-N 3.33Å; I435-A437 PolarHBondContact O-N 3.13Å; I435-S438 PolarHBondContact O-N 3.41Å; I435-S438 PolarHBondContact O-OG 3.25Å; I435-R439 PolarHBondContact O-N 2.94Å; I435-A465 HydrophobicContact CG1-CB 4.48Å; I435-N860 PolarHBondContact N-OD1 3.24Å; I435-N860 VanDerWaalsContact N-OD1 3.14Å; I435-I868 HydrophobicContact CD1-CG2 3.89Å; I435-L871 HydrophobicContact CB-CD2 4.2Å; I435-L871 HydrophobicContact CB-CG 4.3Å; I435-L871 HydrophobicContact CD1-CD2 4.18Å; I435-L871 HydrophobicContact CD1-CG 4.44Å; I435-L871 HydrophobicContact CG2-CD2 4.37Å; I435-L871 HydrophobicContact CG2-CG 3.92Å; I435-R872 HydrophobicContact CD1-CB 4.32Å; I435-R872 HydrophobicContact CG2-CB 4.2Å; I435-R872 HydrophobicContact CG2-CG 4.46Å; I435-M875 HydrophobicContact CG2-CB 3.99Å; I435-M875 HydrophobicContact CG2-CG 3.92Å |
| 436 | T | 97.7 | Very high | 96.8 | Very high | 11 Ų | 11 | 18.6 Ų | 18.6 | 7% | 0.067 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -67.6 | -35.5 | 177.4 | -54.4 | 0 | 0 | 0 | 0 | 111.6 | F428 D433 S438 R439 W440 M875 | F428-T436 HydrophobicContact CD1-CG2 3.78Å; F428-T436 HydrophobicContact CD2-CG2 3.97Å; F428-T436 HydrophobicContact CE1-CG2 3.75Å; F428-T436 HydrophobicContact CE2-CG2 3.95Å; F428-T436 HydrophobicContact CG-CG2 3.9Å; F428-T436 HydrophobicContact CZ-CG2 3.84Å; D433-T436 VanDerWaalsContact CG-CB 3.42Å; D433-T436 WeakPolarHBondContact OD1-CB 3.41Å; D433-T436 PolarHBondContact OD1-N 3.42Å; D433-T436 PolarHBondContact OD1-OG1 2.9Å; D433-T436 WeakPolarHBondContact OD2-CB 3.37Å; D433-T436 PolarHBondContact OD2-OG1 3.19Å; T436-S438 PolarHBondContact O-N 3.4Å; T436-R439 WeakPolarHBondContact O-CB 3.5Å; T436-R439 PolarHBondContact O-N 2.96Å; T436-W440 PolarHBondContact O-N 3.29Å; T436-M875 HydrophobicContact CG2-SD 4.17Å |
| 437 | A | 98.2 | Very high | 96.5 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -58.8 | -45.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | A425 F428 H429 D433 I435 R439 W440 M441 F461 | A425-A437 WeakPolarHBondContact CB-O 3.33Å; A425-A437 WeakPolarHBondContact O-CB 3.46Å; F428-A437 HydrophobicContact CB-CB 3.83Å; H429-A437 HydrophobicContact CB-CB 3.87Å; D433-A437 WeakPolarHBondContact O-CB 3.17Å; D433-A437 PolarHBondContact O-N 3.2Å; I435-A437 VanDerWaalsContact C-N 3.33Å; I435-A437 PolarHBondContact O-N 3.13Å; A437-R439 VanDerWaalsContact C-N 3.27Å; A437-R439 PolarHBondContact O-N 3.1Å; A437-W440 PolarHBondContact O-N 2.73Å; A437-M441 PolarHBondContact O-N 3.45Å; A437-F461 HydrophobicContact CB-CD1 3.84Å; A437-F461 HydrophobicContact CB-CE1 3.91Å |
| 438 | S | 97.4 | Very high | 96.2 | Very high | 1 Ų | 1 | 22.4 Ų | 22.4 | 1% | 0.007 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -59.1 | -38.5 | 179.3 | 77 | 0 | 0 | 0 | 0 | 112.6 | Y434 I435 T436 M441 E442 A465 | Y434-S438 WeakPolarHBondContact O-CB 3.47Å; Y434-S438 PolarHBondContact O-N 2.97Å; I435-S438 PolarHBondContact O-N 3.41Å; I435-S438 PolarHBondContact O-OG 3.25Å; T436-S438 PolarHBondContact O-N 3.4Å; S438-M441 PolarHBondContact O-N 3.1Å; S438-E442 WeakPolarHBondContact O-CB 3.36Å; S438-E442 PolarHBondContact O-N 2.9Å; S438-A465 WeakPolarHBondContact OG-CB 3.21Å |
| 439 | R | 95.6 | Very high | 95.8 | Very high | 48 Ų | 48 | 24.7 Ų | 24.7 | 18% | 0.181 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -61.3 | -52.5 | 173.8 | 170.9 | -170.8 | 172.8 | -160.7 | -0.5 | 111.4 | I435 T436 A437 M441 E442 E443 M875 A879 | I435-R439 PolarHBondContact O-N 2.94Å; T436-R439 WeakPolarHBondContact O-CB 3.5Å; T436-R439 PolarHBondContact O-N 2.96Å; A437-R439 VanDerWaalsContact C-N 3.27Å; A437-R439 PolarHBondContact O-N 3.1Å; R439-M441 VanDerWaalsContact C-N 3.25Å; R439-M441 PolarHBondContact O-N 3.26Å; R439-E442 WeakPolarHBondContact O-CA 3.26Å; R439-E442 WeakPolarHBondContact O-CB 3.39Å; R439-E442 PolarHBondContact O-N 3.27Å; R439-E443 PolarHBondContact O-N 3.07Å; R439-M875 HydrophobicContact CB-CB 4.27Å; R439-M875 WeakPolarHBondContact CD-SD 3.47Å; R439-A879 HydrophobicContact CG-CB 4.25Å |
| 440 | W | 96.8 | Very high | 95.3 | Very high | 37 Ų | 37 | 26.9 Ų | 26.9 | 14% | 0.14 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -66.3 | -30.1 | -177.2 | -70 | 115.3 | 0 | 0 | 0 | 112.8 | Y421 K424 A425 F428 T436 A437 E443 A444 | Y421-W440 HydrophobicContact CD1-CE3 4.06Å; Y421-W440 HydrophobicContact CD1-CZ3 4.31Å; Y421-W440 HydrophobicContact CE1-CE3 4.45Å; Y421-W440 HydrophobicContact CE1-CZ3 4.24Å; K424-W440 HydrophobicContact CB-CG 4.47Å; K424-W440 HydrophobicContact CD-CD2 3.7Å; K424-W440 HydrophobicContact CD-CE3 3.98Å; K424-W440 HydrophobicContact CD-CG 4.13Å; K424-W440 HydrophobicContact CD-CH2 4.35Å; K424-W440 HydrophobicContact CD-CZ2 4.1Å; K424-W440 HydrophobicContact CD-CZ3 4.29Å; K424-W440 VanDerWaalsContact CE-CE2 3.41Å; K424-W440 VanDerWaalsContact CE-CZ2 3.49Å; K424-W440 HydrophobicContact CG-CD2 4.2Å; K424-W440 HydrophobicContact CG-CG 4.08Å; K424-W440 VanDerWaalsContact NZ-CH2 3.29Å; A425-W440 HydrophobicContact CB-CB 3.82Å; F428-W440 AromaticContact CD2-CD1 3.48Å; F428-W440 VanDerWaalsContact CD2-CD1 3.48Å; F428-W440 AromaticContact CD2-NE1 3.79Å; F428-W440 AromaticContact CE2-CD1 3.59Å; F428-W440 AromaticContact CE2-NE1 3.37Å; T436-W440 PolarHBondContact O-N 3.29Å; A437-W440 PolarHBondContact O-N 2.73Å; W440-E443 HydrophobicContact CE3-CB 4.41Å; W440-E443 HydrophobicContact CE3-CG 4.09Å; W440-E443 HydrophobicContact CZ3-CG 4.43Å; W440-E443 PolarHBondContact O-N 3.43Å; W440-A444 PolarHBondContact O-N 3.24Å |
| 441 | M | 97 | Very high | 95.1 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -70.1 | -35.3 | 171.9 | -168.8 | 58.6 | 66.9 | 0 | 0 | 112 | V422 A425 A437 S438 R439 A444 Q445 I454 R457 C458 F461 | V422-M441 HydrophobicContact CG1-CE 4.23Å; V422-M441 HydrophobicContact CG2-SD 4.44Å; A425-M441 HydrophobicContact CB-CB 3.95Å; A425-M441 HydrophobicContact CB-CE 3.73Å; A437-M441 PolarHBondContact O-N 3.45Å; S438-M441 PolarHBondContact O-N 3.1Å; R439-M441 VanDerWaalsContact C-N 3.25Å; R439-M441 PolarHBondContact O-N 3.26Å; M441-A444 WeakPolarHBondContact O-CB 3.47Å; M441-A444 PolarHBondContact O-N 2.95Å; M441-Q445 WeakPolarHBondContact O-CB 3.46Å; M441-Q445 PolarHBondContact O-N 3.41Å; M441-I454 HydrophobicContact SD-CG2 4.4Å; M441-R457 HydrophobicContact CE-CB 4.21Å; M441-R457 VanDerWaalsContact CE-CZ 3.44Å; M441-R457 HydrophobicContact CG-CB 4.42Å; M441-R457 HydrophobicContact SD-CB 3.94Å; M441-C458 VanDerWaalsContact CG-CA 3.41Å; M441-C458 HydrophobicContact CG-CB 3.76Å; M441-F461 HydrophobicContact CB-CB 4.41Å; M441-F461 HydrophobicContact CB-CD1 3.78Å; M441-F461 HydrophobicContact CB-CE1 4.44Å; M441-F461 HydrophobicContact CB-CG 4.29Å; M441-F461 HydrophobicContact CE-CD1 4.07Å; M441-F461 HydrophobicContact CE-CE1 3.72Å; M441-F461 HydrophobicContact CE-CZ 3.97Å; M441-F461 HydrophobicContact CG-CD1 4.23Å; M441-F461 HydrophobicContact CG-CG 4.4Å |
| 442 | E | 95.2 | Very high | 94.7 | Very high | 13 Ų | 13 | 34.4 Ų | 34.4 | 6% | 0.061 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -65.9 | -40.1 | 172.6 | -176.9 | 167.8 | -153.9 | 0 | 0 | 111.8 | S438 R439 Q445 S446 M462 R467 | S438-E442 WeakPolarHBondContact O-CB 3.36Å; S438-E442 PolarHBondContact O-N 2.9Å; R439-E442 WeakPolarHBondContact O-CA 3.26Å; R439-E442 WeakPolarHBondContact O-CB 3.39Å; R439-E442 PolarHBondContact O-N 3.27Å; E442-Q445 WeakPolarHBondContact O-CB 3.35Å; E442-Q445 PolarHBondContact O-N 2.72Å; E442-S446 PolarHBondContact O-N 3.43Å; E442-M462 HydrophobicContact CB-CE 4.25Å; E442-M462 HydrophobicContact CG-CE 4.06Å; E442-R467 IonicContact OE1-NH2 2.76Å; E442-R467 PolarHBondContact OE1-NH2 2.94Å; E442-R467 IonicContact OE2-CZ 3.44Å; E442-R467 VanDerWaalsContact OE2-CZ 3.3Å; E442-R467 IonicContact OE2-NH1 3.33Å; E442-R467 PolarHBondContact OE2-NH1 3.13Å; E442-R467 IonicContact OE2-NH2 3.45Å; E442-R467 PolarHBondContact OE2-NH2 3.33Å |
| 443 | E | 94.2 | Very high | 94.5 | Very high | 16 Ų | 16 | 40.5 Ų | 40.5 | 8% | 0.075 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -59.2 | -47.6 | 170.3 | -66 | -57.5 | 153.5 | 0 | 0 | 111.6 | Y421 R439 W440 Q445 S446 L447 S882 | Y421-E443 HydrophobicContact CD1-CB 3.8Å; Y421-E443 HydrophobicContact CE1-CB 4.25Å; R439-E443 PolarHBondContact O-N 3.07Å; W440-E443 HydrophobicContact CE3-CB 4.41Å; W440-E443 HydrophobicContact CE3-CG 4.09Å; W440-E443 HydrophobicContact CZ3-CG 4.43Å; W440-E443 PolarHBondContact O-N 3.43Å; E443-Q445 VanDerWaalsContact C-N 3.3Å; E443-Q445 PolarHBondContact O-N 3.47Å; E443-S446 WeakPolarHBondContact O-CB 3.46Å; E443-S446 PolarHBondContact O-N 3.41Å; E443-S446 VanDerWaalsContact O-N 3.12Å; E443-S446 PolarHBondContact O-OG 2.78Å; E443-L447 PolarHBondContact O-N 3.22Å; E443-S882 VanDerWaalsContact CD-OG 3.31Å; E443-S882 VanDerWaalsContact OE1-CB 3.3Å; E443-S882 WeakPolarHBondContact OE1-CB 3.46Å; E443-S882 PolarHBondContact OE1-OG 3.22Å |
| 444 | A | 94.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -57.3 | -45.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | V418 V422 W440 M441 S446 L447 D448 I454 | V418-A444 HydrophobicContact CG1-CB 4.01Å; V418-A444 WeakPolarHBondContact CG1-O 3.35Å; V422-A444 HydrophobicContact CG2-CB 3.7Å; W440-A444 PolarHBondContact O-N 3.24Å; M441-A444 WeakPolarHBondContact O-CB 3.47Å; M441-A444 PolarHBondContact O-N 2.95Å; A444-S446 VanDerWaalsContact C-N 3.28Å; A444-S446 PolarHBondContact O-N 2.93Å; A444-L447 PolarHBondContact O-N 3.47Å; A444-D448 PolarHBondContact O-N 2.96Å; A444-I454 HydrophobicContact CB-CG2 4.3Å |
| 445 | Q | 94 | Very high | 94.2 | Very high | 5 Ų | 5 | 38.4 Ų | 38.4 | 2% | 0.023 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -62.6 | -34.8 | 177.6 | -169 | -75.3 | -43.9 | 0 | 0 | 112.3 | M441 E442 E443 L447 D448 T449 I454 N455 C458 M474 | M441-Q445 WeakPolarHBondContact O-CB 3.46Å; M441-Q445 PolarHBondContact O-N 3.41Å; E442-Q445 WeakPolarHBondContact O-CB 3.35Å; E442-Q445 PolarHBondContact O-N 2.72Å; E443-Q445 VanDerWaalsContact C-N 3.3Å; E443-Q445 PolarHBondContact O-N 3.47Å; Q445-L447 VanDerWaalsContact C-N 3.28Å; Q445-L447 PolarHBondContact O-N 2.96Å; Q445-D448 CarbonylContact O-C 3.55Å; Q445-D448 PolarHBondContact O-N 3.02Å; Q445-T449 WeakPolarHBondContact O-CA 3.47Å; Q445-T449 WeakPolarHBondContact O-CG2 3.44Å; Q445-T449 PolarHBondContact O-N 3.32Å; Q445-I454 HydrophobicContact CB-CG2 3.83Å; Q445-I454 HydrophobicContact CG-CG2 4.32Å; Q445-N455 WeakPolarHBondContact CG-OD1 3.49Å; Q445-N455 PolarHBondContact NE2-OD1 3.43Å; Q445-C458 HydrophobicContact CB-CB 4.17Å; Q445-C458 HydrophobicContact CG-CB 4.22Å; Q445-M474 HydrophobicContact CG-CE 4.02Å; Q445-M474 HydrophobicContact CG-SD 3.76Å |
| 446 | S | 92.6 | Very high | 94 | Very high | 29 Ų | 29 | 39.5 Ų | 39.5 | 20% | 0.203 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -66.9 | -30.5 | 179 | 82.7 | 0 | 0 | 0 | 0 | 112.8 | E442 E443 A444 | E442-S446 PolarHBondContact O-N 3.43Å; E443-S446 WeakPolarHBondContact O-CB 3.46Å; E443-S446 PolarHBondContact O-N 3.41Å; E443-S446 VanDerWaalsContact O-N 3.12Å; E443-S446 PolarHBondContact O-OG 2.78Å; A444-S446 VanDerWaalsContact C-N 3.28Å; A444-S446 PolarHBondContact O-N 2.93Å |
| 447 | L | 91.9 | Very high | 93.9 | Very high | 54 Ų | 54 | 41 Ų | 41 | 28% | 0.283 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -79.9 | -30.9 | 178.6 | -66 | 174.4 | 0 | 0 | 0 | 112.7 | V418 Y421 E443 A444 Q445 I884 | V418-L447 HydrophobicContact CG2-CB 3.66Å; V418-L447 HydrophobicContact CG2-CD1 4.26Å; Y421-L447 HydrophobicContact CD2-CD1 3.57Å; Y421-L447 HydrophobicContact CE2-CD1 3.38Å; Y421-L447 HydrophobicContact CG-CD1 4.27Å; E443-L447 PolarHBondContact O-N 3.22Å; A444-L447 PolarHBondContact O-N 3.47Å; Q445-L447 VanDerWaalsContact C-N 3.28Å; Q445-L447 PolarHBondContact O-N 2.96Å; L447-I884 HydrophobicContact CD2-CD1 3.94Å |
| 448 | D | 91.4 | Very high | 93.8 | Very high | 61 Ų | 61 | 41 Ų | 41 | 33% | 0.326 | 21% | 0.21 | S | C | . | . | trans | -133.2 | 80 | 173.6 | -167.8 | -10.5 | 0 | 0 | 0 | 111.7 | V418 A444 Q445 A450 D451 I454 | V418-D448 HydrophobicContact CG2-CB 4.35Å; A444-D448 PolarHBondContact O-N 2.96Å; Q445-D448 CarbonylContact O-C 3.55Å; Q445-D448 PolarHBondContact O-N 3.02Å; D448-A450 PolarHBondContact O-N 2.83Å; D448-A450 PolarHBondContact OD1-N 3.47Å; D448-D451 HydrophobicContact CB-CB 4.27Å; D448-D451 PolarHBondContact O-N 3.21Å; D448-D451 PolarHBondContact OD1-N 3.39Å; D448-I454 HydrophobicContact CB-CD1 4.34Å | ||
| 449 | T | 90.2 | Very high | 93.8 | Very high | 76 Ų | 76 | 41 Ų | 41 | 47% | 0.466 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -18.8 | -177 | 62.4 | 0 | 0 | 0 | 0 | 114 | Q445 N455 | Q445-T449 WeakPolarHBondContact O-CA 3.47Å; Q445-T449 WeakPolarHBondContact O-CG2 3.44Å; Q445-T449 PolarHBondContact O-N 3.32Å; T449-N455 PolarHBondContact O-ND2 3.32Å |
| 450 | A | 89.3 | Confident | 93.9 | Very high | 81 Ų | 81 | 42.1 Ų | 42.1 | 67% | 0.669 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.8 | -19.6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | D448 R452 | D448-A450 PolarHBondContact O-N 2.83Å; D448-A450 PolarHBondContact OD1-N 3.47Å; A450-R452 PolarHBondContact O-N 3.17Å; A450-R452 VanDerWaalsContact O-N 3.17Å |
| 451 | D | 92 | Very high | 93.9 | Very high | 53 Ų | 53 | 40.8 Ų | 40.8 | 28% | 0.283 | 21% | 0.211 | S | C | . | . | trans | -68.1 | 111.5 | 178.8 | -171.1 | -41.9 | 0 | 0 | 0 | 111.3 | D448 F453 I454 N455 | D448-D451 HydrophobicContact CB-CB 4.27Å; D448-D451 PolarHBondContact O-N 3.21Å; D448-D451 PolarHBondContact OD1-N 3.39Å; D451-F453 VanDerWaalsContact C-N 3.34Å; D451-F453 PolarHBondContact O-N 3Å; D451-F453 VanDerWaalsContact OD1-CA 3.3Å; D451-F453 WeakPolarHBondContact OD1-CA 3.15Å; D451-F453 VanDerWaalsContact OD1-CB 3.23Å; D451-F453 WeakPolarHBondContact OD1-CB 3.44Å; D451-F453 PolarHBondContact OD1-N 2.87Å; D451-I454 HydrophobicContact CB-CB 4.1Å; D451-I454 HydrophobicContact CB-CD1 3.96Å; D451-I454 HydrophobicContact CB-CG1 4.05Å; D451-I454 PolarHBondContact O-N 3.21Å; D451-I454 PolarHBondContact OD1-N 2.93Å; D451-N455 WeakPolarHBondContact O-CB 3.41Å; D451-N455 PolarHBondContact O-N 3.23Å; D451-N455 PolarHBondContact O-ND2 2.8Å | ||
| 452 | R | 91 | Very high | 93.9 | Very high | 173 Ų | 173 | 40.8 Ų | 40.8 | 65% | 0.653 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -67 | -32.8 | 179.2 | -65.3 | -175.6 | -174.2 | 172.1 | 4.9 | 113.2 | A450 A456 | A450-R452 PolarHBondContact O-N 3.17Å; A450-R452 VanDerWaalsContact O-N 3.17Å; R452-A456 WeakPolarHBondContact O-CB 3.35Å; R452-A456 PolarHBondContact O-N 3.29Å |
| 453 | F | 92.2 | Very high | 94 | Very high | 128 Ų | 128 | 40.2 Ų | 40.2 | 56% | 0.561 | 21% | 0.208 | S | C | * | . | H | α-helix | trans | -67 | -48.8 | 177.3 | 168.3 | -99.1 | 0 | 0 | 0 | 110.1 | D451 N455 A456 R457 | D451-F453 VanDerWaalsContact C-N 3.34Å; D451-F453 PolarHBondContact O-N 3Å; D451-F453 VanDerWaalsContact OD1-CA 3.3Å; D451-F453 WeakPolarHBondContact OD1-CA 3.15Å; D451-F453 VanDerWaalsContact OD1-CB 3.23Å; D451-F453 WeakPolarHBondContact OD1-CB 3.44Å; D451-F453 PolarHBondContact OD1-N 2.87Å; F453-N455 VanDerWaalsContact C-N 3.35Å; F453-N455 PolarHBondContact O-N 3.3Å; F453-A456 PolarHBondContact O-N 3.02Å; F453-R457 HydrophobicContact CD2-CG 4.41Å; F453-R457 HydrophobicContact CE1-CG 4.31Å; F453-R457 HydrophobicContact CE2-CG 4.15Å; F453-R457 HydrophobicContact CZ-CG 4.12Å; F453-R457 WeakPolarHBondContact O-CB 3.39Å; F453-R457 WeakPolarHBondContact O-CG 3.39Å; F453-R457 PolarHBondContact O-N 3.31Å |
| 454 | I | 94.4 | Very high | 94.1 | Very high | 10 Ų | 10 | 41.3 Ų | 41.3 | 5% | 0.051 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62.8 | -43.5 | 176.8 | -61.6 | 176.6 | 0 | 0 | 0 | 110.5 | V418 V422 M441 A444 Q445 D448 D451 A456 R457 C458 | V418-I454 HydrophobicContact CG1-CD1 3.54Å; V422-I454 HydrophobicContact CG2-CD1 4.32Å; V422-I454 HydrophobicContact CG2-CG1 4.4Å; M441-I454 HydrophobicContact SD-CG2 4.4Å; A444-I454 HydrophobicContact CB-CG2 4.3Å; Q445-I454 HydrophobicContact CB-CG2 3.83Å; Q445-I454 HydrophobicContact CG-CG2 4.32Å; D448-I454 HydrophobicContact CB-CD1 4.34Å; D451-I454 HydrophobicContact CB-CB 4.1Å; D451-I454 HydrophobicContact CB-CD1 3.96Å; D451-I454 HydrophobicContact CB-CG1 4.05Å; D451-I454 PolarHBondContact O-N 3.21Å; D451-I454 PolarHBondContact OD1-N 2.93Å; I454-A456 PolarHBondContact O-N 2.59Å; I454-R457 PolarHBondContact O-N 3.01Å; I454-C458 VanDerWaalsContact O-CB 3.27Å; I454-C458 WeakPolarHBondContact O-CB 3.23Å; I454-C458 PolarHBondContact O-N 2.94Å |
| 455 | N | 93.8 | Very high | 94.2 | Very high | 5 Ų | 5 | 41.4 Ų | 41.4 | 3% | 0.027 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -57.2 | -47 | 175.2 | -73.5 | -40.8 | 0 | 0 | 0 | 112.4 | Q445 T449 D451 F453 C458 T459 F478 | Q445-N455 WeakPolarHBondContact CG-OD1 3.49Å; Q445-N455 PolarHBondContact NE2-OD1 3.43Å; T449-N455 PolarHBondContact O-ND2 3.32Å; D451-N455 WeakPolarHBondContact O-CB 3.41Å; D451-N455 PolarHBondContact O-N 3.23Å; D451-N455 PolarHBondContact O-ND2 2.8Å; F453-N455 VanDerWaalsContact C-N 3.35Å; F453-N455 PolarHBondContact O-N 3.3Å; N455-C458 PolarHBondContact O-N 3.02Å; N455-T459 PolarHBondContact O-N 3.27Å; N455-T459 PolarHBondContact O-OG1 3.47Å; N455-F478 HydrophobicContact CB-CD1 3.66Å; N455-F478 HydrophobicContact CB-CE1 3.85Å |
| 456 | A | 94.4 | Very high | 94.2 | Very high | 29 Ų | 29 | 43.8 Ų | 43.8 | 24% | 0.24 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -65.9 | -39.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | R452 F453 I454 T459 K460 F478 | R452-A456 WeakPolarHBondContact O-CB 3.35Å; R452-A456 PolarHBondContact O-N 3.29Å; F453-A456 PolarHBondContact O-N 3.02Å; I454-A456 PolarHBondContact O-N 2.59Å; A456-T459 WeakPolarHBondContact O-CB 3.46Å; A456-T459 PolarHBondContact O-N 2.84Å; A456-K460 PolarHBondContact O-N 3.18Å; A456-F478 HydrophobicContact CB-CZ 4.3Å |
| 457 | R | 95.3 | Very high | 94.4 | Very high | 42 Ų | 42 | 43.1 Ų | 43.1 | 16% | 0.158 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -63.9 | -42.2 | 174.5 | -74.9 | -164.2 | 61.8 | -178.6 | -0.4 | 112.2 | D426 M441 F453 I454 K460 F461 | D426-R457 IonicContact OD1-CZ 2.67Å; D426-R457 IonicContact OD1-NH1 2.69Å; D426-R457 IonicContact OD1-NH2 3.83Å; D426-R457 PolarHBondContact OD1-NH2 3.25Å; D426-R457 IonicContact OD2-CZ 3.25Å; D426-R457 IonicContact OD2-NH1 2.74Å; D426-R457 PolarHBondContact OD2-NH1 3.16Å; D426-R457 IonicContact OD2-NH2 2.92Å; D426-R457 PolarHBondContact OD2-NH2 3.1Å; M441-R457 HydrophobicContact CE-CB 4.21Å; M441-R457 VanDerWaalsContact CE-CZ 3.44Å; M441-R457 HydrophobicContact CG-CB 4.42Å; M441-R457 HydrophobicContact SD-CB 3.94Å; F453-R457 HydrophobicContact CD2-CG 4.41Å; F453-R457 HydrophobicContact CE1-CG 4.31Å; F453-R457 HydrophobicContact CE2-CG 4.15Å; F453-R457 HydrophobicContact CZ-CG 4.12Å; F453-R457 WeakPolarHBondContact O-CB 3.39Å; F453-R457 WeakPolarHBondContact O-CG 3.39Å; F453-R457 PolarHBondContact O-N 3.31Å; I454-R457 PolarHBondContact O-N 3.01Å; R457-K460 WeakPolarHBondContact O-CB 3.45Å; R457-K460 PolarHBondContact O-N 2.91Å; R457-F461 WeakPolarHBondContact O-CD2 3.43Å; R457-F461 PolarHBondContact O-N 2.93Å |
| 458 | C | 96.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -61.5 | -47 | 175.4 | -167.8 | 0 | 0 | 0 | 0 | 111.3 | M441 Q445 I454 N455 K460 F461 M462 M474 | M441-C458 VanDerWaalsContact CG-CA 3.41Å; M441-C458 HydrophobicContact CG-CB 3.76Å; Q445-C458 HydrophobicContact CB-CB 4.17Å; Q445-C458 HydrophobicContact CG-CB 4.22Å; I454-C458 VanDerWaalsContact O-CB 3.27Å; I454-C458 WeakPolarHBondContact O-CB 3.23Å; I454-C458 PolarHBondContact O-N 2.94Å; N455-C458 PolarHBondContact O-N 3.02Å; C458-K460 VanDerWaalsContact C-N 3.3Å; C458-K460 PolarHBondContact O-N 3.31Å; C458-F461 PolarHBondContact O-N 3.44Å; C458-M462 WeakPolarHBondContact O-CG 3.3Å; C458-M462 PolarHBondContact O-N 3.24Å; C458-M474 HydrophobicContact CB-CG 4.12Å; C458-M474 HydrophobicContact CB-SD 4.47Å |
| 459 | T | 96.7 | Very high | 94.6 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -52.8 | -47.5 | 171.7 | -67.9 | 0 | 0 | 0 | 0 | 111.5 | N455 A456 M462 V463 A471 M474 A475 W496 F497 | N455-T459 PolarHBondContact O-N 3.27Å; N455-T459 PolarHBondContact O-OG1 3.47Å; A456-T459 WeakPolarHBondContact O-CB 3.46Å; A456-T459 PolarHBondContact O-N 2.84Å; T459-M462 PolarHBondContact O-N 3.16Å; T459-V463 WeakPolarHBondContact O-CG2 3.33Å; T459-V463 PolarHBondContact O-N 3.02Å; T459-V463 VanDerWaalsContact O-N 3.1Å; T459-A471 HydrophobicContact CG2-CB 4.26Å; T459-A471 WeakPolarHBondContact CG2-O 3.36Å; T459-A471 PolarHBondContact OG1-O 3.03Å; T459-M474 WeakPolarHBondContact OG1-CG 3.48Å; T459-A475 HydrophobicContact CG2-CB 4.2Å; T459-A475 PolarHBondContact OG1-N 3.1Å; T459-W496 HydrophobicContact CG2-CH2 4.14Å; T459-F497 HydrophobicContact CG2-CD2 3.96Å; T459-F497 HydrophobicContact CG2-CE2 3.75Å |
| 460 | K | 97 | Very high | 94.8 | Very high | 73 Ų | 73 | 44.5 Ų | 44.5 | 32% | 0.317 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -60.5 | -49.6 | 179.3 | -179.1 | 172.2 | 174.7 | 170.9 | 0 | 112.3 | A456 R457 C458 M462 V463 E464 W496 D500 | A456-K460 PolarHBondContact O-N 3.18Å; R457-K460 WeakPolarHBondContact O-CB 3.45Å; R457-K460 PolarHBondContact O-N 2.91Å; C458-K460 VanDerWaalsContact C-N 3.3Å; C458-K460 PolarHBondContact O-N 3.31Å; K460-M462 VanDerWaalsContact C-N 3.27Å; K460-M462 PolarHBondContact O-N 2.97Å; K460-V463 WeakPolarHBondContact O-CB 3.32Å; K460-V463 PolarHBondContact O-N 2.62Å; K460-E464 WeakPolarHBondContact CE-OE1 3.29Å; K460-E464 IonicContact NZ-OE1 3.56Å; K460-E464 PolarHBondContact O-N 2.84Å; K460-W496 HydrophobicContact CB-CE3 4.36Å; K460-W496 HydrophobicContact CB-CH2 4.03Å; K460-W496 HydrophobicContact CB-CZ3 3.61Å; K460-W496 HydrophobicContact CD-CE3 4.32Å; K460-W496 HydrophobicContact CD-CZ3 4.4Å; K460-W496 HydrophobicContact CG-CE3 4.32Å; K460-W496 HydrophobicContact CG-CZ3 3.99Å; K460-D500 WeakPolarHBondContact CE-OD2 3.5Å; K460-D500 IonicContact NZ-OD2 3.09Å |
| 461 | F | 97.8 | Very high | 95.1 | Very high | 8 Ų | 8 | 40.7 Ų | 40.7 | 4% | 0.035 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -64.7 | -34.6 | -177.9 | -79.3 | -147.9 | 0 | 0 | 0 | 111.3 | A425 H429 A437 M441 R457 C458 E464 A465 | A425-F461 HydrophobicContact CB-CD1 4.29Å; A425-F461 HydrophobicContact CB-CE1 3.82Å; H429-F461 HydrophobicContact CB-CE1 3.82Å; H429-F461 HydrophobicContact CB-CZ 3.77Å; H429-F461 AromaticContact CD2-CE2 3.76Å; H429-F461 AromaticContact CD2-CZ 3.74Å; H429-F461 AromaticContact CG-CZ 3.78Å; A437-F461 HydrophobicContact CB-CD1 3.84Å; A437-F461 HydrophobicContact CB-CE1 3.91Å; M441-F461 HydrophobicContact CB-CB 4.41Å; M441-F461 HydrophobicContact CB-CD1 3.78Å; M441-F461 HydrophobicContact CB-CE1 4.44Å; M441-F461 HydrophobicContact CB-CG 4.29Å; M441-F461 HydrophobicContact CE-CD1 4.07Å; M441-F461 HydrophobicContact CE-CE1 3.72Å; M441-F461 HydrophobicContact CE-CZ 3.97Å; M441-F461 HydrophobicContact CG-CD1 4.23Å; M441-F461 HydrophobicContact CG-CG 4.4Å; R457-F461 WeakPolarHBondContact O-CD2 3.43Å; R457-F461 PolarHBondContact O-N 2.93Å; C458-F461 PolarHBondContact O-N 3.44Å; F461-E464 PolarHBondContact O-N 3.4Å; F461-A465 VanDerWaalsContact O-CB 3.22Å; F461-A465 WeakPolarHBondContact O-CB 3.35Å; F461-A465 PolarHBondContact O-N 2.82Å |
| 462 | M | 97.3 | Very high | 95.2 | Very high | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.005 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -63.4 | -38.8 | 172.3 | -73 | 174.1 | 171 | 0 | 0 | 112.2 | E442 C458 T459 K460 A465 H466 R467 D470 A471 M474 | E442-M462 HydrophobicContact CB-CE 4.25Å; E442-M462 HydrophobicContact CG-CE 4.06Å; C458-M462 WeakPolarHBondContact O-CG 3.3Å; C458-M462 PolarHBondContact O-N 3.24Å; T459-M462 PolarHBondContact O-N 3.16Å; K460-M462 VanDerWaalsContact C-N 3.27Å; K460-M462 PolarHBondContact O-N 2.97Å; M462-A465 PolarHBondContact O-N 3.45Å; M462-H466 PolarHBondContact O-N 2.84Å; M462-R467 HydrophobicContact CB-CB 4.22Å; M462-R467 CarbonylContact O-C 3.58Å; M462-R467 WeakPolarHBondContact O-CA 3.23Å; M462-R467 WeakPolarHBondContact O-CB 3.3Å; M462-R467 PolarHBondContact O-N 3.2Å; M462-D470 HydrophobicContact CE-CB 4.32Å; M462-D470 HydrophobicContact CG-CB 4.47Å; M462-D470 HydrophobicContact SD-CB 3.78Å; M462-A471 HydrophobicContact CB-CB 3.77Å; M462-M474 HydrophobicContact CE-CE 3.76Å; M462-M474 HydrophobicContact SD-CB 3.86Å; M462-M474 HydrophobicContact SD-CE 4.4Å; M462-M474 HydrophobicContact SD-CG 4.35Å |
| 463 | V | 97.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -62.5 | -49.2 | 174.9 | 173.8 | 0 | 0 | 0 | 0 | 111 | T459 K460 A465 H466 L468 A471 F497 D500 N501 A504 | T459-V463 WeakPolarHBondContact O-CG2 3.33Å; T459-V463 PolarHBondContact O-N 3.02Å; T459-V463 VanDerWaalsContact O-N 3.1Å; K460-V463 WeakPolarHBondContact O-CB 3.32Å; K460-V463 PolarHBondContact O-N 2.62Å; V463-A465 VanDerWaalsContact C-N 3.27Å; V463-A465 PolarHBondContact O-N 2.84Å; V463-H466 PolarHBondContact O-N 3.44Å; V463-L468 HydrophobicContact CB-CD2 4.37Å; V463-L468 HydrophobicContact CG1-CD2 4Å; V463-L468 HydrophobicContact CG2-CD2 4.41Å; V463-A471 HydrophobicContact CG2-CB 3.55Å; V463-F497 HydrophobicContact CG2-CE2 4.47Å; V463-D500 HydrophobicContact CG1-CB 3.95Å; V463-D500 WeakPolarHBondContact CG1-O 3.25Å; V463-N501 HydrophobicContact CG1-CB 4.47Å; V463-N501 WeakPolarHBondContact CG2-ND2 3.49Å; V463-A504 HydrophobicContact CG1-CB 4.12Å |
| 464 | E | 95.8 | Very high | 95.3 | Very high | 40 Ų | 40 | 29 Ų | 29 | 19% | 0.187 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -63.8 | -33.1 | 179.1 | -68.7 | 167.1 | 155.8 | 0 | 0 | 112.2 | H429 Y434 K460 F461 H466 | H429-E464 IonicContact CD2-OE2 3.3Å; H429-E464 IonicContact NE2-OE1 2.91Å; H429-E464 IonicContact NE2-OE2 2.75Å; H429-E464 PolarHBondContact NE2-OE2 3.19Å; Y434-E464 HydrophobicContact CG-CB 4.24Å; K460-E464 WeakPolarHBondContact CE-OE1 3.29Å; K460-E464 IonicContact NZ-OE1 3.56Å; K460-E464 PolarHBondContact O-N 2.84Å; F461-E464 PolarHBondContact O-N 3.4Å; E464-H466 PolarHBondContact O-N 3.37Å |
| 465 | A | 96.1 | Very high | 95.2 | Very high | 2 Ų | 2 | 28.5 Ų | 28.5 | 2% | 0.017 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | 5.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | I435 S438 F461 M462 V463 R467 R872 | I435-A465 HydrophobicContact CG1-CB 4.48Å; S438-A465 WeakPolarHBondContact OG-CB 3.21Å; F461-A465 VanDerWaalsContact O-CB 3.22Å; F461-A465 WeakPolarHBondContact O-CB 3.35Å; F461-A465 PolarHBondContact O-N 2.82Å; M462-A465 PolarHBondContact O-N 3.45Å; V463-A465 VanDerWaalsContact C-N 3.27Å; V463-A465 PolarHBondContact O-N 2.84Å; A465-R467 HydrophobicContact CB-CG 4.41Å; A465-R467 PolarHBondContact O-N 2.77Å; A465-R872 PolarHBondContact O-NE 3.19Å |
| 466 | H | 95.8 | Very high | 95.1 | Very high | 54 Ų | 54 | 31 Ų | 31 | 25% | 0.25 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 66 | 21.2 | -179.7 | -71.8 | -168.5 | 0 | 0 | 0 | 114.3 | M462 V463 E464 L468 M508 | M462-H466 PolarHBondContact O-N 2.84Å; V463-H466 PolarHBondContact O-N 3.44Å; E464-H466 PolarHBondContact O-N 3.37Å; H466-L468 PolarHBondContact O-N 3.18Å; H466-M508 HydrophobicContact CB-CE 3.29Å; H466-M508 VanDerWaalsContact CG-CE 3.49Å; H466-M508 WeakPolarHBondContact O-CE 3.27Å |
| 467 | R | 95.2 | Very high | 94.8 | Very high | 15 Ų | 15 | 34.4 Ų | 34.4 | 6% | 0.057 | 17% | 0.168 | C | C | . | . | trans | -95.6 | 61.1 | 175.7 | -63.1 | 170.8 | 60 | -169.4 | 0.3 | 110.6 | E442 M462 A465 E469 D470 A471 I876 | E442-R467 IonicContact OE1-NH2 2.76Å; E442-R467 PolarHBondContact OE1-NH2 2.94Å; E442-R467 IonicContact OE2-CZ 3.44Å; E442-R467 VanDerWaalsContact OE2-CZ 3.3Å; E442-R467 IonicContact OE2-NH1 3.33Å; E442-R467 PolarHBondContact OE2-NH1 3.13Å; E442-R467 IonicContact OE2-NH2 3.45Å; E442-R467 PolarHBondContact OE2-NH2 3.33Å; M462-R467 HydrophobicContact CB-CB 4.22Å; M462-R467 CarbonylContact O-C 3.58Å; M462-R467 WeakPolarHBondContact O-CA 3.23Å; M462-R467 WeakPolarHBondContact O-CB 3.3Å; M462-R467 PolarHBondContact O-N 3.2Å; A465-R467 HydrophobicContact CB-CG 4.41Å; A465-R467 PolarHBondContact O-N 2.77Å; R467-E469 VanDerWaalsContact C-N 3.34Å; R467-E469 PolarHBondContact O-N 3.41Å; R467-D470 HydrophobicContact CB-CB 4.06Å; R467-D470 IonicContact CZ-OD2 3.69Å; R467-D470 VanDerWaalsContact CZ-OD2 3.25Å; R467-D470 IonicContact NE-OD2 2.77Å; R467-D470 PolarHBondContact NE-OD2 2.98Å; R467-D470 IonicContact NH2-OD2 3.38Å; R467-D470 PolarHBondContact NH2-OD2 2.94Å; R467-D470 PolarHBondContact O-N 3.41Å; R467-A471 WeakPolarHBondContact O-CB 3.28Å; R467-A471 PolarHBondContact O-N 3.16Å; R467-I876 HydrophobicContact CG-CD1 4.38Å | ||
| 468 | L | 95 | Very high | 94.3 | Very high | 18 Ų | 18 | 34.8 Ų | 34.8 | 9% | 0.094 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -65.5 | -32.5 | -169.7 | -58.3 | -176.3 | 0 | 0 | 0 | 114 | V463 H466 V472 A504 L505 M508 | V463-L468 HydrophobicContact CB-CD2 4.37Å; V463-L468 HydrophobicContact CG1-CD2 4Å; V463-L468 HydrophobicContact CG2-CD2 4.41Å; H466-L468 PolarHBondContact O-N 3.18Å; L468-V472 WeakPolarHBondContact O-CG2 3.3Å; L468-V472 PolarHBondContact O-N 3.35Å; L468-A504 HydrophobicContact CD2-CB 3.9Å; L468-L505 HydrophobicContact CD1-CD2 3.69Å; L468-L505 HydrophobicContact CD1-CG 3.99Å; L468-M508 HydrophobicContact CD1-CE 3.9Å; L468-M508 HydrophobicContact CD1-SD 3.84Å; L468-M508 HydrophobicContact CG-CE 3.92Å |
| 469 | E | 93.6 | Very high | 93.8 | Very high | 159 Ų | 159 | 35.8 Ų | 35.8 | 74% | 0.743 | 18% | 0.177 | S | C | * | . | H | α-helix | trans | -71 | -45.5 | 177 | -66.1 | -176.5 | 178 | 0 | 0 | 110.8 | R467 A471 V472 N473 | R467-E469 VanDerWaalsContact C-N 3.34Å; R467-E469 PolarHBondContact O-N 3.41Å; E469-A471 VanDerWaalsContact C-N 3.3Å; E469-A471 PolarHBondContact O-N 2.86Å; E469-V472 WeakPolarHBondContact O-CB 3.39Å; E469-V472 PolarHBondContact O-N 3.05Å; E469-V472 VanDerWaalsContact O-N 3.13Å; E469-N473 PolarHBondContact O-N 3.27Å; E469-N473 PolarHBondContact O-ND2 3.45Å |
| 470 | D | 93.9 | Very high | 93.1 | Very high | 44 Ų | 44 | 44.4 Ų | 44.4 | 24% | 0.235 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -59.9 | -41.7 | 174.6 | -58.2 | -13.8 | 0 | 0 | 0 | 111.2 | M462 R467 V472 N473 M474 | M462-D470 HydrophobicContact CE-CB 4.32Å; M462-D470 HydrophobicContact CG-CB 4.47Å; M462-D470 HydrophobicContact SD-CB 3.78Å; R467-D470 HydrophobicContact CB-CB 4.06Å; R467-D470 IonicContact CZ-OD2 3.69Å; R467-D470 VanDerWaalsContact CZ-OD2 3.25Å; R467-D470 IonicContact NE-OD2 2.77Å; R467-D470 PolarHBondContact NE-OD2 2.98Å; R467-D470 IonicContact NH2-OD2 3.38Å; R467-D470 PolarHBondContact NH2-OD2 2.94Å; R467-D470 PolarHBondContact O-N 3.41Å; D470-V472 VanDerWaalsContact C-N 3.28Å; D470-V472 PolarHBondContact O-N 3.37Å; D470-N473 PolarHBondContact O-N 3.17Å; D470-M474 WeakPolarHBondContact O-CB 3.24Å; D470-M474 PolarHBondContact O-N 3.01Å |
| 471 | A | 95.4 | Very high | 92 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -58.5 | -40.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | T459 M462 V463 R467 E469 M474 A475 | T459-A471 HydrophobicContact CG2-CB 4.26Å; T459-A471 WeakPolarHBondContact CG2-O 3.36Å; T459-A471 PolarHBondContact OG1-O 3.03Å; M462-A471 HydrophobicContact CB-CB 3.77Å; V463-A471 HydrophobicContact CG2-CB 3.55Å; R467-A471 WeakPolarHBondContact O-CB 3.28Å; R467-A471 PolarHBondContact O-N 3.16Å; E469-A471 VanDerWaalsContact C-N 3.3Å; E469-A471 PolarHBondContact O-N 2.86Å; A471-M474 PolarHBondContact O-N 3.03Å; A471-A475 WeakPolarHBondContact O-CB 3.27Å; A471-A475 PolarHBondContact O-N 2.89Å |
| 472 | V | 94.4 | Very high | 91.2 | Very high | 19 Ų | 19 | 51.6 Ų | 51.6 | 12% | 0.115 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -71.2 | -40.5 | 178.6 | 174 | 0 | 0 | 0 | 0 | 110.9 | L468 E469 D470 M474 A475 S476 P485 K486 | L468-V472 WeakPolarHBondContact O-CG2 3.3Å; L468-V472 PolarHBondContact O-N 3.35Å; E469-V472 WeakPolarHBondContact O-CB 3.39Å; E469-V472 PolarHBondContact O-N 3.05Å; E469-V472 VanDerWaalsContact O-N 3.13Å; D470-V472 VanDerWaalsContact C-N 3.28Å; D470-V472 PolarHBondContact O-N 3.37Å; V472-M474 VanDerWaalsContact C-N 3.35Å; V472-A475 WeakPolarHBondContact O-CB 3.45Å; V472-A475 PolarHBondContact O-N 2.92Å; V472-S476 PolarHBondContact O-N 3.32Å; V472-P485 HydrophobicContact CG1-CB 4.18Å; V472-P485 HydrophobicContact CG1-CG 4.19Å; V472-K486 HydrophobicContact CG1-CG 4.13Å; V472-K486 HydrophobicContact CG2-CD 4.11Å; V472-K486 HydrophobicContact CG2-CG 3.82Å |
| 473 | N | 92.9 | Very high | 90.5 | Very high | 86 Ų | 86 | 53.8 Ų | 53.8 | 46% | 0.46 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -64.3 | -40.9 | 174.3 | -67.4 | -24.6 | 0 | 0 | 0 | 111.1 | E469 D470 S476 | E469-N473 PolarHBondContact O-N 3.27Å; E469-N473 PolarHBondContact O-ND2 3.45Å; D470-N473 PolarHBondContact O-N 3.17Å; N473-S476 VanDerWaalsContact O-CB 3.3Å; N473-S476 WeakPolarHBondContact O-CB 3.44Å; N473-S476 PolarHBondContact O-N 3.08Å; N473-S476 PolarHBondContact O-OG 3.38Å |
| 474 | M | 93 | Very high | 90.1 | Very high | 3 Ų | 3 | 56 Ų | 56 | 2% | 0.015 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -64.4 | -42.8 | 174.2 | -172.9 | 58.3 | 67.5 | 0 | 0 | 111.2 | Q445 C458 T459 M462 D470 A471 V472 S476 K477 | Q445-M474 HydrophobicContact CG-CE 4.02Å; Q445-M474 HydrophobicContact CG-SD 3.76Å; C458-M474 HydrophobicContact CB-CG 4.12Å; C458-M474 HydrophobicContact CB-SD 4.47Å; T459-M474 WeakPolarHBondContact OG1-CG 3.48Å; M462-M474 HydrophobicContact CE-CE 3.76Å; M462-M474 HydrophobicContact SD-CB 3.86Å; M462-M474 HydrophobicContact SD-CE 4.4Å; M462-M474 HydrophobicContact SD-CG 4.35Å; D470-M474 WeakPolarHBondContact O-CB 3.24Å; D470-M474 PolarHBondContact O-N 3.01Å; A471-M474 PolarHBondContact O-N 3.03Å; V472-M474 VanDerWaalsContact C-N 3.35Å; M474-S476 PolarHBondContact O-N 3.23Å; M474-K477 WeakPolarHBondContact O-CB 3.33Å; M474-K477 PolarHBondContact O-N 2.87Å; M474-K477 HydrophobicContact SD-CD 3.78Å |
| 475 | A | 92.7 | Very high | 89.7 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -59.4 | -36.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | T459 A471 V472 K477 F478 T479 P485 L489 | T459-A475 HydrophobicContact CG2-CB 4.2Å; T459-A475 PolarHBondContact OG1-N 3.1Å; A471-A475 WeakPolarHBondContact O-CB 3.27Å; A471-A475 PolarHBondContact O-N 2.89Å; V472-A475 WeakPolarHBondContact O-CB 3.45Å; V472-A475 PolarHBondContact O-N 2.92Å; A475-K477 PolarHBondContact O-N 3.31Å; A475-F478 HydrophobicContact CB-CE1 4.44Å; A475-F478 HydrophobicContact CB-CZ 4.08Å; A475-F478 PolarHBondContact O-N 2.81Å; A475-T479 WeakPolarHBondContact O-CG2 3.39Å; A475-T479 PolarHBondContact O-N 3.46Å; A475-T479 VanDerWaalsContact O-N 3.07Å; A475-T479 PolarHBondContact O-OG1 3.14Å; A475-P485 HydrophobicContact CB-CB 4.2Å; A475-L489 HydrophobicContact CB-CD1 3.84Å |
| 476 | S | 91.6 | Very high | 89.4 | Confident | 58 Ų | 58 | 60.2 Ų | 60.2 | 41% | 0.406 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -55 | -27.2 | 179.8 | 84.8 | 0 | 0 | 0 | 0 | 113.6 | V472 N473 M474 F478 T479 | V472-S476 PolarHBondContact O-N 3.32Å; N473-S476 VanDerWaalsContact O-CB 3.3Å; N473-S476 WeakPolarHBondContact O-CB 3.44Å; N473-S476 PolarHBondContact O-N 3.08Å; N473-S476 PolarHBondContact O-OG 3.38Å; M474-S476 PolarHBondContact O-N 3.23Å; S476-F478 PolarHBondContact O-N 3.27Å; S476-T479 WeakPolarHBondContact CA-OG1 3.46Å |
| 477 | K | 87 | Confident | 89 | Confident | 100 Ų | 100 | 61.5 Ų | 61.5 | 44% | 0.435 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -23.6 | 179 | -59.9 | -173.9 | -174.9 | 179.7 | 0 | 113.4 | M474 A475 | M474-K477 WeakPolarHBondContact O-CB 3.33Å; M474-K477 PolarHBondContact O-N 2.87Å; M474-K477 HydrophobicContact SD-CD 3.78Å; A475-K477 PolarHBondContact O-N 3.31Å |
| 478 | F | 85 | Confident | 88.8 | Confident | 50 Ų | 50 | 63.5 Ų | 63.5 | 22% | 0.219 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -126.3 | -1.6 | -178.3 | 58.7 | -93.9 | 0 | 0 | 0 | 114.7 | N455 A456 A475 S476 L489 | N455-F478 HydrophobicContact CB-CD1 3.66Å; N455-F478 HydrophobicContact CB-CE1 3.85Å; A456-F478 HydrophobicContact CB-CZ 4.3Å; A475-F478 HydrophobicContact CB-CE1 4.44Å; A475-F478 HydrophobicContact CB-CZ 4.08Å; A475-F478 PolarHBondContact O-N 2.81Å; S476-F478 PolarHBondContact O-N 3.27Å; F478-L489 HydrophobicContact CE2-CD2 4.45Å |
| 479 | T | 87.1 | Confident | 88.7 | Confident | 22 Ų | 22 | 63.2 Ų | 63.2 | 14% | 0.135 | 33% | 0.329 | C | S | . | . | trans | -83.1 | 157.8 | 165.1 | 60 | 0 | 0 | 0 | 0 | 111.5 | A475 S476 P485 Y488 L489 | A475-T479 WeakPolarHBondContact O-CG2 3.39Å; A475-T479 PolarHBondContact O-N 3.46Å; A475-T479 VanDerWaalsContact O-N 3.07Å; A475-T479 PolarHBondContact O-OG1 3.14Å; S476-T479 WeakPolarHBondContact CA-OG1 3.46Å; T479-P485 HydrophobicContact CG2-CB 4.03Å; T479-Y488 VanDerWaalsContact CB-CD1 3.45Å; T479-Y488 HydrophobicContact CG2-CD1 3.35Å; T479-Y488 HydrophobicContact CG2-CE1 3.99Å; T479-Y488 HydrophobicContact CG2-CG 4.06Å; T479-L489 HydrophobicContact CG2-CD1 4.37Å; T479-L489 HydrophobicContact CG2-CD2 4.17Å; T479-L489 HydrophobicContact CG2-CG 3.91Å | ||
| 480 | R | 80.8 | Confident | 88.5 | Confident | 180 Ų | 180 | 56.6 Ų | 56.6 | 68% | 0.679 | 30% | 0.3 | S | S | * | . | trans | -133.3 | 156.1 | -179.6 | -65.1 | -179.5 | 177.2 | -176.1 | -3.9 | 110.7 | Y488 | R480-Y488 HydrophobicContact CB-CE2 4.34Å; R480-Y488 WeakPolarHBondContact O-CD2 3.22Å; R480-Y488 WeakPolarHBondContact O-CE2 3.35Å | ||
| 481 | G | 74.8 | Confident | 88.2 | Confident | 64 Ų | 64 | 59.5 Ų | 59.5 | 66% | 0.66 | 31% | 0.312 | S | S | * | . | S | Bend | trans | 110.1 | -174.6 | 170.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | T483 | G481-T483 VanDerWaalsContact C-N 3.34Š|
| 482 | N | 80.3 | Confident | 88 | Confident | 168 Ų | 168 | 64.6 Ų | 64.6 | 90% | 0.898 | 34% | 0.337 | S | S | * | . | S | Bend | trans | -90.2 | -0.8 | -177.2 | -62.2 | -18.3 | 0 | 0 | 0 | 112.8 | ||
| 483 | T | 83.6 | Confident | 87.9 | Confident | 48 Ų | 48 | 67 Ų | 67 | 29% | 0.294 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -91.6 | 161 | 178.4 | 50 | 0 | 0 | 0 | 0 | 110.8 | G481 | G481-T483 VanDerWaalsContact C-N 3.34Š|
| 484 | S | 88.3 | Confident | 88 | Confident | 47 Ų | 47 | 63.9 Ų | 63.9 | 33% | 0.329 | 33% | 0.332 | S | S | . | . | trans | -65.3 | 155.2 | 174.1 | 67.1 | 0 | 0 | 0 | 0 | 111 | K486 E487 Y488 | S484-K486 PolarHBondContact O-N 3.39Å; S484-K486 VanDerWaalsContact O-N 3.14Å; S484-E487 WeakPolarHBondContact CB-OE2 3.29Å; S484-E487 PolarHBondContact N-OE2 3Å; S484-E487 PolarHBondContact O-N 3.44Å; S484-E487 VanDerWaalsContact O-N 3.1Å; S484-E487 WeakPolarHBondContact OG-CB 3.21Å; S484-E487 VanDerWaalsContact OG-CG 3.24Å; S484-E487 WeakPolarHBondContact OG-CG 3.17Å; S484-E487 PolarHBondContact OG-N 3.44Å; S484-E487 PolarHBondContact OG-OE2 3.34Å; S484-Y488 PolarHBondContact O-N 2.94Å | ||
| 485 | P | 87.6 | Confident | 88 | Confident | 24 Ų | 24 | 65.1 Ų | 65.1 | 16% | 0.156 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -56.9 | -32.6 | 177.1 | -24.9 | 33.1 | 0 | 0 | 0 | 113.1 | V472 A475 T479 L489 | V472-P485 HydrophobicContact CG1-CB 4.18Å; V472-P485 HydrophobicContact CG1-CG 4.19Å; A475-P485 HydrophobicContact CB-CB 4.2Å; T479-P485 HydrophobicContact CG2-CB 4.03Å; P485-L489 WeakPolarHBondContact O-CB 3.41Å; P485-L489 VanDerWaalsContact O-CG 3.23Å; P485-L489 WeakPolarHBondContact O-CG 3.16Å; P485-L489 PolarHBondContact O-N 3.4Å |
| 486 | K | 89 | Confident | 88.1 | Confident | 105 Ų | 105 | 69.3 Ų | 69.3 | 46% | 0.457 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -64.5 | -50.3 | 175.2 | -68.4 | -173 | -178.3 | -177.7 | 0 | 111.8 | V472 S484 Y488 L489 S490 | V472-K486 HydrophobicContact CG1-CG 4.13Å; V472-K486 HydrophobicContact CG2-CD 4.11Å; V472-K486 HydrophobicContact CG2-CG 3.82Å; S484-K486 PolarHBondContact O-N 3.39Å; S484-K486 VanDerWaalsContact O-N 3.14Å; K486-Y488 VanDerWaalsContact C-N 3.35Å; K486-L489 PolarHBondContact O-N 2.92Å; K486-S490 WeakPolarHBondContact O-CB 3.37Å; K486-S490 PolarHBondContact O-N 3.3Å |
| 487 | E | 88.2 | Confident | 88.3 | Confident | 82 Ų | 82 | 66.9 Ų | 66.9 | 38% | 0.383 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -62.5 | -44.8 | 177.9 | -72.6 | 159.6 | 166.7 | 0 | 0 | 110.4 | S484 L489 S490 E491 | S484-E487 WeakPolarHBondContact CB-OE2 3.29Å; S484-E487 PolarHBondContact N-OE2 3Å; S484-E487 PolarHBondContact O-N 3.44Å; S484-E487 VanDerWaalsContact O-N 3.1Å; S484-E487 WeakPolarHBondContact OG-CB 3.21Å; S484-E487 VanDerWaalsContact OG-CG 3.24Å; S484-E487 WeakPolarHBondContact OG-CG 3.17Å; S484-E487 PolarHBondContact OG-N 3.44Å; S484-E487 PolarHBondContact OG-OE2 3.34Å; E487-L489 PolarHBondContact O-N 3.01Å; E487-S490 PolarHBondContact O-N 3.41Å; E487-E491 WeakPolarHBondContact O-CB 2.96Å; E487-E491 WeakPolarHBondContact O-CG 3.39Å; E487-E491 PolarHBondContact O-N 3.42Å |
| 488 | Y | 90.7 | Very high | 88.7 | Confident | 56 Ų | 56 | 62.3 Ų | 62.3 | 22% | 0.22 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -57.4 | -46.9 | 176 | -177.9 | -90.9 | 0 | 0 | 0 | 112.2 | T479 R480 S484 K486 S490 E491 M492 | T479-Y488 VanDerWaalsContact CB-CD1 3.45Å; T479-Y488 HydrophobicContact CG2-CD1 3.35Å; T479-Y488 HydrophobicContact CG2-CE1 3.99Å; T479-Y488 HydrophobicContact CG2-CG 4.06Å; R480-Y488 HydrophobicContact CB-CE2 4.34Å; R480-Y488 WeakPolarHBondContact O-CD2 3.22Å; R480-Y488 WeakPolarHBondContact O-CE2 3.35Å; S484-Y488 PolarHBondContact O-N 2.94Å; K486-Y488 VanDerWaalsContact C-N 3.35Å; Y488-S490 VanDerWaalsContact C-N 3.34Å; Y488-S490 PolarHBondContact O-N 2.99Å; Y488-E491 PolarHBondContact O-N 2.86Å; Y488-M492 HydrophobicContact CD1-CG 3.97Å; Y488-M492 HydrophobicContact CE1-CG 3.59Å; Y488-M492 HydrophobicContact CE2-CG 4.27Å; Y488-M492 WeakPolarHBondContact O-CB 3.48Å; Y488-M492 VanDerWaalsContact O-CG 3.25Å; Y488-M492 WeakPolarHBondContact O-CG 3.39Å; Y488-M492 PolarHBondContact O-N 3.09Å |
| 489 | L | 92 | Very high | 89.2 | Confident | 13 Ų | 13 | 60.2 Ų | 60.2 | 7% | 0.068 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -68.8 | -32.7 | 179.9 | -73 | 171.7 | 0 | 0 | 0 | 112.7 | A475 F478 T479 P485 K486 E487 Q493 C494 F497 | A475-L489 HydrophobicContact CB-CD1 3.84Å; F478-L489 HydrophobicContact CE2-CD2 4.45Å; T479-L489 HydrophobicContact CG2-CD1 4.37Å; T479-L489 HydrophobicContact CG2-CD2 4.17Å; T479-L489 HydrophobicContact CG2-CG 3.91Å; P485-L489 WeakPolarHBondContact O-CB 3.41Å; P485-L489 VanDerWaalsContact O-CG 3.23Å; P485-L489 WeakPolarHBondContact O-CG 3.16Å; P485-L489 PolarHBondContact O-N 3.4Å; K486-L489 PolarHBondContact O-N 2.92Å; E487-L489 PolarHBondContact O-N 3.01Å; L489-Q493 PolarHBondContact O-N 2.57Å; L489-C494 HydrophobicContact CB-CB 4.16Å; L489-C494 HydrophobicContact CD2-CB 4.13Å; L489-C494 WeakPolarHBondContact O-CB 3.44Å; L489-C494 PolarHBondContact O-N 2.99Å; L489-F497 HydrophobicContact CB-CD1 3.97Å; L489-F497 HydrophobicContact CB-CE1 4.29Å; L489-F497 HydrophobicContact CB-CG 4.5Å; L489-F497 HydrophobicContact CD1-CD1 3.79Å; L489-F497 HydrophobicContact CD1-CD2 3.84Å; L489-F497 HydrophobicContact CD1-CE1 3.78Å; L489-F497 HydrophobicContact CD1-CE2 3.83Å; L489-F497 HydrophobicContact CD1-CG 3.82Å; L489-F497 HydrophobicContact CD1-CZ 3.8Å |
| 490 | S | 90.4 | Very high | 89.7 | Confident | 20 Ų | 20 | 59.7 Ų | 59.7 | 14% | 0.14 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -67.1 | -46.1 | 171.1 | -170.9 | 0 | 0 | 0 | 0 | 110.8 | K486 E487 Y488 M492 Q493 E520 H524 | K486-S490 WeakPolarHBondContact O-CB 3.37Å; K486-S490 PolarHBondContact O-N 3.3Å; E487-S490 PolarHBondContact O-N 3.41Å; Y488-S490 VanDerWaalsContact C-N 3.34Å; Y488-S490 PolarHBondContact O-N 2.99Å; S490-M492 VanDerWaalsContact C-N 3.31Å; S490-M492 PolarHBondContact O-N 3.26Å; S490-Q493 WeakPolarHBondContact O-CA 3.5Å; S490-Q493 PolarHBondContact O-N 2.95Å; S490-E520 PolarHBondContact OG-OE2 3.46Å; S490-H524 PolarHBondContact O-CE1 3.39Å; S490-H524 PolarHBondContact O-NE2 2.74Å; S490-H524 VanDerWaalsContact O-NE2 3.15Å |
| 491 | E | 88.6 | Confident | 90.5 | Very high | 105 Ų | 105 | 51.3 Ų | 51.3 | 49% | 0.491 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -60.3 | -38.4 | 175.6 | -74.5 | 176.7 | 177.1 | 0 | 0 | 112.9 | E487 Y488 Q493 | E487-E491 WeakPolarHBondContact O-CB 2.96Å; E487-E491 WeakPolarHBondContact O-CG 3.39Å; E487-E491 PolarHBondContact O-N 3.42Å; Y488-E491 PolarHBondContact O-N 2.86Å; E491-Q493 PolarHBondContact O-N 2.77Å |
| 492 | M | 90.5 | Very high | 91.6 | Very high | 107 Ų | 107 | 48.3 Ų | 48.3 | 53% | 0.527 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77 | 5.2 | 174 | -64.4 | -60.8 | 99.6 | 0 | 0 | 113.3 | Y488 S490 C494 | Y488-M492 HydrophobicContact CD1-CG 3.97Å; Y488-M492 HydrophobicContact CE1-CG 3.59Å; Y488-M492 HydrophobicContact CE2-CG 4.27Å; Y488-M492 WeakPolarHBondContact O-CB 3.48Å; Y488-M492 VanDerWaalsContact O-CG 3.25Å; Y488-M492 WeakPolarHBondContact O-CG 3.39Å; Y488-M492 PolarHBondContact O-N 3.09Å; S490-M492 VanDerWaalsContact C-N 3.31Å; S490-M492 PolarHBondContact O-N 3.26Å; M492-C494 VanDerWaalsContact C-N 3.3Å; M492-C494 PolarHBondContact O-N 3.22Å |
| 493 | Q | 92.6 | Very high | 92.4 | Very high | 69 Ų | 69 | 44.3 Ų | 44.3 | 32% | 0.322 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.8 | 39.4 | 176.8 | -52.3 | 175.5 | -5.9 | 0 | 0 | 112.8 | L489 S490 E491 M495 H524 | L489-Q493 PolarHBondContact O-N 2.57Å; S490-Q493 WeakPolarHBondContact O-CA 3.5Å; S490-Q493 PolarHBondContact O-N 2.95Å; E491-Q493 PolarHBondContact O-N 2.77Å; Q493-M495 VanDerWaalsContact C-N 3.3Å; Q493-M495 PolarHBondContact O-N 3.01Å; Q493-H524 HydrophobicContact CG-CB 4.45Å |
| 494 | C | 93.7 | Very high | 93 | Very high | 21 Ų | 21 | 42.2 Ų | 42.2 | 14% | 0.142 | 20% | 0.201 | C | C | . | . | trans | -74.3 | 78.6 | -178.5 | -167.2 | 0 | 0 | 0 | 0 | 111.4 | L489 M492 W496 F497 L498 | L489-C494 HydrophobicContact CB-CB 4.16Å; L489-C494 HydrophobicContact CD2-CB 4.13Å; L489-C494 WeakPolarHBondContact O-CB 3.44Å; L489-C494 PolarHBondContact O-N 2.99Å; M492-C494 VanDerWaalsContact C-N 3.3Å; M492-C494 PolarHBondContact O-N 3.22Å; C494-W496 VanDerWaalsContact C-N 3.34Å; C494-W496 PolarHBondContact O-N 3.22Å; C494-W496 PolarHBondContact SG-NE1 3.07Å; C494-F497 HydrophobicContact CB-CB 4.19Å; C494-F497 PolarHBondContact O-N 2.89Å; C494-F497 VanDerWaalsContact O-N 3.1Å; C494-L498 PolarHBondContact O-N 2.88Å | ||
| 495 | M | 94 | Very high | 93.4 | Very high | 29 Ų | 29 | 40.5 Ų | 40.5 | 14% | 0.143 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -55.4 | -42.9 | -171.2 | -60 | -63.1 | -173.7 | 0 | 0 | 113.9 | Q493 F497 L498 L499 V521 H524 Y525 | Q493-M495 VanDerWaalsContact C-N 3.3Å; Q493-M495 PolarHBondContact O-N 3.01Å; M495-F497 VanDerWaalsContact C-N 3.32Å; M495-F497 PolarHBondContact O-N 3.44Å; M495-L498 PolarHBondContact O-N 3.42Å; M495-L499 VanDerWaalsContact O-CB 3.23Å; M495-L499 WeakPolarHBondContact O-CB 3.43Å; M495-L499 PolarHBondContact O-N 3.18Å; M495-V521 HydrophobicContact SD-CB 4.28Å; M495-V521 HydrophobicContact SD-CG1 3.73Å; M495-V521 HydrophobicContact SD-CG2 4.12Å; M495-H524 HydrophobicContact CE-CB 3.36Å; M495-H524 HydrophobicContact SD-CB 4.19Å; M495-Y525 HydrophobicContact CE-CD2 4.16Å; M495-Y525 HydrophobicContact CE-CE2 3.98Å; M495-Y525 HydrophobicContact SD-CE2 4.31Å |
| 496 | W | 93.6 | Very high | 93.8 | Very high | 88 Ų | 88 | 40.7 Ų | 40.7 | 33% | 0.333 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -64.3 | -38.9 | -179 | 73.3 | -98.5 | 0 | 0 | 0 | 111.2 | T459 K460 C494 L499 D500 | T459-W496 HydrophobicContact CG2-CH2 4.14Å; K460-W496 HydrophobicContact CB-CE3 4.36Å; K460-W496 HydrophobicContact CB-CH2 4.03Å; K460-W496 HydrophobicContact CB-CZ3 3.61Å; K460-W496 HydrophobicContact CD-CE3 4.32Å; K460-W496 HydrophobicContact CD-CZ3 4.4Å; K460-W496 HydrophobicContact CG-CE3 4.32Å; K460-W496 HydrophobicContact CG-CZ3 3.99Å; C494-W496 VanDerWaalsContact C-N 3.34Å; C494-W496 PolarHBondContact O-N 3.22Å; C494-W496 PolarHBondContact SG-NE1 3.07Å; W496-L499 PolarHBondContact O-N 2.84Å; W496-D500 VanDerWaalsContact O-CB 3.31Å; W496-D500 WeakPolarHBondContact O-CB 3.17Å; W496-D500 VanDerWaalsContact O-CG 3.31Å; W496-D500 PolarHBondContact O-N 3.47Å |
| 497 | F | 95.5 | Very high | 94 | Very high | 6 Ų | 6 | 39.1 Ų | 39.1 | 3% | 0.026 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -66 | -44.5 | -179.5 | 178.3 | -96.4 | 0 | 0 | 0 | 110.8 | T459 V463 L489 C494 M495 N501 | T459-F497 HydrophobicContact CG2-CD2 3.96Å; T459-F497 HydrophobicContact CG2-CE2 3.75Å; V463-F497 HydrophobicContact CG2-CE2 4.47Å; L489-F497 HydrophobicContact CB-CD1 3.97Å; L489-F497 HydrophobicContact CB-CE1 4.29Å; L489-F497 HydrophobicContact CB-CG 4.5Å; L489-F497 HydrophobicContact CD1-CD1 3.79Å; L489-F497 HydrophobicContact CD1-CD2 3.84Å; L489-F497 HydrophobicContact CD1-CE1 3.78Å; L489-F497 HydrophobicContact CD1-CE2 3.83Å; L489-F497 HydrophobicContact CD1-CG 3.82Å; L489-F497 HydrophobicContact CD1-CZ 3.8Å; C494-F497 HydrophobicContact CB-CB 4.19Å; C494-F497 PolarHBondContact O-N 2.89Å; C494-F497 VanDerWaalsContact O-N 3.1Å; M495-F497 VanDerWaalsContact C-N 3.32Å; M495-F497 PolarHBondContact O-N 3.44Å; F497-N501 WeakPolarHBondContact CE2-ND2 3.5Å; F497-N501 WeakPolarHBondContact CZ-ND2 3.44Å; F497-N501 VanDerWaalsContact O-CB 3.3Å; F497-N501 WeakPolarHBondContact O-CB 3.41Å; F497-N501 PolarHBondContact O-N 3.5Å; F497-N501 VanDerWaalsContact O-N 3.07Å; F497-N501 PolarHBondContact O-ND2 3.41Å |
| 498 | L | 96.1 | Very high | 94.2 | Very high | 4 Ų | 4 | 38.5 Ų | 38.5 | 2% | 0.021 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -63 | -46.5 | 176.5 | -60.8 | 175.8 | 0 | 0 | 0 | 111.3 | C494 M495 A502 L517 E520 V521 H524 | C494-L498 PolarHBondContact O-N 2.88Å; M495-L498 PolarHBondContact O-N 3.42Å; L498-A502 VanDerWaalsContact O-CB 3.3Å; L498-A502 WeakPolarHBondContact O-CB 3.47Å; L498-A502 PolarHBondContact O-N 3.26Å; L498-L517 HydrophobicContact CD2-CD2 3.93Å; L498-E520 HydrophobicContact CD1-CB 4.41Å; L498-V521 HydrophobicContact CB-CG2 3.68Å; L498-V521 HydrophobicContact CD1-CG2 3.76Å; L498-V521 HydrophobicContact CG-CG2 4.39Å; L498-H524 WeakPolarHBondContact CD1-NE2 3.47Å |
| 499 | L | 96.7 | Very high | 94.3 | Very high | 7 Ų | 7 | 37.7 Ų | 37.7 | 4% | 0.037 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -65.2 | -47.1 | -178.7 | 174.9 | 60.5 | 0 | 0 | 0 | 112.6 | M495 W496 A502 R503 D566 L570 | M495-L499 VanDerWaalsContact O-CB 3.23Å; M495-L499 WeakPolarHBondContact O-CB 3.43Å; M495-L499 PolarHBondContact O-N 3.18Å; W496-L499 PolarHBondContact O-N 2.84Å; L499-A502 WeakPolarHBondContact O-CB 3.38Å; L499-A502 PolarHBondContact O-N 2.87Å; L499-A502 VanDerWaalsContact O-N 3.15Å; L499-R503 WeakPolarHBondContact O-CG 2.82Å; L499-R503 PolarHBondContact O-N 2.78Å; L499-D566 HydrophobicContact CD1-CB 4.14Å; L499-D566 HydrophobicContact CD2-CB 3.51Å; L499-D566 HydrophobicContact CG-CB 4.45Å; L499-L570 HydrophobicContact CD1-CD2 4.01Å |
| 500 | D | 96.3 | Very high | 94.5 | Very high | 10 Ų | 10 | 42.8 Ų | 42.8 | 5% | 0.053 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -69.5 | -37.3 | -178.4 | -68.6 | -18.2 | 0 | 0 | 0 | 110.8 | K460 V463 W496 A502 R503 A504 | K460-D500 WeakPolarHBondContact CE-OD2 3.5Å; K460-D500 IonicContact NZ-OD2 3.09Å; V463-D500 HydrophobicContact CG1-CB 3.95Å; V463-D500 WeakPolarHBondContact CG1-O 3.25Å; W496-D500 VanDerWaalsContact O-CB 3.31Å; W496-D500 WeakPolarHBondContact O-CB 3.17Å; W496-D500 VanDerWaalsContact O-CG 3.31Å; W496-D500 PolarHBondContact O-N 3.47Å; D500-A502 VanDerWaalsContact C-N 3.33Å; D500-A502 PolarHBondContact O-N 3.37Å; D500-R503 PolarHBondContact O-N 2.82Å; D500-R503 IonicContact OD1-CZ 3.55Å; D500-R503 IonicContact OD1-NH1 2.61Å; D500-R503 PolarHBondContact OD1-NH1 3.28Å; D500-A504 PolarHBondContact O-N 3.49Å |
| 501 | N | 97.4 | Very high | 94.8 | Very high | 5 Ų | 5 | 43 Ų | 43 | 3% | 0.027 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -62.5 | -41 | 169.8 | -85.1 | -95.9 | 0 | 0 | 0 | 111.1 | V463 F497 R503 A504 L505 L517 | V463-N501 HydrophobicContact CG1-CB 4.47Å; V463-N501 WeakPolarHBondContact CG2-ND2 3.49Å; F497-N501 WeakPolarHBondContact CE2-ND2 3.5Å; F497-N501 WeakPolarHBondContact CZ-ND2 3.44Å; F497-N501 VanDerWaalsContact O-CB 3.3Å; F497-N501 WeakPolarHBondContact O-CB 3.41Å; F497-N501 PolarHBondContact O-N 3.5Å; F497-N501 VanDerWaalsContact O-N 3.07Å; F497-N501 PolarHBondContact O-ND2 3.41Å; N501-R503 VanDerWaalsContact C-N 3.34Å; N501-R503 PolarHBondContact O-N 2.98Å; N501-A504 PolarHBondContact O-N 3.49Å; N501-L505 VanDerWaalsContact O-CB 3.3Å; N501-L505 WeakPolarHBondContact O-CB 3.38Å; N501-L505 WeakPolarHBondContact O-CD1 3.49Å; N501-L505 WeakPolarHBondContact O-CG 3.47Å; N501-L505 PolarHBondContact O-N 3.37Å; N501-L517 HydrophobicContact CB-CD1 3.56Å |
| 502 | A | 98 | Very high | 95.1 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -62.6 | -40.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | L498 L499 D500 L505 K506 A514 L517 L570 | L498-A502 VanDerWaalsContact O-CB 3.3Å; L498-A502 WeakPolarHBondContact O-CB 3.47Å; L498-A502 PolarHBondContact O-N 3.26Å; L499-A502 WeakPolarHBondContact O-CB 3.38Å; L499-A502 PolarHBondContact O-N 2.87Å; L499-A502 VanDerWaalsContact O-N 3.15Å; D500-A502 VanDerWaalsContact C-N 3.33Å; D500-A502 PolarHBondContact O-N 3.37Å; A502-L505 PolarHBondContact O-N 2.89Å; A502-K506 WeakPolarHBondContact O-CB 3.3Å; A502-K506 PolarHBondContact O-N 2.75Å; A502-A514 HydrophobicContact CB-CB 4.49Å; A502-A514 VanDerWaalsContact O-CB 3.29Å; A502-A514 WeakPolarHBondContact O-CB 3.39Å; A502-L517 HydrophobicContact CB-CB 3.94Å; A502-L517 HydrophobicContact CB-CD1 4.23Å; A502-L570 HydrophobicContact CB-CD2 3.51Å |
| 503 | R | 97.1 | Very high | 95.4 | Very high | 85 Ų | 85 | 35.8 Ų | 35.8 | 32% | 0.321 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -62.1 | -50.6 | 174.6 | -71.9 | 174.4 | 176.5 | 144.2 | -7 | 111.4 | L499 D500 N501 L505 K506 D507 D566 L570 | L499-R503 WeakPolarHBondContact O-CG 2.82Å; L499-R503 PolarHBondContact O-N 2.78Å; D500-R503 PolarHBondContact O-N 2.82Å; D500-R503 IonicContact OD1-CZ 3.55Å; D500-R503 IonicContact OD1-NH1 2.61Å; D500-R503 PolarHBondContact OD1-NH1 3.28Å; N501-R503 VanDerWaalsContact C-N 3.34Å; N501-R503 PolarHBondContact O-N 2.98Å; R503-L505 VanDerWaalsContact C-N 3.32Å; R503-L505 PolarHBondContact O-N 3.33Å; R503-K506 WeakPolarHBondContact O-CB 3.2Å; R503-K506 PolarHBondContact O-N 3.44Å; R503-D507 PolarHBondContact O-N 3.36Å; R503-D566 IonicContact CZ-OD2 3.33Å; R503-D566 IonicContact NH2-OD1 2.71Å; R503-D566 IonicContact NH2-OD2 3.64Å; R503-D566 PolarHBondContact NH2-OD2 3.03Å; R503-L570 HydrophobicContact CG-CD1 4.23Å; R503-L570 HydrophobicContact CG-CD2 3.88Å |
| 504 | A | 96.7 | Very high | 95.6 | Very high | 4 Ų | 4 | 32.5 Ų | 32.5 | 3% | 0.033 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -59.6 | -42.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | V463 L468 D500 N501 K506 D507 M508 | V463-A504 HydrophobicContact CG1-CB 4.12Å; L468-A504 HydrophobicContact CD2-CB 3.9Å; D500-A504 PolarHBondContact O-N 3.49Å; N501-A504 PolarHBondContact O-N 3.49Å; A504-K506 PolarHBondContact O-N 2.81Å; A504-D507 PolarHBondContact O-N 3.17Å; A504-M508 WeakPolarHBondContact O-CB 3.34Å; A504-M508 WeakPolarHBondContact O-CG 3.29Å; A504-M508 PolarHBondContact O-N 2.92Å |
| 505 | L | 97.6 | Very high | 95.9 | Very high | 11 Ų | 11 | 31.5 Ų | 31.5 | 6% | 0.058 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -64.2 | -40 | 176.6 | -73.2 | 165.7 | 0 | 0 | 0 | 112.5 | L468 N501 A502 R503 M508 G509 R510 D513 A514 L517 | L468-L505 HydrophobicContact CD1-CD2 3.69Å; L468-L505 HydrophobicContact CD1-CG 3.99Å; N501-L505 VanDerWaalsContact O-CB 3.3Å; N501-L505 WeakPolarHBondContact O-CB 3.38Å; N501-L505 WeakPolarHBondContact O-CD1 3.49Å; N501-L505 WeakPolarHBondContact O-CG 3.47Å; N501-L505 PolarHBondContact O-N 3.37Å; A502-L505 PolarHBondContact O-N 2.89Å; R503-L505 VanDerWaalsContact C-N 3.32Å; R503-L505 PolarHBondContact O-N 3.33Å; L505-M508 CarbonylContact O-C 3.47Å; L505-M508 PolarHBondContact O-N 3.04Å; L505-G509 PolarHBondContact O-N 2.75Å; L505-R510 HydrophobicContact CB-CB 4.3Å; L505-R510 HydrophobicContact CD2-CB 4.04Å; L505-R510 VanDerWaalsContact CD2-CZ 3.44Å; L505-R510 WeakPolarHBondContact O-CA 3.31Å; L505-R510 WeakPolarHBondContact O-CB 3.15Å; L505-R510 PolarHBondContact O-N 2.73Å; L505-D513 HydrophobicContact CD1-CB 3.87Å; L505-D513 HydrophobicContact CD2-CB 4.16Å; L505-D513 HydrophobicContact CG-CB 4.48Å; L505-A514 HydrophobicContact CB-CB 3.91Å; L505-L517 HydrophobicContact CD1-CD1 3.65Å |
| 506 | K | 96 | Very high | 96 | Very high | 27 Ų | 27 | 32 Ų | 32 | 12% | 0.117 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -60.9 | -46.8 | 172.4 | 171 | -169.2 | 162.5 | -161.3 | 0 | 111 | A502 R503 A504 M508 G509 F511 A514 L570 E573 I574 | A502-K506 WeakPolarHBondContact O-CB 3.3Å; A502-K506 PolarHBondContact O-N 2.75Å; R503-K506 WeakPolarHBondContact O-CB 3.2Å; R503-K506 PolarHBondContact O-N 3.44Å; A504-K506 PolarHBondContact O-N 2.81Å; K506-M508 PolarHBondContact O-N 3.34Å; K506-G509 WeakPolarHBondContact O-CA 3.4Å; K506-G509 PolarHBondContact O-N 3.19Å; K506-F511 HydrophobicContact CG-CE1 4.33Å; K506-A514 HydrophobicContact CB-CB 4.25Å; K506-L570 HydrophobicContact CB-CD1 4.29Å; K506-L570 HydrophobicContact CD-CD1 3.28Å; K506-L570 HydrophobicContact CG-CD1 4.39Å; K506-E573 IonicContact NZ-OE2 3.1Å; K506-E573 PolarHBondContact NZ-OE2 3.02Å; K506-I574 HydrophobicContact CB-CD1 4.18Å; K506-I574 HydrophobicContact CB-CG1 4.42Å; K506-I574 HydrophobicContact CD-CD1 4.3Å; K506-I574 HydrophobicContact CD-CG1 3.91Å; K506-I574 HydrophobicContact CG-CD1 4.32Å; K506-I574 HydrophobicContact CG-CG1 4.01Å |
| 507 | D | 92.7 | Very high | 96.1 | Very high | 72 Ų | 72 | 29.1 Ų | 29.1 | 39% | 0.385 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -64.9 | -28.8 | -179.7 | -72.5 | -8.3 | 0 | 0 | 0 | 111.6 | R503 A504 G509 R823 | R503-D507 PolarHBondContact O-N 3.36Å; A504-D507 PolarHBondContact O-N 3.17Å; D507-G509 VanDerWaalsContact C-N 3.28Å; D507-G509 PolarHBondContact O-N 2.86Å; D507-R823 IonicContact OD1-NH2 2.57Å; D507-R823 IonicContact OD2-CZ 3.2Å; D507-R823 IonicContact OD2-NH2 2.84Å; D507-R823 PolarHBondContact OD2-NH2 3.29Å |
| 508 | M | 92.4 | Very high | 96.2 | Very high | 70 Ų | 70 | 28.9 Ų | 28.9 | 35% | 0.345 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | -1.4 | 169.4 | -66.5 | 172.5 | -178.8 | 0 | 0 | 114.5 | H466 L468 A504 L505 K506 R510 | H466-M508 HydrophobicContact CB-CE 3.29Å; H466-M508 VanDerWaalsContact CG-CE 3.49Å; H466-M508 WeakPolarHBondContact O-CE 3.27Å; L468-M508 HydrophobicContact CD1-CE 3.9Å; L468-M508 HydrophobicContact CD1-SD 3.84Å; L468-M508 HydrophobicContact CG-CE 3.92Å; A504-M508 WeakPolarHBondContact O-CB 3.34Å; A504-M508 WeakPolarHBondContact O-CG 3.29Å; A504-M508 PolarHBondContact O-N 2.92Å; L505-M508 CarbonylContact O-C 3.47Å; L505-M508 PolarHBondContact O-N 3.04Å; K506-M508 PolarHBondContact O-N 3.34Å; M508-R510 VanDerWaalsContact C-N 3.31Å; M508-R510 HydrophobicContact CB-CG 4.38Å; M508-R510 PolarHBondContact O-N 3.43Å |
| 509 | G | 92.5 | Very high | 96.2 | Very high | 38 Ų | 38 | 29.5 Ų | 29.5 | 39% | 0.392 | 15% | 0.148 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 75.9 | 10.7 | -177 | 0 | 0 | 0 | 0 | 0 | 115.2 | L505 K506 D507 F511 | L505-G509 PolarHBondContact O-N 2.75Å; K506-G509 WeakPolarHBondContact O-CA 3.4Å; K506-G509 PolarHBondContact O-N 3.19Å; D507-G509 VanDerWaalsContact C-N 3.28Å; D507-G509 PolarHBondContact O-N 2.86Å; G509-F511 VanDerWaalsContact C-N 3.3Å; G509-F511 WeakPolarHBondContact O-CD2 3.43Å; G509-F511 PolarHBondContact O-N 2.89Å; G509-F511 VanDerWaalsContact O-N 3.14Å |
| 510 | R | 95.6 | Very high | 96.2 | Very high | 120 Ų | 120 | 30.4 Ų | 30.4 | 45% | 0.453 | 15% | 0.151 | S | C | . | . | trans | -88.2 | 63.3 | 178.6 | -65 | 174.6 | 60.1 | 179 | 0.3 | 111.1 | L505 M508 G512 D513 A514 | L505-R510 HydrophobicContact CB-CB 4.3Å; L505-R510 HydrophobicContact CD2-CB 4.04Å; L505-R510 VanDerWaalsContact CD2-CZ 3.44Å; L505-R510 WeakPolarHBondContact O-CA 3.31Å; L505-R510 WeakPolarHBondContact O-CB 3.15Å; L505-R510 PolarHBondContact O-N 2.73Å; M508-R510 VanDerWaalsContact C-N 3.31Å; M508-R510 HydrophobicContact CB-CG 4.38Å; M508-R510 PolarHBondContact O-N 3.43Å; R510-G512 VanDerWaalsContact C-N 3.35Å; R510-G512 PolarHBondContact O-N 3.39Å; R510-D513 HydrophobicContact CB-CB 4.37Å; R510-D513 IonicContact CZ-OD2 3.53Å; R510-D513 IonicContact NE-OD2 3.27Å; R510-D513 PolarHBondContact NE-OD2 3.02Å; R510-D513 IonicContact NH2-OD2 2.99Å; R510-D513 PolarHBondContact NH2-OD2 3.12Å; R510-D513 PolarHBondContact O-N 3.43Å; R510-A514 PolarHBondContact O-N 3Å | ||
| 511 | F | 96.7 | Very high | 96.2 | Very high | 25 Ų | 25 | 30 Ų | 30 | 11% | 0.11 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -58.5 | -40.2 | -172.4 | -57.7 | -59.4 | 0 | 0 | 0 | 114.3 | K506 G509 A514 L515 I574 L578 L583 | K506-F511 HydrophobicContact CG-CE1 4.33Å; G509-F511 VanDerWaalsContact C-N 3.3Å; G509-F511 WeakPolarHBondContact O-CD2 3.43Å; G509-F511 PolarHBondContact O-N 2.89Å; G509-F511 VanDerWaalsContact O-N 3.14Å; F511-A514 PolarHBondContact O-N 3.37Å; F511-L515 WeakPolarHBondContact O-CB 3.49Å; F511-L515 VanDerWaalsContact O-CG 3.31Å; F511-L515 WeakPolarHBondContact O-CG 3.18Å; F511-L515 PolarHBondContact O-N 3.13Å; F511-I574 HydrophobicContact CB-CG2 3.82Å; F511-I574 HydrophobicContact CD1-CG1 4.35Å; F511-I574 HydrophobicContact CD1-CG2 3.83Å; F511-I574 HydrophobicContact CG-CG2 4.13Å; F511-L578 HydrophobicContact CB-CD2 4.35Å; F511-L578 HydrophobicContact CD2-CD2 4.18Å; F511-L578 HydrophobicContact CG-CD2 4.4Å; F511-L583 HydrophobicContact CD2-CD2 4.16Å; F511-L583 HydrophobicContact CE2-CD2 4.45Å |
| 512 | G | 96 | Very high | 96 | Very high | 8 Ų | 8 | 30.6 Ų | 30.6 | 8% | 0.082 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -61.7 | -45.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | R510 L515 K516 A658 | R510-G512 VanDerWaalsContact C-N 3.35Å; R510-G512 PolarHBondContact O-N 3.39Å; G512-L515 PolarHBondContact O-N 3.21Å; G512-K516 PolarHBondContact O-N 2.8Å; G512-A658 WeakPolarHBondContact CA-O 3.44Å |
| 513 | D | 96 | Very high | 95.8 | Very high | 53 Ų | 53 | 32.8 Ų | 32.8 | 28% | 0.283 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -68.5 | -39.9 | 178.5 | -61.3 | -40.9 | 0 | 0 | 0 | 111.1 | L505 R510 K516 L517 A658 | L505-D513 HydrophobicContact CD1-CB 3.87Å; L505-D513 HydrophobicContact CD2-CB 4.16Å; L505-D513 HydrophobicContact CG-CB 4.48Å; R510-D513 HydrophobicContact CB-CB 4.37Å; R510-D513 IonicContact CZ-OD2 3.53Å; R510-D513 IonicContact NE-OD2 3.27Å; R510-D513 PolarHBondContact NE-OD2 3.02Å; R510-D513 IonicContact NH2-OD2 2.99Å; R510-D513 PolarHBondContact NH2-OD2 3.12Å; R510-D513 PolarHBondContact O-N 3.43Å; D513-K516 WeakPolarHBondContact O-CB 3.3Å; D513-K516 PolarHBondContact O-N 3.07Å; D513-L517 PolarHBondContact O-N 3.47Å; D513-A658 WeakPolarHBondContact OD1-CB 3.42Å |
| 514 | A | 98 | Very high | 95.6 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -61.6 | -45.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | A502 L505 K506 R510 F511 K516 L517 C518 I574 | A502-A514 HydrophobicContact CB-CB 4.49Å; A502-A514 VanDerWaalsContact O-CB 3.29Å; A502-A514 WeakPolarHBondContact O-CB 3.39Å; L505-A514 HydrophobicContact CB-CB 3.91Å; K506-A514 HydrophobicContact CB-CB 4.25Å; R510-A514 PolarHBondContact O-N 3Å; F511-A514 PolarHBondContact O-N 3.37Å; A514-K516 VanDerWaalsContact C-N 3.35Å; A514-L517 PolarHBondContact O-N 3.09Å; A514-C518 PolarHBondContact O-N 3.33Å; A514-C518 VanDerWaalsContact O-N 3.1Å; A514-C518 PolarHBondContact O-SG 3.15Å; A514-I574 HydrophobicContact CB-CD1 3.77Å |
| 515 | L | 98.2 | Very high | 95.5 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -64.8 | -38.3 | 176.6 | -75.5 | 172.6 | 0 | 0 | 0 | 112 | F511 G512 L517 C518 H519 A571 I574 Y575 L578 L661 | F511-L515 WeakPolarHBondContact O-CB 3.49Å; F511-L515 VanDerWaalsContact O-CG 3.31Å; F511-L515 WeakPolarHBondContact O-CG 3.18Å; F511-L515 PolarHBondContact O-N 3.13Å; G512-L515 PolarHBondContact O-N 3.21Å; L515-L517 VanDerWaalsContact C-N 3.31Å; L515-L517 PolarHBondContact O-N 3.32Å; L515-C518 WeakPolarHBondContact O-CB 3.43Å; L515-C518 PolarHBondContact O-N 2.91Å; L515-C518 VanDerWaalsContact O-N 3.13Å; L515-H519 PolarHBondContact O-CD2 2.85Å; L515-H519 VanDerWaalsContact O-CD2 3.25Å; L515-H519 PolarHBondContact O-N 3.38Å; L515-A571 HydrophobicContact CD2-CB 4.25Å; L515-I574 HydrophobicContact CD1-CG2 3.8Å; L515-I574 HydrophobicContact CD2-CB 4.07Å; L515-I574 HydrophobicContact CD2-CD1 4.24Å; L515-I574 HydrophobicContact CD2-CG2 3.97Å; L515-I574 HydrophobicContact CG-CB 4.37Å; L515-I574 HydrophobicContact CG-CD1 4.34Å; L515-I574 HydrophobicContact CG-CG2 3.76Å; L515-Y575 HydrophobicContact CD1-CD1 4.22Å; L515-Y575 HydrophobicContact CD1-CE1 3.63Å; L515-Y575 HydrophobicContact CD2-CD2 4.1Å; L515-Y575 HydrophobicContact CD2-CE1 4.14Å; L515-Y575 HydrophobicContact CD2-CE2 3.64Å; L515-L578 HydrophobicContact CD1-CD1 3.82Å; L515-L661 HydrophobicContact CB-CB 4.07Å; L515-L661 HydrophobicContact CB-CD1 4.38Å; L515-L661 HydrophobicContact CD1-CB 4.34Å; L515-L661 VanDerWaalsContact CD1-O 3.23Å; L515-L661 WeakPolarHBondContact CD1-O 3.42Å |
| 516 | K | 96.7 | Very high | 95.2 | Very high | 38 Ų | 38 | 32.3 Ų | 32.3 | 17% | 0.165 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -53.4 | -51.2 | 175.1 | -177.7 | -179.1 | 177.1 | -176.6 | 0 | 110.8 | G512 D513 A514 C518 H519 E520 D653 L656 L661 | G512-K516 PolarHBondContact O-N 2.8Å; D513-K516 WeakPolarHBondContact O-CB 3.3Å; D513-K516 PolarHBondContact O-N 3.07Å; A514-K516 VanDerWaalsContact C-N 3.35Å; K516-C518 VanDerWaalsContact C-N 3.33Å; K516-C518 PolarHBondContact O-N 3.48Å; K516-H519 PolarHBondContact O-N 2.86Å; K516-E520 VanDerWaalsContact CE-OE1 3.25Å; K516-E520 WeakPolarHBondContact CE-OE1 3.44Å; K516-E520 WeakPolarHBondContact O-CG 3.27Å; K516-E520 PolarHBondContact O-N 2.99Å; K516-D653 WeakPolarHBondContact CE-OD1 3.35Å; K516-D653 IonicContact NZ-OD1 3.4Å; K516-D653 PolarHBondContact NZ-OD1 3.04Å; K516-D653 IonicContact NZ-OD2 3.21Å; K516-D653 PolarHBondContact NZ-OD2 2.89Å; K516-L656 HydrophobicContact CG-CB 4.17Å; K516-L661 HydrophobicContact CB-CD1 4.11Å |
| 517 | L | 96.7 | Very high | 95 | Very high | 28 Ų | 28 | 33.1 Ų | 33.1 | 15% | 0.147 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -64.3 | -35.8 | 178.1 | -61.9 | -179.4 | 0 | 0 | 0 | 112.7 | L498 N501 A502 L505 D513 A514 L515 H519 E520 V521 | L498-L517 HydrophobicContact CD2-CD2 3.93Å; N501-L517 HydrophobicContact CB-CD1 3.56Å; A502-L517 HydrophobicContact CB-CB 3.94Å; A502-L517 HydrophobicContact CB-CD1 4.23Å; L505-L517 HydrophobicContact CD1-CD1 3.65Å; D513-L517 PolarHBondContact O-N 3.47Å; A514-L517 PolarHBondContact O-N 3.09Å; L515-L517 VanDerWaalsContact C-N 3.31Å; L515-L517 PolarHBondContact O-N 3.32Å; L517-H519 VanDerWaalsContact C-N 3.35Å; L517-E520 PolarHBondContact O-N 3.04Å; L517-V521 WeakPolarHBondContact O-CG2 3.29Å; L517-V521 PolarHBondContact O-N 3.26Å |
| 518 | C | 97.7 | Very high | 94.9 | Very high | 2 Ų | 2 | 31.9 Ų | 31.9 | 1% | 0.014 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -63.6 | -40.5 | 174.2 | -63.6 | 0 | 0 | 0 | 0 | 112.2 | A514 L515 K516 V521 Q522 T567 A571 F674 | A514-C518 PolarHBondContact O-N 3.33Å; A514-C518 VanDerWaalsContact O-N 3.1Å; A514-C518 PolarHBondContact O-SG 3.15Å; L515-C518 WeakPolarHBondContact O-CB 3.43Å; L515-C518 PolarHBondContact O-N 2.91Å; L515-C518 VanDerWaalsContact O-N 3.13Å; K516-C518 VanDerWaalsContact C-N 3.33Å; K516-C518 PolarHBondContact O-N 3.48Å; C518-V521 PolarHBondContact O-N 3.3Å; C518-Q522 PolarHBondContact O-N 3.29Å; C518-T567 HydrophobicContact CB-CG2 3.85Å; C518-A571 HydrophobicContact CB-CB 4.04Å; C518-F674 HydrophobicContact CB-CE1 4.33Å; C518-F674 HydrophobicContact CB-CZ 4.3Å |
| 519 | H | 96.4 | Very high | 94.8 | Very high | 17 Ų | 17 | 30.3 Ų | 30.3 | 8% | 0.079 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -69.7 | -34.2 | 175.9 | -84.3 | -82.6 | 0 | 0 | 0 | 112.5 | L515 K516 L517 Q522 Q523 Y575 L656 F674 | L515-H519 PolarHBondContact O-CD2 2.85Å; L515-H519 VanDerWaalsContact O-CD2 3.25Å; L515-H519 PolarHBondContact O-N 3.38Å; K516-H519 PolarHBondContact O-N 2.86Å; L517-H519 VanDerWaalsContact C-N 3.35Å; H519-Q522 PolarHBondContact O-N 3.09Å; H519-Q523 WeakPolarHBondContact O-CB 3.31Å; H519-Q523 PolarHBondContact O-N 3.04Å; H519-Y575 PolarHBondContact NE2-OH 2.58Å; H519-L656 HydrophobicContact CB-CD1 3.86Å; H519-L656 HydrophobicContact CB-CD2 3.76Å; H519-L656 HydrophobicContact CB-CG 4.46Å; H519-F674 AromaticContact CD2-CZ 3.99Å; H519-F674 AromaticContact CE1-CE2 3.59Å; H519-F674 AromaticContact CE1-CZ 3.84Å; H519-F674 AromaticContact ND1-CZ 3.95Å; H519-F674 AromaticContact NE2-CE2 3.6Å; H519-F674 AromaticContact NE2-CZ 3.86Å |
| 520 | E | 95.4 | Very high | 94.7 | Very high | 25 Ų | 25 | 29.9 Ų | 29.9 | 12% | 0.117 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -60.7 | -47.6 | 170.8 | -74.4 | 178 | -143.7 | 0 | 0 | 111.3 | S490 L498 K516 L517 Q522 Q523 H524 L656 | S490-E520 PolarHBondContact OG-OE2 3.46Å; L498-E520 HydrophobicContact CD1-CB 4.41Å; K516-E520 VanDerWaalsContact CE-OE1 3.25Å; K516-E520 WeakPolarHBondContact CE-OE1 3.44Å; K516-E520 WeakPolarHBondContact O-CG 3.27Å; K516-E520 PolarHBondContact O-N 2.99Å; L517-E520 PolarHBondContact O-N 3.04Å; E520-Q522 VanDerWaalsContact C-N 3.33Å; E520-Q522 PolarHBondContact O-N 3.11Å; E520-Q523 CarbonylContact O-C 3.5Å; E520-Q523 WeakPolarHBondContact O-CA 3.23Å; E520-Q523 WeakPolarHBondContact O-CB 3.32Å; E520-Q523 PolarHBondContact O-N 3.22Å; E520-H524 PolarHBondContact O-CD2 2.91Å; E520-H524 PolarHBondContact O-N 3.44Å; E520-L656 HydrophobicContact CG-CD1 4.03Å |
| 521 | V | 95.8 | Very high | 94.5 | Very high | 1 Ų | 1 | 27.4 Ų | 27.4 | 1% | 0.006 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -57.8 | -46.8 | 173.4 | 170.2 | 0 | 0 | 0 | 0 | 110.7 | M495 L498 L517 C518 Q523 H524 Y525 T567 | M495-V521 HydrophobicContact SD-CB 4.28Å; M495-V521 HydrophobicContact SD-CG1 3.73Å; M495-V521 HydrophobicContact SD-CG2 4.12Å; L498-V521 HydrophobicContact CB-CG2 3.68Å; L498-V521 HydrophobicContact CD1-CG2 3.76Å; L498-V521 HydrophobicContact CG-CG2 4.39Å; L517-V521 WeakPolarHBondContact O-CG2 3.29Å; L517-V521 PolarHBondContact O-N 3.26Å; C518-V521 PolarHBondContact O-N 3.3Å; V521-Q523 PolarHBondContact O-N 3.33Å; V521-H524 WeakPolarHBondContact O-CB 3.48Å; V521-H524 PolarHBondContact O-N 3.1Å; V521-H524 VanDerWaalsContact O-N 3.1Å; V521-Y525 HydrophobicContact CG1-CD2 4.01Å; V521-Y525 HydrophobicContact CG1-CE2 3.88Å; V521-Y525 WeakPolarHBondContact O-CD2 3.14Å; V521-Y525 PolarHBondContact O-N 2.82Å; V521-Y525 VanDerWaalsContact O-N 3.15Å; V521-T567 HydrophobicContact CB-CG2 3.9Å; V521-T567 HydrophobicContact CG1-CG2 3.85Å; V521-T567 WeakPolarHBondContact CG1-OG1 3.25Å |
| 522 | Q | 94.3 | Very high | 94.2 | Very high | 18 Ų | 18 | 26.3 Ų | 26.3 | 8% | 0.084 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -59.5 | -36.3 | 176.2 | -168.7 | -176.8 | -7.9 | 0 | 0 | 112.2 | C518 H519 E520 Y525 R526 Y564 F674 | C518-Q522 PolarHBondContact O-N 3.29Å; H519-Q522 PolarHBondContact O-N 3.09Å; E520-Q522 VanDerWaalsContact C-N 3.33Å; E520-Q522 PolarHBondContact O-N 3.11Å; Q522-Y525 PolarHBondContact O-N 3.29Å; Q522-R526 PolarHBondContact O-N 2.97Å; Q522-R526 VanDerWaalsContact O-N 3.17Å; Q522-Y564 HydrophobicContact CG-CE2 4.47Å; Q522-F674 HydrophobicContact CB-CE1 4Å; Q522-F674 HydrophobicContact CB-CZ 4.42Å; Q522-F674 HydrophobicContact CG-CE1 4.42Å; Q522-F674 VanDerWaalsContact OE1-CE1 3.26Å |
| 523 | Q | 92.9 | Very high | 94 | Very high | 46 Ų | 46 | 26.9 Ų | 26.9 | 22% | 0.215 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -66.3 | -40.2 | 174.7 | -175.5 | 62.1 | 41.5 | 0 | 0 | 111.7 | H519 E520 V521 Y525 R526 N527 | H519-Q523 WeakPolarHBondContact O-CB 3.31Å; H519-Q523 PolarHBondContact O-N 3.04Å; E520-Q523 CarbonylContact O-C 3.5Å; E520-Q523 WeakPolarHBondContact O-CA 3.23Å; E520-Q523 WeakPolarHBondContact O-CB 3.32Å; E520-Q523 PolarHBondContact O-N 3.22Å; V521-Q523 PolarHBondContact O-N 3.33Å; Q523-Y525 VanDerWaalsContact C-N 3.32Å; Q523-Y525 PolarHBondContact O-N 3.28Å; Q523-R526 CarbonylContact O-C 3.56Å; Q523-R526 WeakPolarHBondContact O-CA 3.17Å; Q523-R526 WeakPolarHBondContact O-CB 3.48Å; Q523-R526 PolarHBondContact O-N 2.81Å; Q523-N527 PolarHBondContact NE2-OD1 3.32Å; Q523-N527 VanDerWaalsContact O-CG 3.26Å; Q523-N527 PolarHBondContact O-N 3.49Å; Q523-N527 PolarHBondContact O-OD1 3.25Å |
| 524 | H | 94.7 | Very high | 93.7 | Very high | 13 Ų | 13 | 29.5 Ų | 29.5 | 6% | 0.06 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -60.1 | -41.6 | 174.9 | -63 | -34.3 | 0 | 0 | 0 | 112.3 | S490 Q493 M495 L498 E520 V521 R526 N527 I528 | S490-H524 PolarHBondContact O-CE1 3.39Å; S490-H524 PolarHBondContact O-NE2 2.74Å; S490-H524 VanDerWaalsContact O-NE2 3.15Å; Q493-H524 HydrophobicContact CG-CB 4.45Å; M495-H524 HydrophobicContact CE-CB 3.36Å; M495-H524 HydrophobicContact SD-CB 4.19Å; L498-H524 WeakPolarHBondContact CD1-NE2 3.47Å; E520-H524 PolarHBondContact O-CD2 2.91Å; E520-H524 PolarHBondContact O-N 3.44Å; V521-H524 WeakPolarHBondContact O-CB 3.48Å; V521-H524 PolarHBondContact O-N 3.1Å; V521-H524 VanDerWaalsContact O-N 3.1Å; H524-R526 VanDerWaalsContact C-N 3.25Å; H524-R526 PolarHBondContact O-N 3.42Å; H524-N527 PolarHBondContact O-N 3.28Å; H524-I528 WeakPolarHBondContact O-CG1 2.98Å; H524-I528 PolarHBondContact O-N 3.48Å |
| 525 | Y | 93.6 | Very high | 93.5 | Very high | 7 Ų | 7 | 34.2 Ų | 34.2 | 3% | 0.027 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -62.4 | -31.4 | 172.8 | -83.2 | -85.1 | 0 | 0 | 0 | 113.2 | M495 V521 Q522 Q523 L529 L558 R559 H561 S563 Y564 | M495-Y525 HydrophobicContact CE-CD2 4.16Å; M495-Y525 HydrophobicContact CE-CE2 3.98Å; M495-Y525 HydrophobicContact SD-CE2 4.31Å; V521-Y525 HydrophobicContact CG1-CD2 4.01Å; V521-Y525 HydrophobicContact CG1-CE2 3.88Å; V521-Y525 WeakPolarHBondContact O-CD2 3.14Å; V521-Y525 PolarHBondContact O-N 2.82Å; V521-Y525 VanDerWaalsContact O-N 3.15Å; Q522-Y525 PolarHBondContact O-N 3.29Å; Q523-Y525 VanDerWaalsContact C-N 3.32Å; Q523-Y525 PolarHBondContact O-N 3.28Å; Y525-L529 WeakPolarHBondContact O-CG 3.31Å; Y525-L558 HydrophobicContact CD1-CD2 3.71Å; Y525-L558 HydrophobicContact CD1-CG 3.63Å; Y525-L558 HydrophobicContact CE1-CD1 4.48Å; Y525-L558 HydrophobicContact CE1-CD2 4.36Å; Y525-L558 HydrophobicContact CE1-CG 3.82Å; Y525-L558 WeakPolarHBondContact CE1-O 3.37Å; Y525-R559 HydrophobicContact CD1-CG 3.87Å; Y525-R559 HydrophobicContact CE1-CG 4.48Å; Y525-R559 HydrophobicContact CG-CG 4.35Å; Y525-H561 PolarHBondContact OH-ND1 3.04Å; Y525-S563 PolarHBondContact OH-OG 2.91Å; Y525-Y564 HydrophobicContact CD1-CD2 4.33Å; Y525-Y564 AromaticContact CD2-CD2 3.65Å; Y525-Y564 HydrophobicContact CD2-CD2 3.65Å; Y525-Y564 HydrophobicContact CD2-CE2 4.45Å; Y525-Y564 HydrophobicContact CE1-CD2 4.47Å; Y525-Y564 AromaticContact CE2-CD2 3.81Å; Y525-Y564 HydrophobicContact CE2-CD2 3.81Å; Y525-Y564 HydrophobicContact CE2-CG 4.3Å; Y525-Y564 AromaticContact CG-CD2 3.94Å; Y525-Y564 HydrophobicContact CG-CD2 3.94Å; Y525-Y564 PolarHBondContact OH-N 3.47Å |
| 526 | R | 91.2 | Very high | 93.4 | Very high | 71 Ų | 71 | 34.3 Ų | 34.3 | 27% | 0.268 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -71.2 | -45.3 | 171.5 | -69.7 | -172.6 | -70.9 | -100.5 | 0.9 | 111.1 | Q522 Q523 H524 I528 L529 D530 | Q522-R526 PolarHBondContact O-N 2.97Å; Q522-R526 VanDerWaalsContact O-N 3.17Å; Q523-R526 CarbonylContact O-C 3.56Å; Q523-R526 WeakPolarHBondContact O-CA 3.17Å; Q523-R526 WeakPolarHBondContact O-CB 3.48Å; Q523-R526 PolarHBondContact O-N 2.81Å; H524-R526 VanDerWaalsContact C-N 3.25Å; H524-R526 PolarHBondContact O-N 3.42Å; R526-I528 VanDerWaalsContact C-N 3.34Å; R526-I528 PolarHBondContact O-N 2.96Å; R526-L529 WeakPolarHBondContact O-CB 3.38Å; R526-L529 PolarHBondContact O-N 3.37Å; R526-L529 VanDerWaalsContact O-N 3.1Å; R526-D530 PolarHBondContact O-N 3.13Å |
| 527 | N | 91.3 | Very high | 93.2 | Very high | 43 Ų | 43 | 35.3 Ų | 35.3 | 23% | 0.23 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -58.4 | -44.4 | 179.5 | -66.3 | -4.2 | 0 | 0 | 0 | 111.7 | Q523 H524 L529 D530 D531 | Q523-N527 PolarHBondContact NE2-OD1 3.32Å; Q523-N527 VanDerWaalsContact O-CG 3.26Å; Q523-N527 PolarHBondContact O-N 3.49Å; Q523-N527 PolarHBondContact O-OD1 3.25Å; H524-N527 PolarHBondContact O-N 3.28Å; N527-L529 VanDerWaalsContact C-N 3.27Å; N527-L529 PolarHBondContact O-N 2.86Å; N527-D530 CarbonylContact O-C 3.22Å; N527-D530 PolarHBondContact O-N 3.33Å; N527-D531 WeakPolarHBondContact O-CB 3.39Å; N527-D531 PolarHBondContact O-N 3.17Å |
| 528 | I | 91.9 | Very high | 93.1 | Very high | 46 Ų | 46 | 38.6 Ų | 38.6 | 24% | 0.236 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -58.1 | -41.8 | 177.2 | -65.8 | 163.4 | 0 | 0 | 0 | 111 | H524 R526 L558 | H524-I528 WeakPolarHBondContact O-CG1 2.98Å; H524-I528 PolarHBondContact O-N 3.48Å; R526-I528 VanDerWaalsContact C-N 3.34Å; R526-I528 PolarHBondContact O-N 2.96Å; I528-L558 HydrophobicContact CB-CD2 3.78Å; I528-L558 HydrophobicContact CD1-CD2 4.24Å; I528-L558 HydrophobicContact CG2-CD1 4.17Å; I528-L558 HydrophobicContact CG2-CD2 3.57Å |
| 529 | L | 89.4 | Confident | 93 | Very high | 38 Ų | 38 | 38.8 Ų | 38.8 | 20% | 0.199 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -68.1 | -38.9 | 175.9 | -67 | 170.2 | 0 | 0 | 0 | 111.6 | Q130 Y525 R526 N527 Q532 E555 L558 | Q130-L529 PolarHBondContact NE2-O 3.48Å; Y525-L529 WeakPolarHBondContact O-CG 3.31Å; R526-L529 WeakPolarHBondContact O-CB 3.38Å; R526-L529 PolarHBondContact O-N 3.37Å; R526-L529 VanDerWaalsContact O-N 3.1Å; N527-L529 VanDerWaalsContact C-N 3.27Å; N527-L529 PolarHBondContact O-N 2.86Å; L529-Q532 VanDerWaalsContact O-CB 3.27Å; L529-Q532 WeakPolarHBondContact O-CB 3.3Å; L529-Q532 PolarHBondContact O-N 3.24Å; L529-E555 HydrophobicContact CD2-CB 4.05Å; L529-L558 HydrophobicContact CD2-CD2 4.34Å; L529-L558 HydrophobicContact CG-CD2 4.19Å |
| 530 | D | 90.3 | Very high | 92.8 | Very high | 29 Ų | 29 | 38.3 Ų | 38.3 | 16% | 0.155 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -69.4 | -35 | 179 | -70.6 | -35.7 | 0 | 0 | 0 | 112.2 | H98 Y100 R526 N527 Q532 L533 | H98-D530 IonicContact CG-OD2 2.67Å; H98-D530 IonicContact ND1-OD1 2.85Å; H98-D530 IonicContact ND1-OD2 3.39Å; Y100-D530 VanDerWaalsContact CE2-OD1 3.27Å; Y100-D530 WeakPolarHBondContact CE2-OD1 3.3Å; Y100-D530 PolarHBondContact OH-OD1 3.33Å; R526-D530 PolarHBondContact O-N 3.13Å; N527-D530 CarbonylContact O-C 3.22Å; N527-D530 PolarHBondContact O-N 3.33Å; D530-Q532 PolarHBondContact O-N 3.02Å; D530-L533 WeakPolarHBondContact O-CB 3.18Å; D530-L533 PolarHBondContact O-N 3.24Å; D530-L533 VanDerWaalsContact O-N 3.14Å |
| 531 | D | 90.7 | Very high | 92.7 | Very high | 68 Ų | 68 | 44.4 Ų | 44.4 | 36% | 0.364 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -63.2 | -24 | 176.7 | -71.7 | -16.3 | 0 | 0 | 0 | 112 | N527 L533 F535 | N527-D531 WeakPolarHBondContact O-CB 3.39Å; N527-D531 PolarHBondContact O-N 3.17Å; D531-L533 PolarHBondContact O-N 2.76Å; D531-F535 WeakPolarHBondContact O-CD2 3.13Å |
| 532 | Q | 90.5 | Very high | 92.5 | Very high | 2 Ų | 2 | 49.1 Ų | 49.1 | 1% | 0.009 | 23% | 0.231 | C | C | . | . | G | 310 helix | trans | -61.1 | -26.2 | 175.3 | -170.9 | 175.1 | 72.9 | 0 | 0 | 113.3 | L529 D530 D534 F535 H536 E555 | L529-Q532 VanDerWaalsContact O-CB 3.27Å; L529-Q532 WeakPolarHBondContact O-CB 3.3Å; L529-Q532 PolarHBondContact O-N 3.24Å; D530-Q532 PolarHBondContact O-N 3.02Å; Q532-D534 PolarHBondContact O-N 3Å; Q532-D534 VanDerWaalsContact O-N 3.1Å; Q532-F535 WeakPolarHBondContact O-CA 3.16Å; Q532-F535 WeakPolarHBondContact O-CB 3.37Å; Q532-F535 PolarHBondContact O-N 3.27Å; Q532-H536 PolarHBondContact O-N 2.94Å; Q532-H536 PolarHBondContact OE1-CE1 3.5Å; Q532-E555 WeakPolarHBondContact CB-OE2 3.41Å; Q532-E555 WeakPolarHBondContact CG-OE1 3.5Å; Q532-E555 WeakPolarHBondContact CG-OE2 3.16Å; Q532-E555 PolarHBondContact NE2-OE1 3.45Å; Q532-E555 PolarHBondContact NE2-OE2 2.82Å; Q532-E555 PolarHBondContact OE1-OE2 2.77Å |
| 533 | L | 92.3 | Very high | 92.6 | Very high | 20 Ų | 20 | 48.3 Ų | 48.3 | 11% | 0.105 | 23% | 0.227 | C | C | . | . | G | 310 helix | trans | -54.9 | -37 | -170.6 | -175.6 | 62.2 | 0 | 0 | 0 | 113 | Y100 V126 L127 Q130 D530 D531 | Y100-L533 HydrophobicContact CE1-CD2 4.16Å; V126-L533 HydrophobicContact CG1-CD1 3.58Å; V126-L533 HydrophobicContact CG1-CG 4.4Å; L127-L533 HydrophobicContact CD2-CD1 3.77Å; Q130-L533 HydrophobicContact CB-CD1 4.29Å; Q130-L533 HydrophobicContact CG-CD1 4.38Å; D530-L533 WeakPolarHBondContact O-CB 3.18Å; D530-L533 PolarHBondContact O-N 3.24Å; D530-L533 VanDerWaalsContact O-N 3.14Å; D531-L533 PolarHBondContact O-N 2.76Å |
| 534 | D | 89.3 | Confident | 92.7 | Very high | 107 Ų | 107 | 47.5 Ų | 47.5 | 57% | 0.572 | 23% | 0.226 | S | C | * | . | G | 310 helix | trans | -73.9 | -27.4 | 179.1 | -77.6 | -12.9 | 0 | 0 | 0 | 112.8 | Q532 Y538 | Q532-D534 PolarHBondContact O-N 3Å; Q532-D534 VanDerWaalsContact O-N 3.1Å; D534-Y538 WeakPolarHBondContact O-CB 3.49Å; D534-Y538 PolarHBondContact O-N 2.99Å; D534-Y538 VanDerWaalsContact O-N 3.15Å |
| 535 | F | 94.7 | Very high | 92.8 | Very high | 100 Ų | 100 | 46.9 Ų | 46.9 | 44% | 0.439 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -72.7 | -28.4 | -178.9 | -68.4 | -81.8 | 0 | 0 | 0 | 112.8 | D531 Q532 S537 Y538 C539 | D531-F535 WeakPolarHBondContact O-CD2 3.13Å; Q532-F535 WeakPolarHBondContact O-CA 3.16Å; Q532-F535 WeakPolarHBondContact O-CB 3.37Å; Q532-F535 PolarHBondContact O-N 3.27Å; F535-S537 PolarHBondContact O-N 3.26Å; F535-Y538 HydrophobicContact CD1-CD1 4.18Å; F535-Y538 PolarHBondContact O-N 3.21Å; F535-C539 WeakPolarHBondContact O-CB 3.4Å; F535-C539 PolarHBondContact O-N 3.37Å; F535-C539 PolarHBondContact O-SG 2.93Å |
| 536 | H | 95.4 | Very high | 93 | Very high | 1 Ų | 1 | 48.2 Ų | 48.2 | 1% | 0.005 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -56.4 | -36.1 | 177 | -62.1 | -28.6 | 0 | 0 | 0 | 113.6 | V126 M129 Q130 Q532 L540 Y548 | V126-H536 HydrophobicContact CG1-CB 4.12Å; V126-H536 HydrophobicContact CG2-CB 4.34Å; V126-H536 PolarHBondContact O-CD2 3.44Å; V126-H536 VanDerWaalsContact O-CD2 3.32Å; M129-H536 WeakPolarHBondContact CE-CE1 3.38Å; M129-H536 WeakPolarHBondContact CE-ND1 3.48Å; Q130-H536 WeakPolarHBondContact CA-NE2 3.31Å; Q130-H536 PolarHBondContact N-NE2 3.26Å; Q130-H536 PolarHBondContact OE1-NE2 3.08Å; Q532-H536 PolarHBondContact O-N 2.94Å; Q532-H536 PolarHBondContact OE1-CE1 3.5Å; H536-L540 WeakPolarHBondContact O-CD1 3.27Å; H536-L540 WeakPolarHBondContact O-CG 3.46Å; H536-Y548 WeakPolarHBondContact CA-OH 3.37Å; H536-Y548 AromaticContact ND1-CE2 3.82Å; H536-Y548 AromaticContact ND1-CZ 3.7Å; H536-Y548 PolarHBondContact ND1-OH 3.34Å |
| 537 | S | 92.2 | Very high | 93.2 | Very high | 60 Ų | 60 | 48 Ų | 48 | 42% | 0.42 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -91.9 | -36.4 | 175.8 | -68.7 | 0 | 0 | 0 | 0 | 112.3 | V126 F535 R541 | V126-S537 VanDerWaalsContact CG2-OG 3.24Å; V126-S537 WeakPolarHBondContact CG2-OG 3.45Å; F535-S537 PolarHBondContact O-N 3.26Å; S537-R541 WeakPolarHBondContact O-CB 3.33Å; S537-R541 PolarHBondContact O-N 2.98Å |
| 538 | Y | 94.4 | Very high | 93.5 | Very high | 96 Ų | 96 | 46 Ų | 46 | 38% | 0.376 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -62.8 | -50.7 | -178.9 | 175.9 | -91.3 | 0 | 0 | 0 | 112.3 | D534 F535 L540 R541 K542 | D534-Y538 WeakPolarHBondContact O-CB 3.49Å; D534-Y538 PolarHBondContact O-N 2.99Å; D534-Y538 VanDerWaalsContact O-N 3.15Å; F535-Y538 HydrophobicContact CD1-CD1 4.18Å; F535-Y538 PolarHBondContact O-N 3.21Å; Y538-L540 VanDerWaalsContact C-N 3.3Å; Y538-L540 PolarHBondContact O-N 3.48Å; Y538-R541 WeakPolarHBondContact O-CB 3.37Å; Y538-R541 PolarHBondContact O-N 2.72Å; Y538-K542 HydrophobicContact CD2-CG 4.15Å; Y538-K542 HydrophobicContact CE1-CB 4.23Å; Y538-K542 HydrophobicContact CE1-CG 4.13Å; Y538-K542 HydrophobicContact CE2-CG 3.7Å; Y538-K542 PolarHBondContact O-N 2.96Å |
| 539 | C | 95.9 | Very high | 93.8 | Very high | 7 Ų | 7 | 43.9 Ų | 43.9 | 5% | 0.047 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -64.1 | -33.9 | -174.7 | -64.8 | 0 | 0 | 0 | 0 | 112.6 | F535 V543 T544 Y548 | F535-C539 WeakPolarHBondContact O-CB 3.4Å; F535-C539 PolarHBondContact O-N 3.37Å; F535-C539 PolarHBondContact O-SG 2.93Å; C539-V543 VanDerWaalsContact O-CA 3.28Å; C539-V543 WeakPolarHBondContact O-CA 3.44Å; C539-V543 PolarHBondContact O-N 3.16Å; C539-T544 WeakPolarHBondContact CA-OG1 3.49Å; C539-T544 PolarHBondContact O-N 3.13Å; C539-T544 VanDerWaalsContact O-N 3.15Å; C539-Y548 HydrophobicContact CB-CD1 3.68Å; C539-Y548 HydrophobicContact CB-CD2 4.03Å; C539-Y548 HydrophobicContact CB-CE1 4.28Å; C539-Y548 HydrophobicContact CB-CG 3.55Å |
| 540 | L | 93.4 | Very high | 94.1 | Very high | 6 Ų | 6 | 47.6 Ų | 47.6 | 3% | 0.031 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -70.8 | -32.7 | 174.9 | -63.7 | -178.9 | 0 | 0 | 0 | 112.9 | R141 A153 I156 L160 H536 Y538 | R141-L540 VanDerWaalsContact CZ-CD1 3.44Å; R141-L540 VanDerWaalsContact NH1-CD1 3.34Å; R141-L540 VanDerWaalsContact NH2-CD1 3.25Å; A153-L540 HydrophobicContact CB-CB 4.45Å; I156-L540 HydrophobicContact CG2-CD2 3.86Å; L160-L540 HydrophobicContact CD2-CD2 3.78Å; H536-L540 WeakPolarHBondContact O-CD1 3.27Å; H536-L540 WeakPolarHBondContact O-CG 3.46Å; Y538-L540 VanDerWaalsContact C-N 3.3Å; Y538-L540 PolarHBondContact O-N 3.48Å |
| 541 | R | 91.6 | Very high | 94.3 | Very high | 154 Ų | 154 | 48.6 Ų | 48.6 | 58% | 0.581 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -78.3 | -37.6 | 178.9 | 175.3 | 175.4 | 49.4 | 143.6 | -2.6 | 112 | S537 Y538 | S537-R541 WeakPolarHBondContact O-CB 3.33Å; S537-R541 PolarHBondContact O-N 2.98Å; Y538-R541 WeakPolarHBondContact O-CB 3.37Å; Y538-R541 PolarHBondContact O-N 2.72Å |
| 542 | K | 93.4 | Very high | 94.5 | Very high | 99 Ų | 99 | 45.4 Ų | 45.4 | 43% | 0.43 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -95.4 | -3.1 | -178.9 | -67.2 | -59.4 | -169.5 | 174.1 | 0 | 114.4 | Y538 T544 | Y538-K542 HydrophobicContact CD2-CG 4.15Å; Y538-K542 HydrophobicContact CE1-CB 4.23Å; Y538-K542 HydrophobicContact CE1-CG 4.13Å; Y538-K542 HydrophobicContact CE2-CG 3.7Å; Y538-K542 PolarHBondContact O-N 2.96Å; K542-T544 HydrophobicContact CB-CG2 4.35Å; K542-T544 PolarHBondContact O-N 3.26Å |
| 543 | V | 94.7 | Very high | 94.7 | Very high | 1 Ų | 1 | 50.2 Ų | 50.2 | 1% | 0.006 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53.8 | 55 | 179 | -165.9 | 0 | 0 | 0 | 0 | 110.6 | K152 I156 E191 E194 C539 L545 | K152-V543 HydrophobicContact CD-CG2 3.84Å; K152-V543 VanDerWaalsContact CE-CG2 3.42Å; I156-V543 HydrophobicContact CD1-CB 4.42Å; I156-V543 HydrophobicContact CD1-CG1 3.94Å; I156-V543 HydrophobicContact CD1-CG2 3.68Å; E191-V543 HydrophobicContact CB-CB 4.1Å; E191-V543 HydrophobicContact CB-CG1 4.49Å; E191-V543 HydrophobicContact CB-CG2 4.16Å; E191-V543 HydrophobicContact CG-CB 4.33Å; E191-V543 HydrophobicContact CG-CG2 4.37Å; E194-V543 HydrophobicContact CG-CG1 4.39Å; E194-V543 WeakPolarHBondContact CG-O 3.46Å; C539-V543 VanDerWaalsContact O-CA 3.28Å; C539-V543 WeakPolarHBondContact O-CA 3.44Å; C539-V543 PolarHBondContact O-N 3.16Å; V543-L545 HydrophobicContact CG1-CD1 3.91Å; V543-L545 HydrophobicContact CG1-CG 3.96Å |
| 544 | T | 95.5 | Very high | 94.7 | Very high | 29 Ų | 29 | 54.9 Ų | 54.9 | 18% | 0.178 | 26% | 0.264 | C | S | . | . | trans | -107.8 | 70.4 | 174 | 52.7 | 0 | 0 | 0 | 0 | 108.3 | C539 K542 Y548 | C539-T544 WeakPolarHBondContact CA-OG1 3.49Å; C539-T544 PolarHBondContact O-N 3.13Å; C539-T544 VanDerWaalsContact O-N 3.15Å; K542-T544 HydrophobicContact CB-CG2 4.35Å; K542-T544 PolarHBondContact O-N 3.26Å; T544-Y548 WeakPolarHBondContact O-CB 3.47Å; T544-Y548 PolarHBondContact O-N 2.93Å | ||
| 545 | L | 97.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -87.2 | -44.1 | -158 | -56.5 | -179.9 | 0 | 0 | 0 | 113.2 | I156 E194 L195 Y198 V543 Y548 V549 | I156-L545 HydrophobicContact CG2-CD1 3.75Å; I156-L545 HydrophobicContact CG2-CD2 3.43Å; I156-L545 VanDerWaalsContact CG2-CD2 3.43Å; I156-L545 HydrophobicContact CG2-CG 4.23Å; E194-L545 PolarHBondContact OE1-N 3.41Å; E194-L545 VanDerWaalsContact OE1-N 3.11Å; L195-L545 HydrophobicContact CD1-CD1 4.03Å; Y198-L545 HydrophobicContact CD1-CB 4.07Å; Y198-L545 HydrophobicContact CD1-CD1 3.43Å; Y198-L545 VanDerWaalsContact CD1-CD1 3.43Å; Y198-L545 HydrophobicContact CD1-CG 4.4Å; Y198-L545 HydrophobicContact CD2-CB 3.56Å; Y198-L545 HydrophobicContact CD2-CD1 4.48Å; Y198-L545 HydrophobicContact CE1-CB 4.33Å; Y198-L545 HydrophobicContact CE1-CD1 3.82Å; Y198-L545 HydrophobicContact CE2-CB 3.86Å; Y198-L545 HydrophobicContact CG-CB 3.66Å; Y198-L545 HydrophobicContact CG-CD1 3.79Å; Y198-L545 HydrophobicContact CG-CG 4.39Å; V543-L545 HydrophobicContact CG1-CD1 3.91Å; V543-L545 HydrophobicContact CG1-CG 3.96Å; L545-Y548 PolarHBondContact O-N 2.93Å; L545-V549 WeakPolarHBondContact O-CG2 3.14Å; L545-V549 PolarHBondContact O-N 3.18Å |
| 546 | R | 97.5 | Very high | 94.6 | Very high | 36 Ų | 36 | 49 Ų | 49 | 14% | 0.136 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -61 | -53.6 | 178.2 | -65.6 | 178.9 | -68 | 150.9 | 0.3 | 110.1 | E194 L197 Y198 M201 D225 S228 Y548 V549 E550 | E194-R546 WeakPolarHBondContact OE1-CB 3.11Å; E194-R546 WeakPolarHBondContact OE1-CG 3.49Å; E194-R546 PolarHBondContact OE1-N 3.49Å; E194-R546 IonicContact OE1-NE 3.47Å; E194-R546 PolarHBondContact OE1-NE 3.42Å; E194-R546 IonicContact OE2-CZ 3.92Å; E194-R546 IonicContact OE2-NE 2.64Å; E194-R546 PolarHBondContact OE2-NE 3.19Å; E194-R546 IonicContact OE2-NH2 2.68Å; E194-R546 PolarHBondContact OE2-NH2 3.36Å; L197-R546 VanDerWaalsContact CD1-NH2 3.34Å; Y198-R546 HydrophobicContact CD2-CG 4.19Å; M201-R546 HydrophobicContact SD-CB 4.26Å; M201-R546 HydrophobicContact SD-CG 3.93Å; D225-R546 IonicContact OD2-NH2 3Å; D225-R546 PolarHBondContact OD2-NH2 2.64Å; S228-R546 PolarHBondContact OG-NH1 3.41Å; R546-Y548 VanDerWaalsContact C-N 3.27Å; R546-Y548 PolarHBondContact O-N 3.25Å; R546-V549 PolarHBondContact O-N 3.46Å; R546-V549 VanDerWaalsContact O-N 3.17Å; R546-E550 WeakPolarHBondContact O-CG 3.39Å; R546-E550 PolarHBondContact O-N 2.87Å |
| 547 | S | 96.2 | Very high | 94.4 | Very high | 65 Ų | 65 | 56 Ų | 56 | 46% | 0.455 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -59.6 | -36.1 | 175.9 | -52.5 | 0 | 0 | 0 | 0 | 112.5 | E550 T551 | S547-E550 PolarHBondContact O-N 3.32Å; S547-T551 WeakPolarHBondContact O-CB 3.4Å; S547-T551 PolarHBondContact O-N 3.15Å; S547-T551 PolarHBondContact O-OG1 3.02Å |
| 548 | Y | 97.3 | Very high | 94.3 | Very high | 3 Ų | 3 | 54.7 Ų | 54.7 | 1% | 0.012 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -66.4 | -43.3 | 177 | 179.2 | -141.6 | 0 | 0 | 0 | 112.4 | L160 H536 C539 T544 L545 R546 E550 T551 L552 | L160-Y548 HydrophobicContact CD2-CD1 3.73Å; L160-Y548 HydrophobicContact CD2-CE1 3.32Å; H536-Y548 WeakPolarHBondContact CA-OH 3.37Å; H536-Y548 AromaticContact ND1-CE2 3.82Å; H536-Y548 AromaticContact ND1-CZ 3.7Å; H536-Y548 PolarHBondContact ND1-OH 3.34Å; C539-Y548 HydrophobicContact CB-CD1 3.68Å; C539-Y548 HydrophobicContact CB-CD2 4.03Å; C539-Y548 HydrophobicContact CB-CE1 4.28Å; C539-Y548 HydrophobicContact CB-CG 3.55Å; T544-Y548 WeakPolarHBondContact O-CB 3.47Å; T544-Y548 PolarHBondContact O-N 2.93Å; L545-Y548 PolarHBondContact O-N 2.93Å; R546-Y548 VanDerWaalsContact C-N 3.27Å; R546-Y548 PolarHBondContact O-N 3.25Å; Y548-E550 VanDerWaalsContact C-N 3.31Å; Y548-E550 PolarHBondContact O-N 3.36Å; Y548-T551 PolarHBondContact O-N 2.76Å; Y548-L552 HydrophobicContact CD2-CD1 4.31Å; Y548-L552 HydrophobicContact CD2-CG 4.12Å; Y548-L552 HydrophobicContact CE1-CD1 4.21Å; Y548-L552 HydrophobicContact CE2-CD1 3.92Å; Y548-L552 HydrophobicContact CE2-CD2 3.86Å; Y548-L552 HydrophobicContact CE2-CG 3.79Å; Y548-L552 VanDerWaalsContact O-CG 3.29Å; Y548-L552 WeakPolarHBondContact O-CG 3.29Å; Y548-L552 PolarHBondContact O-N 2.92Å |
| 549 | V | 97.5 | Very high | 94.2 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -62.7 | -40.2 | 174.6 | 173.1 | 0 | 0 | 0 | 0 | 111 | L160 L164 Y198 M201 L545 R546 L552 R553 | L160-V549 HydrophobicContact CD1-CG2 3.61Å; L164-V549 HydrophobicContact CD2-CG1 4.47Å; L164-V549 HydrophobicContact CD2-CG2 4.47Å; Y198-V549 HydrophobicContact CE2-CG2 3.98Å; M201-V549 HydrophobicContact CE-CB 4.06Å; M201-V549 HydrophobicContact CE-CG1 3.63Å; L545-V549 WeakPolarHBondContact O-CG2 3.14Å; L545-V549 PolarHBondContact O-N 3.18Å; R546-V549 PolarHBondContact O-N 3.46Å; R546-V549 VanDerWaalsContact O-N 3.17Å; V549-L552 PolarHBondContact O-N 3.23Å; V549-R553 VanDerWaalsContact O-CG 3.28Å; V549-R553 WeakPolarHBondContact O-CG 3.27Å; V549-R553 PolarHBondContact O-N 3.11Å; V549-R553 VanDerWaalsContact O-N 3.09Å |
| 550 | E | 95.9 | Very high | 93.9 | Very high | 116 Ų | 116 | 54.6 Ų | 54.6 | 54% | 0.542 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -62.3 | -44.9 | 173.8 | -70.2 | 170.1 | 176.3 | 0 | 0 | 112.2 | R546 S547 Y548 L552 R553 L554 | R546-E550 WeakPolarHBondContact O-CG 3.39Å; R546-E550 PolarHBondContact O-N 2.87Å; S547-E550 PolarHBondContact O-N 3.32Å; Y548-E550 VanDerWaalsContact C-N 3.31Å; Y548-E550 PolarHBondContact O-N 3.36Å; E550-L552 VanDerWaalsContact C-N 3.35Å; E550-L552 PolarHBondContact O-N 3.44Å; E550-R553 PolarHBondContact O-N 3.12Å; E550-L554 WeakPolarHBondContact O-CB 3.35Å; E550-L554 PolarHBondContact O-N 2.88Å |
| 551 | T | 94.9 | Very high | 93.8 | Very high | 51 Ų | 51 | 59.5 Ų | 59.5 | 31% | 0.313 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -59.1 | -43.7 | 175.4 | -62 | 0 | 0 | 0 | 0 | 111.6 | S547 Y548 R553 L554 E555 | S547-T551 WeakPolarHBondContact O-CB 3.4Å; S547-T551 PolarHBondContact O-N 3.15Å; S547-T551 PolarHBondContact O-OG1 3.02Å; Y548-T551 PolarHBondContact O-N 2.76Å; T551-R553 PolarHBondContact O-N 3.5Å; T551-L554 PolarHBondContact O-N 3.23Å; T551-E555 VanDerWaalsContact CG2-OE1 3.27Å; T551-E555 WeakPolarHBondContact CG2-OE1 3.41Å; T551-E555 WeakPolarHBondContact O-CB 3.32Å; T551-E555 PolarHBondContact O-N 2.96Å |
| 552 | L | 95.3 | Very high | 93.8 | Very high | 1 Ų | 1 | 57.2 Ų | 57.2 | 1% | 0.005 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -59.4 | -47.7 | 176.3 | -69.1 | 172.8 | 0 | 0 | 0 | 111.9 | M129 L164 Y548 V549 E550 L554 E555 D556 | M129-L552 HydrophobicContact CE-CD1 4.21Å; M129-L552 HydrophobicContact CE-CD2 3.16Å; M129-L552 HydrophobicContact CE-CG 4.34Å; M129-L552 HydrophobicContact SD-CD1 4.3Å; M129-L552 HydrophobicContact SD-CD2 4.25Å; L164-L552 HydrophobicContact CD1-CD1 3.81Å; L164-L552 HydrophobicContact CD2-CD1 4.16Å; Y548-L552 HydrophobicContact CD2-CD1 4.31Å; Y548-L552 HydrophobicContact CD2-CG 4.12Å; Y548-L552 HydrophobicContact CE1-CD1 4.21Å; Y548-L552 HydrophobicContact CE2-CD1 3.92Å; Y548-L552 HydrophobicContact CE2-CD2 3.86Å; Y548-L552 HydrophobicContact CE2-CG 3.79Å; Y548-L552 VanDerWaalsContact O-CG 3.29Å; Y548-L552 WeakPolarHBondContact O-CG 3.29Å; Y548-L552 PolarHBondContact O-N 2.92Å; V549-L552 PolarHBondContact O-N 3.23Å; E550-L552 VanDerWaalsContact C-N 3.35Å; E550-L552 PolarHBondContact O-N 3.44Å; L552-L554 VanDerWaalsContact C-N 3.35Å; L552-L554 PolarHBondContact O-N 3.42Å; L552-E555 PolarHBondContact O-N 3.39Å; L552-D556 WeakPolarHBondContact O-CB 3.2Å; L552-D556 PolarHBondContact O-N 3.43Å |
| 553 | R | 94.3 | Very high | 93.8 | Very high | 102 Ų | 102 | 53.2 Ų | 53.2 | 39% | 0.385 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -65.6 | -36.7 | 179.4 | -69.8 | 168.3 | 177.2 | 172.8 | 0.7 | 112.5 | M201 E205 V549 E550 T551 | M201-R553 VanDerWaalsContact CE-NH1 3.33Å; E205-R553 IonicContact OE1-CZ 3.19Å; E205-R553 VanDerWaalsContact OE1-CZ 3.27Å; E205-R553 IonicContact OE1-NH1 2.75Å; E205-R553 PolarHBondContact OE1-NH1 3.27Å; E205-R553 IonicContact OE1-NH2 4Å; E205-R553 PolarHBondContact OE1-NH2 2.8Å; E205-R553 IonicContact OE2-CZ 3.54Å; E205-R553 IonicContact OE2-NH2 3.85Å; E205-R553 PolarHBondContact OE2-NH2 3.15Å; V549-R553 VanDerWaalsContact O-CG 3.28Å; V549-R553 WeakPolarHBondContact O-CG 3.27Å; V549-R553 PolarHBondContact O-N 3.11Å; V549-R553 VanDerWaalsContact O-N 3.09Å; E550-R553 PolarHBondContact O-N 3.12Å; T551-R553 PolarHBondContact O-N 3.5Å |
| 554 | L | 92.4 | Very high | 93.8 | Very high | 118 Ų | 118 | 53.2 Ų | 53.2 | 62% | 0.618 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -63.9 | -49.7 | 175 | 175.6 | 66 | 0 | 0 | 0 | 110.7 | E550 T551 L552 D556 R557 L558 | E550-L554 WeakPolarHBondContact O-CB 3.35Å; E550-L554 PolarHBondContact O-N 2.88Å; T551-L554 PolarHBondContact O-N 3.23Å; L552-L554 VanDerWaalsContact C-N 3.35Å; L552-L554 PolarHBondContact O-N 3.42Å; L554-D556 PolarHBondContact O-N 2.82Å; L554-R557 CarbonylContact O-C 3.2Å; L554-R557 PolarHBondContact O-N 3.03Å; L554-R557 VanDerWaalsContact O-N 3.1Å; L554-L558 PolarHBondContact O-N 3.01Å; L554-L558 VanDerWaalsContact O-N 3.14Å |
| 555 | E | 90.8 | Very high | 93.8 | Very high | 19 Ų | 19 | 52.3 Ų | 52.3 | 9% | 0.089 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -68.7 | -33.7 | -176.6 | -78.4 | -176 | -133.3 | 0 | 0 | 113.6 | L529 Q532 T551 L552 R557 L558 | L529-E555 HydrophobicContact CD2-CB 4.05Å; Q532-E555 WeakPolarHBondContact CB-OE2 3.41Å; Q532-E555 WeakPolarHBondContact CG-OE1 3.5Å; Q532-E555 WeakPolarHBondContact CG-OE2 3.16Å; Q532-E555 PolarHBondContact NE2-OE1 3.45Å; Q532-E555 PolarHBondContact NE2-OE2 2.82Å; Q532-E555 PolarHBondContact OE1-OE2 2.77Å; T551-E555 VanDerWaalsContact CG2-OE1 3.27Å; T551-E555 WeakPolarHBondContact CG2-OE1 3.41Å; T551-E555 WeakPolarHBondContact O-CB 3.32Å; T551-E555 PolarHBondContact O-N 2.96Å; L552-E555 PolarHBondContact O-N 3.39Å; E555-R557 PolarHBondContact O-N 3.3Å; E555-L558 VanDerWaalsContact O-CB 3.28Å; E555-L558 WeakPolarHBondContact O-CB 3.04Å; E555-L558 PolarHBondContact O-N 2.94Å |
| 556 | D | 90.8 | Very high | 93.7 | Very high | 64 Ų | 64 | 53.8 Ų | 53.8 | 34% | 0.342 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58 | -22.2 | 172.7 | -70.9 | -7.3 | 0 | 0 | 0 | 112.1 | R132 L552 L554 L681 | R132-D556 IonicContact CZ-OD1 3.81Å; R132-D556 IonicContact NE-OD1 3.12Å; R132-D556 PolarHBondContact NE-OD1 2.95Å; R132-D556 IonicContact NE-OD2 2.76Å; R132-D556 IonicContact NH2-OD1 3.76Å; R132-D556 PolarHBondContact NH2-OD1 3.34Å; L552-D556 WeakPolarHBondContact O-CB 3.2Å; L552-D556 PolarHBondContact O-N 3.43Å; L554-D556 PolarHBondContact O-N 2.82Å; D556-L681 WeakPolarHBondContact O-CD2 3.09Å |
| 557 | R | 91.3 | Very high | 93.7 | Very high | 150 Ų | 150 | 52.1 Ų | 52.1 | 57% | 0.566 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.1 | 15.8 | 178.4 | -60.9 | -172.1 | 64.5 | 173.6 | -3.5 | 113.2 | L554 E555 R559 D560 | L554-R557 CarbonylContact O-C 3.2Å; L554-R557 PolarHBondContact O-N 3.03Å; L554-R557 VanDerWaalsContact O-N 3.1Å; E555-R557 PolarHBondContact O-N 3.3Å; R557-R559 VanDerWaalsContact C-N 3.28Å; R557-R559 PolarHBondContact O-N 3.39Å; R557-D560 HydrophobicContact CB-CB 4.38Å; R557-D560 IonicContact CZ-OD2 2.75Å; R557-D560 IonicContact NE-OD2 2.71Å; R557-D560 IonicContact NH2-OD2 3.13Å; R557-D560 PolarHBondContact NH2-OD2 2.82Å; R557-D560 WeakPolarHBondContact O-CB 3.16Å; R557-D560 PolarHBondContact O-N 3.24Å |
| 558 | L | 90.8 | Very high | 93.7 | Very high | 31 Ų | 31 | 49 Ų | 49 | 16% | 0.162 | 23% | 0.23 | C | C | . | . | G | 310 helix | trans | -55.8 | -43 | -173.5 | -172 | 68.3 | 0 | 0 | 0 | 112.4 | Y525 I528 L529 L554 E555 D560 H561 | Y525-L558 HydrophobicContact CD1-CD2 3.71Å; Y525-L558 HydrophobicContact CD1-CG 3.63Å; Y525-L558 HydrophobicContact CE1-CD1 4.48Å; Y525-L558 HydrophobicContact CE1-CD2 4.36Å; Y525-L558 HydrophobicContact CE1-CG 3.82Å; Y525-L558 WeakPolarHBondContact CE1-O 3.37Å; I528-L558 HydrophobicContact CB-CD2 3.78Å; I528-L558 HydrophobicContact CD1-CD2 4.24Å; I528-L558 HydrophobicContact CG2-CD1 4.17Å; I528-L558 HydrophobicContact CG2-CD2 3.57Å; L529-L558 HydrophobicContact CD2-CD2 4.34Å; L529-L558 HydrophobicContact CG-CD2 4.19Å; L554-L558 PolarHBondContact O-N 3.01Å; L554-L558 VanDerWaalsContact O-N 3.14Å; E555-L558 VanDerWaalsContact O-CB 3.28Å; E555-L558 WeakPolarHBondContact O-CB 3.04Å; E555-L558 PolarHBondContact O-N 2.94Å; L558-D560 PolarHBondContact O-N 2.61Å; L558-H561 VanDerWaalsContact O-CB 3.31Å; L558-H561 WeakPolarHBondContact O-CB 3.43Å; L558-H561 PolarHBondContact O-N 2.83Å |
| 559 | R | 91.6 | Very high | 93.7 | Very high | 54 Ų | 54 | 51.2 Ų | 51.2 | 20% | 0.204 | 24% | 0.24 | C | C | . | . | G | 310 helix | trans | -80.8 | 5 | -179.8 | -67.8 | 176.9 | -171.3 | 144.8 | 6.1 | 114.3 | Y525 R557 Y564 P677 L681 | Y525-R559 HydrophobicContact CD1-CG 3.87Å; Y525-R559 HydrophobicContact CE1-CG 4.48Å; Y525-R559 HydrophobicContact CG-CG 4.35Å; R557-R559 VanDerWaalsContact C-N 3.28Å; R557-R559 PolarHBondContact O-N 3.39Å; R559-Y564 HydrophobicContact CB-CD1 3.61Å; R559-Y564 HydrophobicContact CB-CD2 4.45Å; R559-Y564 HydrophobicContact CB-CE1 3.87Å; R559-Y564 HydrophobicContact CB-CG 3.94Å; R559-Y564 HydrophobicContact CG-CD1 4.02Å; R559-Y564 HydrophobicContact CG-CD2 4.01Å; R559-Y564 HydrophobicContact CG-CE1 4.07Å; R559-Y564 HydrophobicContact CG-CE2 4.05Å; R559-Y564 HydrophobicContact CG-CG 4Å; R559-Y564 VanDerWaalsContact O-CD1 3.28Å; R559-Y564 WeakPolarHBondContact O-CD1 3.33Å; R559-P677 HydrophobicContact CB-CB 4.37Å; R559-P677 VanDerWaalsContact CD-CB 3.45Å; R559-L681 HydrophobicContact CB-CD1 3.76Å |
| 560 | D | 89.5 | Confident | 93.7 | Very high | 47 Ų | 47 | 51.6 Ų | 51.6 | 25% | 0.251 | 24% | 0.242 | S | C | . | . | G | 310 helix | trans | -78.7 | -7.1 | 165.6 | -164.6 | 29.3 | 0 | 0 | 0 | 111.8 | R557 L558 L681 S682 | R557-D560 HydrophobicContact CB-CB 4.38Å; R557-D560 IonicContact CZ-OD2 2.75Å; R557-D560 IonicContact NE-OD2 2.71Å; R557-D560 IonicContact NH2-OD2 3.13Å; R557-D560 PolarHBondContact NH2-OD2 2.82Å; R557-D560 WeakPolarHBondContact O-CB 3.16Å; R557-D560 PolarHBondContact O-N 3.24Å; L558-D560 PolarHBondContact O-N 2.61Å; D560-L681 HydrophobicContact CB-CB 4.49Å; D560-S682 WeakPolarHBondContact OD1-CA 3.32Å; D560-S682 WeakPolarHBondContact OD1-CB 3.33Å; D560-S682 PolarHBondContact OD1-OG 3.03Å |
| 561 | H | 91.8 | Very high | 93.8 | Very high | 110 Ų | 110 | 46 Ų | 46 | 51% | 0.509 | 22% | 0.216 | S | C | . | . | S | Bend | trans | -69.1 | 140.7 | 179.7 | -171.5 | -92.5 | 0 | 0 | 0 | 112.5 | Y525 L558 S563 Y564 F565 | Y525-H561 PolarHBondContact OH-ND1 3.04Å; L558-H561 VanDerWaalsContact O-CB 3.31Å; L558-H561 WeakPolarHBondContact O-CB 3.43Å; L558-H561 PolarHBondContact O-N 2.83Å; H561-S563 VanDerWaalsContact C-N 3.26Å; H561-S563 PolarHBondContact CE1-OG 3.17Å; H561-S563 PolarHBondContact ND1-N 3.48Å; H561-S563 VanDerWaalsContact ND1-N 3.19Å; H561-S563 PolarHBondContact ND1-OG 3.45Å; H561-S563 PolarHBondContact O-N 2.58Å; H561-S563 VanDerWaalsContact O-N 3.15Å; H561-Y564 WeakPolarHBondContact O-CB 3.4Å; H561-Y564 PolarHBondContact O-N 2.9Å; H561-F565 PolarHBondContact O-N 3.14Å |
| 562 | Q | 91.6 | Very high | 94 | Very high | 106 Ų | 106 | 43.6 Ų | 43.6 | 50% | 0.495 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -53.4 | -39.7 | -176.5 | -175 | 64.9 | 44.7 | 0 | 0 | 113.2 | Y564 F565 D566 | Q562-Y564 VanDerWaalsContact C-N 3.28Å; Q562-Y564 PolarHBondContact O-N 2.83Å; Q562-F565 WeakPolarHBondContact O-CB 3.44Å; Q562-F565 PolarHBondContact O-N 2.94Å; Q562-D566 PolarHBondContact NE2-OD1 2.87Å; Q562-D566 PolarHBondContact O-N 3.32Å |
| 563 | S | 92.7 | Very high | 94 | Very high | 15 Ų | 15 | 46.1 Ų | 46.1 | 11% | 0.105 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -64.9 | -32.1 | 179.7 | 65.9 | 0 | 0 | 0 | 0 | 112.9 | Y525 H561 T567 | Y525-S563 PolarHBondContact OH-OG 2.91Å; H561-S563 VanDerWaalsContact C-N 3.26Å; H561-S563 PolarHBondContact CE1-OG 3.17Å; H561-S563 PolarHBondContact ND1-N 3.48Å; H561-S563 VanDerWaalsContact ND1-N 3.19Å; H561-S563 PolarHBondContact ND1-OG 3.45Å; H561-S563 PolarHBondContact O-N 2.58Å; H561-S563 VanDerWaalsContact O-N 3.15Å; S563-T567 WeakPolarHBondContact O-CB 3.43Å; S563-T567 PolarHBondContact O-N 3.32Å; S563-T567 VanDerWaalsContact O-N 3.08Å; S563-T567 PolarHBondContact O-OG1 2.87Å |
| 564 | Y | 95.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -69.2 | -44 | 173.4 | -172.7 | -102.3 | 0 | 0 | 0 | 110.9 | Q522 Y525 R559 H561 Q562 D566 T567 A568 F674 P677 L678 | Q522-Y564 HydrophobicContact CG-CE2 4.47Å; Y525-Y564 HydrophobicContact CD1-CD2 4.33Å; Y525-Y564 AromaticContact CD2-CD2 3.65Å; Y525-Y564 HydrophobicContact CD2-CD2 3.65Å; Y525-Y564 HydrophobicContact CD2-CE2 4.45Å; Y525-Y564 HydrophobicContact CE1-CD2 4.47Å; Y525-Y564 AromaticContact CE2-CD2 3.81Å; Y525-Y564 HydrophobicContact CE2-CD2 3.81Å; Y525-Y564 HydrophobicContact CE2-CG 4.3Å; Y525-Y564 AromaticContact CG-CD2 3.94Å; Y525-Y564 HydrophobicContact CG-CD2 3.94Å; Y525-Y564 PolarHBondContact OH-N 3.47Å; R559-Y564 HydrophobicContact CB-CD1 3.61Å; R559-Y564 HydrophobicContact CB-CD2 4.45Å; R559-Y564 HydrophobicContact CB-CE1 3.87Å; R559-Y564 HydrophobicContact CB-CG 3.94Å; R559-Y564 HydrophobicContact CG-CD1 4.02Å; R559-Y564 HydrophobicContact CG-CD2 4.01Å; R559-Y564 HydrophobicContact CG-CE1 4.07Å; R559-Y564 HydrophobicContact CG-CE2 4.05Å; R559-Y564 HydrophobicContact CG-CG 4Å; R559-Y564 VanDerWaalsContact O-CD1 3.28Å; R559-Y564 WeakPolarHBondContact O-CD1 3.33Å; H561-Y564 WeakPolarHBondContact O-CB 3.4Å; H561-Y564 PolarHBondContact O-N 2.9Å; Q562-Y564 VanDerWaalsContact C-N 3.28Å; Q562-Y564 PolarHBondContact O-N 2.83Å; Y564-D566 PolarHBondContact O-N 2.95Å; Y564-T567 PolarHBondContact O-N 3.48Å; Y564-A568 HydrophobicContact CE1-CB 4.28Å; Y564-A568 VanDerWaalsContact O-CB 3.26Å; Y564-A568 WeakPolarHBondContact O-CB 3.46Å; Y564-A568 PolarHBondContact O-N 2.97Å; Y564-F674 PolarHBondContact OH-O 3.26Å; Y564-P677 HydrophobicContact CE1-CB 3.89Å; Y564-P677 WeakPolarHBondContact OH-CG 3.49Å; Y564-L678 HydrophobicContact CD1-CD2 3.49Å; Y564-L678 VanDerWaalsContact CD1-CD2 3.49Å; Y564-L678 HydrophobicContact CD1-CG 4.25Å; Y564-L678 HydrophobicContact CE1-CD2 3.78Å; Y564-L678 HydrophobicContact CE1-CG 4.03Å |
| 565 | F | 94.9 | Very high | 94.4 | Very high | 10 Ų | 10 | 35.7 Ų | 35.7 | 4% | 0.044 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -55.1 | -51.5 | 174.7 | 174.3 | -92.6 | 0 | 0 | 0 | 111.4 | H561 Q562 T567 A568 Q569 L678 I685 E687 A688 L691 | H561-F565 PolarHBondContact O-N 3.14Å; Q562-F565 WeakPolarHBondContact O-CB 3.44Å; Q562-F565 PolarHBondContact O-N 2.94Å; F565-T567 PolarHBondContact O-N 2.88Å; F565-A568 PolarHBondContact O-N 3.34Å; F565-Q569 VanDerWaalsContact O-CB 3.31Å; F565-Q569 WeakPolarHBondContact O-CB 3.3Å; F565-Q569 PolarHBondContact O-N 3.22Å; F565-L678 HydrophobicContact CB-CD2 4.1Å; F565-L678 HydrophobicContact CD2-CD1 3.91Å; F565-L678 HydrophobicContact CD2-CD2 4.17Å; F565-L678 HydrophobicContact CE2-CD1 4.42Å; F565-I685 HydrophobicContact CD2-CD1 3.98Å; F565-I685 HydrophobicContact CD2-CG2 4.05Å; F565-I685 HydrophobicContact CE2-CG2 3.55Å; F565-I685 HydrophobicContact CG-CD1 4.26Å; F565-I685 HydrophobicContact CZ-CG2 3.9Å; F565-E687 HydrophobicContact CE2-CB 4.2Å; F565-E687 HydrophobicContact CZ-CB 3.65Å; F565-A688 HydrophobicContact CE2-CB 4.27Å; F565-L691 HydrophobicContact CE2-CD1 4.46Å |
| 566 | D | 95.8 | Very high | 94.6 | Very high | 31 Ų | 31 | 35.5 Ų | 35.5 | 17% | 0.166 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -59.9 | -43.3 | 179.7 | -75.1 | 3.4 | 0 | 0 | 0 | 112.5 | L499 R503 Q562 Y564 L570 | L499-D566 HydrophobicContact CD1-CB 4.14Å; L499-D566 HydrophobicContact CD2-CB 3.51Å; L499-D566 HydrophobicContact CG-CB 4.45Å; R503-D566 IonicContact CZ-OD2 3.33Å; R503-D566 IonicContact NH2-OD1 2.71Å; R503-D566 IonicContact NH2-OD2 3.64Å; R503-D566 PolarHBondContact NH2-OD2 3.03Å; Q562-D566 PolarHBondContact NE2-OD1 2.87Å; Q562-D566 PolarHBondContact O-N 3.32Å; Y564-D566 PolarHBondContact O-N 2.95Å; D566-L570 VanDerWaalsContact O-CB 3.3Å; D566-L570 WeakPolarHBondContact O-CB 3.47Å; D566-L570 PolarHBondContact O-N 2.82Å |
| 567 | T | 97.3 | Very high | 94.7 | Very high | 2 Ų | 2 | 33.9 Ų | 33.9 | 1% | 0.012 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -65 | -46.2 | 176.5 | -64.9 | 0 | 0 | 0 | 0 | 111.8 | C518 V521 S563 Y564 F565 L570 A571 F674 | C518-T567 HydrophobicContact CB-CG2 3.85Å; V521-T567 HydrophobicContact CB-CG2 3.9Å; V521-T567 HydrophobicContact CG1-CG2 3.85Å; V521-T567 WeakPolarHBondContact CG1-OG1 3.25Å; S563-T567 WeakPolarHBondContact O-CB 3.43Å; S563-T567 PolarHBondContact O-N 3.32Å; S563-T567 VanDerWaalsContact O-N 3.08Å; S563-T567 PolarHBondContact O-OG1 2.87Å; Y564-T567 PolarHBondContact O-N 3.48Å; F565-T567 PolarHBondContact O-N 2.88Å; T567-L570 PolarHBondContact O-N 3.39Å; T567-A571 WeakPolarHBondContact O-CB 3.43Å; T567-A571 PolarHBondContact O-N 3.49Å; T567-F674 HydrophobicContact CG2-CE1 4.34Å |
| 568 | A | 97.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -66.3 | -41.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y564 F565 A571 V572 F674 L678 | Y564-A568 HydrophobicContact CE1-CB 4.28Å; Y564-A568 VanDerWaalsContact O-CB 3.26Å; Y564-A568 WeakPolarHBondContact O-CB 3.46Å; Y564-A568 PolarHBondContact O-N 2.97Å; F565-A568 PolarHBondContact O-N 3.34Å; A568-A571 PolarHBondContact O-N 3.2Å; A568-V572 VanDerWaalsContact O-CB 3.3Å; A568-V572 WeakPolarHBondContact O-CB 3.22Å; A568-V572 WeakPolarHBondContact O-CG2 3.29Å; A568-V572 PolarHBondContact O-N 3.4Å; A568-F674 HydrophobicContact CB-CB 4Å; A568-F674 HydrophobicContact CB-CD1 4.23Å; A568-L678 HydrophobicContact CB-CD1 3.59Å; A568-L678 HydrophobicContact CB-CG 4.07Å |
| 569 | Q | 96.6 | Very high | 95 | Very high | 49 Ų | 49 | 30.4 Ų | 30.4 | 23% | 0.229 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -56.3 | -51.7 | 171.3 | 175.7 | 176.2 | -0.5 | 0 | 0 | 110.7 | F565 A571 V572 E573 L691 | F565-Q569 VanDerWaalsContact O-CB 3.31Å; F565-Q569 WeakPolarHBondContact O-CB 3.3Å; F565-Q569 PolarHBondContact O-N 3.22Å; Q569-A571 PolarHBondContact O-N 3.5Å; Q569-V572 PolarHBondContact O-N 3.25Å; Q569-E573 HydrophobicContact CG-CG 4.39Å; Q569-E573 VanDerWaalsContact CG-OE1 3.29Å; Q569-E573 WeakPolarHBondContact CG-OE1 3.35Å; Q569-E573 PolarHBondContact NE2-OE1 3.34Å; Q569-E573 WeakPolarHBondContact O-CB 3.1Å; Q569-E573 VanDerWaalsContact O-CG 3.29Å; Q569-E573 WeakPolarHBondContact O-CG 3.49Å; Q569-E573 PolarHBondContact O-N 3.41Å; Q569-L691 HydrophobicContact CB-CD1 3.88Å; Q569-L691 HydrophobicContact CG-CD1 4.02Å; Q569-L691 HydrophobicContact CG-CD2 4.33Å |
| 570 | L | 97.9 | Very high | 95 | Very high | 7 Ų | 7 | 29.9 Ų | 29.9 | 4% | 0.037 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -58.7 | -47.7 | -179.7 | -179 | 64.5 | 0 | 0 | 0 | 112.1 | L499 A502 R503 K506 D566 T567 E573 I574 | L499-L570 HydrophobicContact CD1-CD2 4.01Å; A502-L570 HydrophobicContact CB-CD2 3.51Å; R503-L570 HydrophobicContact CG-CD1 4.23Å; R503-L570 HydrophobicContact CG-CD2 3.88Å; K506-L570 HydrophobicContact CB-CD1 4.29Å; K506-L570 HydrophobicContact CD-CD1 3.28Å; K506-L570 HydrophobicContact CG-CD1 4.39Å; D566-L570 VanDerWaalsContact O-CB 3.3Å; D566-L570 WeakPolarHBondContact O-CB 3.47Å; D566-L570 PolarHBondContact O-N 2.82Å; T567-L570 PolarHBondContact O-N 3.39Å; L570-E573 PolarHBondContact O-N 2.97Å; L570-I574 HydrophobicContact CD1-CD1 4.27Å; L570-I574 HydrophobicContact CG-CD1 4.11Å; L570-I574 VanDerWaalsContact O-CG1 3.27Å; L570-I574 WeakPolarHBondContact O-CG1 3.34Å; L570-I574 PolarHBondContact O-N 2.93Å |
| 571 | A | 98.3 | Very high | 95 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -63.2 | -45.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | L515 C518 T567 A568 Q569 E573 I574 Y575 F674 | L515-A571 HydrophobicContact CD2-CB 4.25Å; C518-A571 HydrophobicContact CB-CB 4.04Å; T567-A571 WeakPolarHBondContact O-CB 3.43Å; T567-A571 PolarHBondContact O-N 3.49Å; A568-A571 PolarHBondContact O-N 3.2Å; Q569-A571 PolarHBondContact O-N 3.5Å; A571-E573 PolarHBondContact O-N 3.35Å; A571-I574 PolarHBondContact O-N 3.14Å; A571-Y575 WeakPolarHBondContact O-CD2 3.48Å; A571-Y575 PolarHBondContact O-N 3.44Å; A571-F674 HydrophobicContact CB-CD1 3.85Å; A571-F674 HydrophobicContact CB-CD2 3.87Å; A571-F674 HydrophobicContact CB-CE1 3.86Å; A571-F674 HydrophobicContact CB-CE2 3.9Å; A571-F674 HydrophobicContact CB-CG 3.85Å; A571-F674 HydrophobicContact CB-CZ 3.89Å |
| 572 | V | 97.7 | Very high | 94.9 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -60.7 | -45.9 | 177.1 | 169.5 | 0 | 0 | 0 | 0 | 110.6 | A568 Q569 I574 Y575 L576 A671 F674 L675 L691 V695 | A568-V572 VanDerWaalsContact O-CB 3.3Å; A568-V572 WeakPolarHBondContact O-CB 3.22Å; A568-V572 WeakPolarHBondContact O-CG2 3.29Å; A568-V572 PolarHBondContact O-N 3.4Å; Q569-V572 PolarHBondContact O-N 3.25Å; V572-I574 VanDerWaalsContact C-N 3.34Å; V572-I574 PolarHBondContact O-N 2.75Å; V572-Y575 PolarHBondContact O-N 2.85Å; V572-L576 HydrophobicContact CG1-CD1 3.75Å; V572-L576 HydrophobicContact CG1-CG 4.15Å; V572-L576 WeakPolarHBondContact O-CB 3.38Å; V572-L576 WeakPolarHBondContact O-CG 3.43Å; V572-L576 PolarHBondContact O-N 2.76Å; V572-A671 HydrophobicContact CG1-CB 4.43Å; V572-A671 HydrophobicContact CG2-CB 4.24Å; V572-A671 WeakPolarHBondContact CG2-O 3.47Å; V572-F674 HydrophobicContact CG2-CB 4.16Å; V572-L675 HydrophobicContact CG2-CB 4.42Å; V572-L691 HydrophobicContact CB-CD2 4.44Å; V572-L691 HydrophobicContact CG1-CB 4.48Å; V572-L691 HydrophobicContact CG1-CD2 3.93Å; V572-V695 HydrophobicContact CG1-CG2 3.79Å |
| 573 | E | 95.7 | Very high | 94.5 | Very high | 53 Ų | 53 | 26.2 Ų | 26.2 | 25% | 0.248 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -59.1 | -43.3 | 176.8 | -75.2 | 175.6 | -170.2 | 0 | 0 | 112.4 | K506 Q569 L570 A571 L576 Q577 | K506-E573 IonicContact NZ-OE2 3.1Å; K506-E573 PolarHBondContact NZ-OE2 3.02Å; Q569-E573 HydrophobicContact CG-CG 4.39Å; Q569-E573 VanDerWaalsContact CG-OE1 3.29Å; Q569-E573 WeakPolarHBondContact CG-OE1 3.35Å; Q569-E573 PolarHBondContact NE2-OE1 3.34Å; Q569-E573 WeakPolarHBondContact O-CB 3.1Å; Q569-E573 VanDerWaalsContact O-CG 3.29Å; Q569-E573 WeakPolarHBondContact O-CG 3.49Å; Q569-E573 PolarHBondContact O-N 3.41Å; L570-E573 PolarHBondContact O-N 2.97Å; A571-E573 PolarHBondContact O-N 3.35Å; E573-L576 PolarHBondContact O-N 2.98Å; E573-Q577 WeakPolarHBondContact O-CB 3.46Å; E573-Q577 PolarHBondContact O-N 2.99Å |
| 574 | I | 97 | Very high | 93.6 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -64.4 | -46 | 176.8 | -65.1 | 164.5 | 0 | 0 | 0 | 110.4 | K506 F511 A514 L515 L570 A571 V572 L576 Q577 L578 | K506-I574 HydrophobicContact CB-CD1 4.18Å; K506-I574 HydrophobicContact CB-CG1 4.42Å; K506-I574 HydrophobicContact CD-CD1 4.3Å; K506-I574 HydrophobicContact CD-CG1 3.91Å; K506-I574 HydrophobicContact CG-CD1 4.32Å; K506-I574 HydrophobicContact CG-CG1 4.01Å; F511-I574 HydrophobicContact CB-CG2 3.82Å; F511-I574 HydrophobicContact CD1-CG1 4.35Å; F511-I574 HydrophobicContact CD1-CG2 3.83Å; F511-I574 HydrophobicContact CG-CG2 4.13Å; A514-I574 HydrophobicContact CB-CD1 3.77Å; L515-I574 HydrophobicContact CD1-CG2 3.8Å; L515-I574 HydrophobicContact CD2-CB 4.07Å; L515-I574 HydrophobicContact CD2-CD1 4.24Å; L515-I574 HydrophobicContact CD2-CG2 3.97Å; L515-I574 HydrophobicContact CG-CB 4.37Å; L515-I574 HydrophobicContact CG-CD1 4.34Å; L515-I574 HydrophobicContact CG-CG2 3.76Å; L570-I574 HydrophobicContact CD1-CD1 4.27Å; L570-I574 HydrophobicContact CG-CD1 4.11Å; L570-I574 VanDerWaalsContact O-CG1 3.27Å; L570-I574 WeakPolarHBondContact O-CG1 3.34Å; L570-I574 PolarHBondContact O-N 2.93Å; A571-I574 PolarHBondContact O-N 3.14Å; V572-I574 VanDerWaalsContact C-N 3.34Å; V572-I574 PolarHBondContact O-N 2.75Å; I574-L576 PolarHBondContact O-N 3.25Å; I574-Q577 WeakPolarHBondContact O-CB 3.34Å; I574-Q577 PolarHBondContact O-N 3.03Å; I574-Q577 VanDerWaalsContact O-N 3.15Å; I574-L578 HydrophobicContact CG2-CD1 3.96Å; I574-L578 HydrophobicContact CG2-CG 4.24Å; I574-L578 WeakPolarHBondContact O-CG 3.42Å; I574-L578 PolarHBondContact O-N 3.42Å |
| 575 | Y | 97.9 | Very high | 91.5 | Very high | 1 Ų | 1 | 34.3 Ų | 34.3 | 0% | 0.004 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -66 | -36.4 | 179.1 | -77.3 | -53 | 0 | 0 | 0 | 113.2 | L515 H519 A571 V572 Q577 L578 Y579 P664 P667 E670 A671 F674 | L515-Y575 HydrophobicContact CD1-CD1 4.22Å; L515-Y575 HydrophobicContact CD1-CE1 3.63Å; L515-Y575 HydrophobicContact CD2-CD2 4.1Å; L515-Y575 HydrophobicContact CD2-CE1 4.14Å; L515-Y575 HydrophobicContact CD2-CE2 3.64Å; H519-Y575 PolarHBondContact NE2-OH 2.58Å; A571-Y575 WeakPolarHBondContact O-CD2 3.48Å; A571-Y575 PolarHBondContact O-N 3.44Å; V572-Y575 PolarHBondContact O-N 2.85Å; Y575-Q577 VanDerWaalsContact C-N 3.29Å; Y575-Q577 PolarHBondContact O-N 3.48Å; Y575-L578 HydrophobicContact CD1-CD1 4.3Å; Y575-L578 PolarHBondContact O-N 2.91Å; Y575-Y579 WeakPolarHBondContact O-CB 3.46Å; Y575-Y579 PolarHBondContact O-N 3.21Å; Y575-P664 HydrophobicContact CD1-CG 4.03Å; Y575-P664 HydrophobicContact CE1-CB 4.29Å; Y575-P664 HydrophobicContact CE1-CG 3.93Å; Y575-P667 WeakPolarHBondContact CB-O 3.33Å; Y575-P667 HydrophobicContact CD1-CB 4.18Å; Y575-P667 WeakPolarHBondContact O-CB 3.33Å; Y575-E670 HydrophobicContact CD1-CB 4.09Å; Y575-E670 HydrophobicContact CD2-CB 4.02Å; Y575-E670 HydrophobicContact CE1-CB 3.74Å; Y575-E670 HydrophobicContact CE1-CG 4.25Å; Y575-E670 HydrophobicContact CE2-CB 3.65Å; Y575-E670 HydrophobicContact CG-CB 4.23Å; Y575-A671 HydrophobicContact CD2-CB 4.36Å; Y575-A671 HydrophobicContact CG-CB 4.48Å; Y575-F674 HydrophobicContact CE2-CD2 4.22Å; Y575-F674 HydrophobicContact CE2-CE2 4Å |
| 576 | L | 95.2 | Very high | 89.1 | Confident | 15 Ų | 15 | 38.6 Ų | 38.6 | 8% | 0.079 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -61.9 | -40.1 | 171.7 | -71.8 | 170.7 | 0 | 0 | 0 | 111.1 | V572 E573 I574 Y579 S580 L668 E694 V695 | V572-L576 HydrophobicContact CG1-CD1 3.75Å; V572-L576 HydrophobicContact CG1-CG 4.15Å; V572-L576 WeakPolarHBondContact O-CB 3.38Å; V572-L576 WeakPolarHBondContact O-CG 3.43Å; V572-L576 PolarHBondContact O-N 2.76Å; E573-L576 PolarHBondContact O-N 2.98Å; I574-L576 PolarHBondContact O-N 3.25Å; L576-Y579 PolarHBondContact O-N 3.43Å; L576-S580 PolarHBondContact O-N 3.06Å; L576-S580 VanDerWaalsContact O-N 3.12Å; L576-S580 PolarHBondContact O-OG 3.38Å; L576-L668 HydrophobicContact CD2-CD2 4.04Å; L576-E694 HydrophobicContact CD1-CB 3.7Å; L576-E694 HydrophobicContact CD1-CG 4.47Å; L576-E694 HydrophobicContact CD2-CB 4.38Å; L576-V695 HydrophobicContact CD2-CG2 4.05Å; L576-V695 HydrophobicContact CG-CG2 4.49Å |
| 577 | Q | 93.2 | Very high | 86.1 | Confident | 31 Ų | 31 | 43.7 Ų | 43.7 | 15% | 0.145 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -67 | -44.5 | 175.1 | -176.9 | 170.4 | -8.2 | 0 | 0 | 112 | E573 I574 Y575 Y579 S580 Q581 W834 | E573-Q577 WeakPolarHBondContact O-CB 3.46Å; E573-Q577 PolarHBondContact O-N 2.99Å; I574-Q577 WeakPolarHBondContact O-CB 3.34Å; I574-Q577 PolarHBondContact O-N 3.03Å; I574-Q577 VanDerWaalsContact O-N 3.15Å; Y575-Q577 VanDerWaalsContact C-N 3.29Å; Y575-Q577 PolarHBondContact O-N 3.48Å; Q577-Y579 VanDerWaalsContact C-N 3.29Å; Q577-Y579 PolarHBondContact O-N 3.3Å; Q577-S580 PolarHBondContact O-N 2.81Å; Q577-Q581 PolarHBondContact O-N 3.34Å; Q577-W834 HydrophobicContact CG-CE3 4.48Å; Q577-W834 HydrophobicContact CG-CZ3 4.18Å |
| 578 | L | 94.3 | Very high | 83 | Confident | 5 Ų | 5 | 51 Ų | 51 | 3% | 0.026 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -65.7 | -30.6 | 176.9 | -69.6 | 175.1 | 0 | 0 | 0 | 112.7 | F511 L515 I574 Y575 Q581 P582 L583 | F511-L578 HydrophobicContact CB-CD2 4.35Å; F511-L578 HydrophobicContact CD2-CD2 4.18Å; F511-L578 HydrophobicContact CG-CD2 4.4Å; L515-L578 HydrophobicContact CD1-CD1 3.82Å; I574-L578 HydrophobicContact CG2-CD1 3.96Å; I574-L578 HydrophobicContact CG2-CG 4.24Å; I574-L578 WeakPolarHBondContact O-CG 3.42Å; I574-L578 PolarHBondContact O-N 3.42Å; Y575-L578 HydrophobicContact CD1-CD1 4.3Å; Y575-L578 PolarHBondContact O-N 2.91Å; L578-Q581 CarbonylContact O-C 3.07Å; L578-P582 WeakPolarHBondContact O-CA 3.25Å; L578-P582 WeakPolarHBondContact O-CD 3.41Å; L578-P582 WeakPolarHBondContact O-CG 3.42Å; L578-P582 VanDerWaalsContact O-N 3.12Å; L578-L583 HydrophobicContact CD2-CD1 4.36Å; L578-L583 HydrophobicContact CD2-CG 4.01Å |
| 579 | Y | 94.3 | Very high | 79.6 | Confident | 103 Ų | 103 | 54.9 Ų | 54.9 | 40% | 0.404 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -66.1 | -47.3 | 171.2 | 174.6 | -95.8 | 0 | 0 | 0 | 111.7 | Y575 L576 Q577 P667 L668 R698 | Y575-Y579 WeakPolarHBondContact O-CB 3.46Å; Y575-Y579 PolarHBondContact O-N 3.21Å; L576-Y579 PolarHBondContact O-N 3.43Å; Q577-Y579 VanDerWaalsContact C-N 3.29Å; Q577-Y579 PolarHBondContact O-N 3.3Å; Y579-P667 HydrophobicContact CD2-CG 4.47Å; Y579-L668 HydrophobicContact CD1-CD2 4.21Å; Y579-L668 HydrophobicContact CD2-CD1 3.71Å; Y579-L668 HydrophobicContact CD2-CD2 4.01Å; Y579-L668 HydrophobicContact CD2-CG 3.56Å; Y579-L668 HydrophobicContact CE1-CD1 4.31Å; Y579-L668 HydrophobicContact CE2-CD1 3.48Å; Y579-L668 VanDerWaalsContact CE2-CD1 3.48Å; Y579-L668 HydrophobicContact CE2-CG 3.9Å; Y579-L668 HydrophobicContact CG-CD1 4.21Å; Y579-L668 HydrophobicContact CG-CD2 3.8Å; Y579-L668 HydrophobicContact CG-CG 3.9Å; Y579-R698 HydrophobicContact CD1-CB 4.29Å; Y579-R698 HydrophobicContact CD1-CG 4.2Å; Y579-R698 HydrophobicContact CE1-CB 3.83Å; Y579-R698 HydrophobicContact CE1-CG 3.93Å |
| 580 | S | 91.1 | Very high | 76.9 | Confident | 42 Ų | 42 | 57.8 Ų | 57.8 | 29% | 0.294 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -72.3 | -31.7 | 179.8 | -69.2 | 0 | 0 | 0 | 0 | 112.9 | L576 Q577 W834 | L576-S580 PolarHBondContact O-N 3.06Å; L576-S580 VanDerWaalsContact O-N 3.12Å; L576-S580 PolarHBondContact O-OG 3.38Å; Q577-S580 PolarHBondContact O-N 2.81Å; S580-W834 PolarHBondContact OG-O 3.18Å |
| 581 | Q | 88.9 | Confident | 73.5 | Confident | 70 Ų | 70 | 66.1 Ų | 66.1 | 33% | 0.327 | 35% | 0.353 | S | S | . | . | S | Bend | trans | -140.6 | 84.8 | 179.9 | -170.6 | 178.4 | 17 | 0 | 0 | 110.6 | Q577 L578 W834 | Q577-Q581 PolarHBondContact O-N 3.34Å; L578-Q581 CarbonylContact O-C 3.07Å; Q581-W834 VanDerWaalsContact OE1-CZ2 3.24Å |
| 582 | P | 89.7 | Confident | 70.2 | Confident | 63 Ų | 63 | 68.7 Ų | 68.7 | 41% | 0.409 | 38% | 0.38 | S | S | . | . | trans | -59.5 | 141.4 | 173.2 | -23.8 | 33.5 | 0 | 0 | 0 | 111.1 | L578 D584 S585 | L578-P582 WeakPolarHBondContact O-CA 3.25Å; L578-P582 WeakPolarHBondContact O-CD 3.41Å; L578-P582 WeakPolarHBondContact O-CG 3.42Å; L578-P582 VanDerWaalsContact O-N 3.12Å; P582-D584 PolarHBondContact O-N 2.94Å; P582-D584 VanDerWaalsContact O-N 3.14Å; P582-S585 WeakPolarHBondContact CD-OG 3.46Å; P582-S585 WeakPolarHBondContact O-CB 3.43Å; P582-S585 PolarHBondContact O-N 2.91Å; P582-S585 PolarHBondContact O-OG 3.11Å | ||
| 583 | L | 84.4 | Confident | 67 | Low | 53 Ų | 53 | 77.9 Ų | 77.9 | 28% | 0.277 | 42% | 0.423 | S | S | . | . | G | 310 helix | trans | -60.9 | -28.1 | -178.6 | -71.4 | 175.7 | 0 | 0 | 0 | 113.7 | F511 L578 S585 I586 A662 | F511-L583 HydrophobicContact CD2-CD2 4.16Å; F511-L583 HydrophobicContact CE2-CD2 4.45Å; L578-L583 HydrophobicContact CD2-CD1 4.36Å; L578-L583 HydrophobicContact CD2-CG 4.01Å; L583-S585 VanDerWaalsContact C-N 3.26Å; L583-S585 PolarHBondContact O-N 3.02Å; L583-I586 HydrophobicContact CD2-CD1 4.44Å; L583-A662 HydrophobicContact CD1-CB 3.69Å |
| 584 | D | 72.6 | Confident | 63.8 | Low | 122 Ų | 122 | 80.2 Ų | 80.2 | 65% | 0.652 | 44% | 0.437 | S | S | * | . | G | 310 helix | trans | -79.1 | -10 | 177.2 | -58.9 | -28.9 | 0 | 0 | 0 | 112.6 | P582 R663 | P582-D584 PolarHBondContact O-N 2.94Å; P582-D584 VanDerWaalsContact O-N 3.14Å; D584-R663 IonicContact OD1-CZ 2.76Å; D584-R663 IonicContact OD1-NE 3.66Å; D584-R663 PolarHBondContact OD1-NE 2.96Å; D584-R663 IonicContact OD1-NH2 3.07Å; D584-R663 WeakPolarHBondContact OD2-CD 3.45Å; D584-R663 IonicContact OD2-NE 3.76Å |
| 585 | S | 51 | Low | 60.9 | Low | 64 Ų | 64 | 88.6 Ų | 88.6 | 45% | 0.448 | 48% | 0.482 | S | S | . | . | G | 310 helix | trans | -86.7 | -1.7 | 175.8 | 74.4 | 0 | 0 | 0 | 0 | 114.2 | P582 L583 D587 | P582-S585 WeakPolarHBondContact CD-OG 3.46Å; P582-S585 WeakPolarHBondContact O-CB 3.43Å; P582-S585 PolarHBondContact O-N 2.91Å; P582-S585 PolarHBondContact O-OG 3.11Å; L583-S585 VanDerWaalsContact C-N 3.26Å; L583-S585 PolarHBondContact O-N 3.02Å; S585-D587 PolarHBondContact O-N 3.46Å |
| 586 | I | 44.7 | Very low | 58.2 | Low | 99 Ų | 99 | 92.5 Ų | 92.5 | 51% | 0.508 | 52% | 0.522 | S | S | . | . | trans | -71.2 | 86.6 | 168.5 | -55.9 | 172.7 | 0 | 0 | 0 | 106.8 | L583 E588 | L583-I586 HydrophobicContact CD2-CD1 4.44Å; I586-E588 PolarHBondContact O-N 3.18Å | ||
| 587 | D | 34.2 | Very low | 55.4 | Low | 138 Ų | 138 | 96.3 Ų | 96.3 | 74% | 0.738 | 54% | 0.541 | S | S | * | . | trans | -45.9 | 134.1 | 165.4 | -97.8 | -34 | 0 | 0 | 0 | 108.7 | S585 S589 | S585-D587 PolarHBondContact O-N 3.46Å; D587-S589 PolarHBondContact O-N 3.07Å; D587-S589 PolarHBondContact O-OG 3.01Å | ||
| 588 | E | 31.6 | Very low | 53 | Low | 155 Ų | 155 | 97.7 Ų | 97.7 | 72% | 0.724 | 55% | 0.554 | S | S | * | * | trans | -58.2 | 72.6 | 172.7 | -65.6 | -175 | 153.2 | 0 | 0 | 110.3 | I586 K603 | I586-E588 PolarHBondContact O-N 3.18Å; E588-K603 VanDerWaalsContact CD-NZ 3.29Å; E588-K603 WeakPolarHBondContact OE1-CE 3.45Å; E588-K603 IonicContact OE1-NZ 2.73Å; E588-K603 PolarHBondContact OE1-NZ 3.17Å; E588-K603 VanDerWaalsContact OE1-NZ 3.07Å; E588-K603 IonicContact OE2-NZ 2.99Å; E588-K603 PolarHBondContact OE2-NZ 2.96Å | ||
| 589 | S | 26.1 | Very low | 51 | Low | 83 Ų | 83 | 102 Ų | 102 | 58% | 0.58 | 58% | 0.584 | S | S | * | * | trans | -107 | 122.3 | 171.8 | 56.2 | 0 | 0 | 0 | 0 | 108.4 | D587 H591 | D587-S589 PolarHBondContact O-N 3.07Å; D587-S589 PolarHBondContact O-OG 3.01Å; S589-H591 PolarHBondContact O-N 3.07Å | ||
| 590 | P | 39.4 | Very low | 49.1 | Very low | 109 Ų | 109 | 100.5 Ų | 100.5 | 71% | 0.708 | 59% | 0.589 | S | S | * | * | trans | -83.4 | 52.4 | -166.6 | 34.8 | -35.9 | 0 | 0 | 0 | 112.4 | ||||
| 591 | H | 25.8 | Very low | 47.4 | Very low | 183 Ų | 183 | 103.1 Ų | 103.1 | 85% | 0.847 | 60% | 0.596 | S | S | * | * | trans | -113.3 | 63.6 | 170.4 | -67.7 | -46.3 | 0 | 0 | 0 | 109.8 | S589 | S589-H591 PolarHBondContact O-N 3.07Š| ||
| 592 | G | 29.7 | Very low | 45.5 | Very low | 54 Ų | 54 | 101.3 Ų | 101.3 | 56% | 0.557 | 59% | 0.593 | S | S | * | * | S | Bend | trans | -140.2 | 93.1 | 165.3 | 0 | 0 | 0 | 0 | 0 | 106.6 | N594 | G592-N594 PolarHBondContact O-N 2.97Š|
| 593 | E | 30.3 | Very low | 43.7 | Very low | 193 Ų | 193 | 103.1 Ų | 103.1 | 90% | 0.902 | 60% | 0.595 | S | S | * | * | S | Bend | trans | 15.4 | 80.9 | 159.1 | -65.9 | 173.6 | 171.3 | 0 | 0 | 114.7 | ||
| 594 | N | 29.5 | Very low | 42.8 | Very low | 101 Ų | 101 | 107.9 Ų | 107.9 | 54% | 0.54 | 61% | 0.613 | S | S | . | * | trans | -142.1 | 70.4 | 158 | -87 | -55.2 | 0 | 0 | 0 | 105.8 | G592 G596 | G592-N594 PolarHBondContact O-N 2.97Å; N594-G596 PolarHBondContact O-N 2.91Å; N594-G596 VanDerWaalsContact O-N 3.07Å | ||
| 595 | D | 35.1 | Very low | 42.2 | Very low | 177 Ų | 177 | 105.5 Ų | 105.5 | 95% | 0.947 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.2 | 113.2 | 169 | -93.3 | -26.6 | 0 | 0 | 0 | 108.6 | ||
| 596 | G | 42.1 | Very low | 42.3 | Very low | 83 Ų | 83 | 111.2 Ų | 111.2 | 86% | 0.856 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 113.6 | -7.2 | 164.7 | 0 | 0 | 0 | 0 | 0 | 118.2 | N594 | N594-G596 PolarHBondContact O-N 2.91Å; N594-G596 VanDerWaalsContact O-N 3.07Å |
| 597 | M | 35.9 | Very low | 43.4 | Very low | 94 Ų | 94 | 110.5 Ų | 110.5 | 46% | 0.463 | 61% | 0.609 | S | S | . | * | trans | -108.8 | 137.5 | 175.8 | -81.8 | -168.9 | -83.8 | 0 | 0 | 112.9 | E601 L605 | M597-E601 HydrophobicContact CB-CB 4.4Å; M597-E601 HydrophobicContact SD-CB 4.48Å; M597-L605 HydrophobicContact CE-CD2 4.3Å | ||
| 598 | S | 42.6 | Very low | 45.1 | Very low | 60 Ų | 60 | 111.3 Ų | 111.3 | 42% | 0.42 | 61% | 0.606 | S | S | . | * | trans | -62.8 | 148 | 179.6 | 72.7 | 0 | 0 | 0 | 0 | 111.4 | S600 E601 A602 | S598-S600 PolarHBondContact O-N 3.41Å; S598-E601 PolarHBondContact N-OE2 2.92Å; S598-E601 PolarHBondContact O-N 3.39Å; S598-E601 PolarHBondContact OG-OE2 3.34Å; S598-E601 VanDerWaalsContact OG-OE2 3.13Å; S598-A602 PolarHBondContact O-N 3.32Å | ||
| 599 | S | 51.8 | Low | 46.8 | Very low | 96 Ų | 96 | 109.4 Ų | 109.4 | 67% | 0.671 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -47 | -32.6 | 179.7 | 165.8 | 0 | 0 | 0 | 0 | 114.1 | K603 | S599-K603 WeakPolarHBondContact O-CB 3.46Å; S599-K603 PolarHBondContact O-N 2.86Å |
| 600 | S | 53.8 | Low | 48.4 | Very low | 71 Ų | 71 | 113.1 Ų | 113.1 | 50% | 0.497 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -73.2 | -33.1 | 177.5 | 87.2 | 0 | 0 | 0 | 0 | 114 | S598 K604 | S598-S600 PolarHBondContact O-N 3.41Å; S600-K604 WeakPolarHBondContact O-CG 3.41Å; S600-K604 PolarHBondContact O-N 3.12Å; S600-K604 VanDerWaalsContact O-N 3.13Å |
| 601 | E | 55.3 | Low | 49.6 | Very low | 97 Ų | 97 | 115.1 Ų | 115.1 | 45% | 0.453 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -77.6 | -42.3 | 179.9 | -74.7 | 170.6 | 144.2 | 0 | 0 | 111.1 | M597 S598 K603 K604 L605 | M597-E601 HydrophobicContact CB-CB 4.4Å; M597-E601 HydrophobicContact SD-CB 4.48Å; S598-E601 PolarHBondContact N-OE2 2.92Å; S598-E601 PolarHBondContact O-N 3.39Å; S598-E601 PolarHBondContact OG-OE2 3.34Å; S598-E601 VanDerWaalsContact OG-OE2 3.13Å; E601-K603 VanDerWaalsContact C-N 3.3Å; E601-K603 PolarHBondContact O-N 3.46Å; E601-K604 PolarHBondContact O-N 3.3Å; E601-L605 WeakPolarHBondContact O-CB 3.26Å; E601-L605 PolarHBondContact O-N 3.26Å |
| 602 | A | 50.2 | Low | 51.5 | Low | 32 Ų | 32 | 109 Ų | 109 | 26% | 0.264 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -57.6 | -43 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | S598 L605 R606 | S598-A602 PolarHBondContact O-N 3.32Å; A602-L605 PolarHBondContact O-N 2.79Å; A602-R606 WeakPolarHBondContact O-CB 3.44Å; A602-R606 PolarHBondContact O-N 3.18Å |
| 603 | K | 52.7 | Low | 53.1 | Low | 101 Ų | 101 | 109.3 Ų | 109.3 | 44% | 0.439 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -67.3 | -38.9 | 176.9 | -166.1 | 163.5 | -173.7 | 159.3 | 0 | 112.8 | E588 S599 E601 N607 | E588-K603 VanDerWaalsContact CD-NZ 3.29Å; E588-K603 WeakPolarHBondContact OE1-CE 3.45Å; E588-K603 IonicContact OE1-NZ 2.73Å; E588-K603 PolarHBondContact OE1-NZ 3.17Å; E588-K603 VanDerWaalsContact OE1-NZ 3.07Å; E588-K603 IonicContact OE2-NZ 2.99Å; E588-K603 PolarHBondContact OE2-NZ 2.96Å; S599-K603 WeakPolarHBondContact O-CB 3.46Å; S599-K603 PolarHBondContact O-N 2.86Å; E601-K603 VanDerWaalsContact C-N 3.3Å; E601-K603 PolarHBondContact O-N 3.46Å; K603-N607 WeakPolarHBondContact O-CB 3.48Å; K603-N607 PolarHBondContact O-N 3.4Å |
| 604 | K | 63.7 | Low | 54.8 | Low | 153 Ų | 153 | 106.3 Ų | 106.3 | 67% | 0.665 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -65.7 | -43.7 | 174 | -81 | 178.2 | -179 | 173 | 0 | 111.9 | S600 E601 N607 K608 | S600-K604 WeakPolarHBondContact O-CG 3.41Å; S600-K604 PolarHBondContact O-N 3.12Å; S600-K604 VanDerWaalsContact O-N 3.13Å; E601-K604 PolarHBondContact O-N 3.3Å; K604-N607 PolarHBondContact O-N 3.43Å; K604-K608 VanDerWaalsContact O-CB 3.26Å; K604-K608 WeakPolarHBondContact O-CB 3.5Å; K604-K608 PolarHBondContact O-N 3.19Å |
| 605 | L | 61 | Low | 56.7 | Low | 72 Ų | 72 | 110.6 Ų | 110.6 | 38% | 0.377 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -62.5 | -45.3 | 178.2 | -171.7 | 68.1 | 0 | 0 | 0 | 110.9 | M597 E601 A602 K608 Q609 | M597-L605 HydrophobicContact CE-CD2 4.3Å; E601-L605 WeakPolarHBondContact O-CB 3.26Å; E601-L605 PolarHBondContact O-N 3.26Å; A602-L605 PolarHBondContact O-N 2.79Å; L605-K608 WeakPolarHBondContact O-CB 3.44Å; L605-K608 PolarHBondContact O-N 3.4Å; L605-Q609 WeakPolarHBondContact O-CG 3.41Å; L605-Q609 PolarHBondContact O-N 3.43Å |
| 606 | R | 52.8 | Low | 58.1 | Low | 185 Ų | 185 | 105 Ų | 105 | 70% | 0.698 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -68.9 | -38 | 179.8 | -145.9 | 173.6 | -173.5 | -167.2 | 1.8 | 112.8 | A602 Q609 R610 | A602-R606 WeakPolarHBondContact O-CB 3.44Å; A602-R606 PolarHBondContact O-N 3.18Å; R606-Q609 PolarHBondContact O-N 3.12Å; R606-R610 WeakPolarHBondContact O-CB 3.42Å; R606-R610 PolarHBondContact O-N 2.88Å |
| 607 | N | 68.3 | Low | 59 | Low | 84 Ų | 84 | 105 Ų | 105 | 45% | 0.449 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -67.7 | -34.7 | 171.4 | -86.8 | -25.8 | 0 | 0 | 0 | 112.8 | K603 K604 K611 | K603-N607 WeakPolarHBondContact O-CB 3.48Å; K603-N607 PolarHBondContact O-N 3.4Å; K604-N607 PolarHBondContact O-N 3.43Å; N607-K611 WeakPolarHBondContact O-CB 3.39Å; N607-K611 PolarHBondContact O-N 3.25Å |
| 608 | K | 69.9 | Low | 60.4 | Low | 154 Ų | 154 | 102.9 Ų | 102.9 | 67% | 0.67 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -65.6 | -44.4 | 173 | -171.5 | -179.5 | 178.5 | -173.7 | 0 | 110.6 | K604 L605 K611 A612 | K604-K608 VanDerWaalsContact O-CB 3.26Å; K604-K608 WeakPolarHBondContact O-CB 3.5Å; K604-K608 PolarHBondContact O-N 3.19Å; L605-K608 WeakPolarHBondContact O-CB 3.44Å; L605-K608 PolarHBondContact O-N 3.4Å; K608-K611 PolarHBondContact O-N 3.32Å; K608-A612 WeakPolarHBondContact O-CB 3.21Å; K608-A612 PolarHBondContact O-N 2.7Å |
| 609 | Q | 66.2 | Low | 61.6 | Low | 116 Ų | 116 | 106.7 Ų | 106.7 | 54% | 0.542 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -61.5 | -44.5 | 173 | -74.3 | 173.2 | -11.2 | 0 | 0 | 111.9 | L605 R606 K611 A612 A613 | L605-Q609 WeakPolarHBondContact O-CG 3.41Å; L605-Q609 PolarHBondContact O-N 3.43Å; R606-Q609 PolarHBondContact O-N 3.12Å; Q609-K611 PolarHBondContact O-N 3.39Å; Q609-A612 WeakPolarHBondContact O-CB 3.28Å; Q609-A612 PolarHBondContact O-N 3.4Å; Q609-A613 WeakPolarHBondContact O-CB 3.42Å; Q609-A613 PolarHBondContact O-N 2.67Å |
| 610 | R | 59.8 | Low | 62.1 | Low | 161 Ų | 161 | 104.1 Ų | 104.1 | 61% | 0.608 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -63.3 | -40.3 | 176.7 | -171.3 | 178.7 | 177.2 | -171.8 | 1.6 | 112.7 | R606 K614 | R606-R610 WeakPolarHBondContact O-CB 3.42Å; R606-R610 PolarHBondContact O-N 2.88Å; R610-K614 WeakPolarHBondContact O-CB 3.4Å; R610-K614 PolarHBondContact O-N 2.9Å |
| 611 | K | 64.5 | Low | 62.5 | Low | 151 Ų | 151 | 103.4 Ų | 103.4 | 66% | 0.657 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -68.3 | -36.3 | 173.4 | -84.1 | -176.5 | 176 | 178.1 | 0 | 112 | N607 K608 Q609 R615 | N607-K611 WeakPolarHBondContact O-CB 3.39Å; N607-K611 PolarHBondContact O-N 3.25Å; K608-K611 PolarHBondContact O-N 3.32Å; Q609-K611 PolarHBondContact O-N 3.39Å; K611-R615 WeakPolarHBondContact O-CB 3.44Å; K611-R615 VanDerWaalsContact O-CG 3.29Å; K611-R615 WeakPolarHBondContact O-CG 3.41Å; K611-R615 PolarHBondContact O-N 3.39Å |
| 612 | A | 65.8 | Low | 63.1 | Low | 55 Ų | 55 | 108 Ų | 108 | 46% | 0.455 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -66.7 | -46.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | K608 Q609 R615 A616 | K608-A612 WeakPolarHBondContact O-CB 3.21Å; K608-A612 PolarHBondContact O-N 2.7Å; Q609-A612 WeakPolarHBondContact O-CB 3.28Å; Q609-A612 PolarHBondContact O-N 3.4Å; A612-R615 PolarHBondContact O-N 3.17Å; A612-R615 VanDerWaalsContact O-N 3.17Å; A612-A616 WeakPolarHBondContact O-CB 3.22Å; A612-A616 PolarHBondContact O-N 3.23Å |
| 613 | A | 62.9 | Low | 63.8 | Low | 60 Ų | 60 | 109.2 Ų | 109.2 | 50% | 0.496 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -59.7 | -48.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q609 R615 A616 E617 | Q609-A613 WeakPolarHBondContact O-CB 3.42Å; Q609-A613 PolarHBondContact O-N 2.67Å; A613-R615 VanDerWaalsContact C-N 3.29Å; A613-R615 PolarHBondContact O-N 3.16Å; A613-A616 PolarHBondContact O-N 3.17Å; A613-E617 VanDerWaalsContact O-CB 3.28Å; A613-E617 WeakPolarHBondContact O-CB 3.46Å; A613-E617 PolarHBondContact O-N 3.22Å |
| 614 | K | 66.2 | Low | 64.2 | Low | 130 Ų | 130 | 109.8 Ų | 109.8 | 57% | 0.565 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -61.2 | -34.6 | 174.5 | -87.8 | -167.7 | 171.1 | -169 | 0 | 113.5 | R610 A618 | R610-K614 WeakPolarHBondContact O-CB 3.4Å; R610-K614 PolarHBondContact O-N 2.9Å; K614-A618 VanDerWaalsContact O-CB 3.27Å; K614-A618 WeakPolarHBondContact O-CB 3.35Å; K614-A618 PolarHBondContact O-N 3.31Å |
| 615 | R | 69.1 | Low | 64.2 | Low | 191 Ų | 191 | 104.7 Ų | 104.7 | 72% | 0.721 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -71.2 | -45.4 | 176 | -80.9 | 177.7 | 177.5 | -174.5 | -2.2 | 111.1 | K611 A612 A613 E617 A618 E619 | K611-R615 WeakPolarHBondContact O-CB 3.44Å; K611-R615 VanDerWaalsContact O-CG 3.29Å; K611-R615 WeakPolarHBondContact O-CG 3.41Å; K611-R615 PolarHBondContact O-N 3.39Å; A612-R615 PolarHBondContact O-N 3.17Å; A612-R615 VanDerWaalsContact O-N 3.17Å; A613-R615 VanDerWaalsContact C-N 3.29Å; A613-R615 PolarHBondContact O-N 3.16Å; R615-E617 VanDerWaalsContact C-N 3.32Å; R615-E617 PolarHBondContact O-N 3.35Å; R615-A618 PolarHBondContact O-N 3.29Å; R615-E619 VanDerWaalsContact O-CB 3.24Å; R615-E619 WeakPolarHBondContact O-CB 3.4Å; R615-E619 PolarHBondContact O-N 3.17Å |
| 616 | A | 66 | Low | 64.4 | Low | 58 Ų | 58 | 106 Ų | 106 | 48% | 0.479 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61.4 | -40.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | A612 A613 E619 A620 | A612-A616 WeakPolarHBondContact O-CB 3.22Å; A612-A616 PolarHBondContact O-N 3.23Å; A613-A616 PolarHBondContact O-N 3.17Å; A616-E619 PolarHBondContact O-N 3.48Å; A616-A620 WeakPolarHBondContact O-CB 3.5Å; A616-A620 PolarHBondContact O-N 3.49Å |
| 617 | E | 60.7 | Low | 64.9 | Low | 85 Ų | 85 | 102 Ų | 102 | 40% | 0.397 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.9 | -45.7 | 175.1 | -173.8 | 177.9 | -161.3 | 0 | 0 | 111.9 | A613 R615 E619 A620 A621 N659 | A613-E617 VanDerWaalsContact O-CB 3.28Å; A613-E617 WeakPolarHBondContact O-CB 3.46Å; A613-E617 PolarHBondContact O-N 3.22Å; R615-E617 VanDerWaalsContact C-N 3.32Å; R615-E617 PolarHBondContact O-N 3.35Å; E617-E619 VanDerWaalsContact C-N 3.31Å; E617-E619 PolarHBondContact O-N 3.36Å; E617-A620 PolarHBondContact O-N 2.85Å; E617-A621 VanDerWaalsContact O-CB 3.29Å; E617-A621 WeakPolarHBondContact O-CB 3.46Å; E617-A621 PolarHBondContact O-N 3.14Å; E617-N659 PolarHBondContact OE1-ND2 3.5Å; E617-N659 PolarHBondContact OE2-ND2 2.85Å |
| 618 | A | 66.1 | Low | 64.5 | Low | 49 Ų | 49 | 102 Ų | 102 | 41% | 0.405 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65.8 | -33.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | K614 R615 R622 | K614-A618 VanDerWaalsContact O-CB 3.27Å; K614-A618 WeakPolarHBondContact O-CB 3.35Å; K614-A618 PolarHBondContact O-N 3.31Å; R615-A618 PolarHBondContact O-N 3.29Å; A618-R622 WeakPolarHBondContact O-CB 3.49Å; A618-R622 VanDerWaalsContact O-CG 3.26Å; A618-R622 WeakPolarHBondContact O-CG 3.33Å; A618-R622 PolarHBondContact O-N 2.73Å |
| 619 | E | 66.3 | Low | 64.3 | Low | 139 Ų | 139 | 103.1 Ų | 103.1 | 65% | 0.65 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -73.5 | -42.6 | 176 | -171.4 | 166.3 | -165.7 | 0 | 0 | 111.4 | R615 A616 E617 R622 A623 | R615-E619 VanDerWaalsContact O-CB 3.24Å; R615-E619 WeakPolarHBondContact O-CB 3.4Å; R615-E619 PolarHBondContact O-N 3.17Å; A616-E619 PolarHBondContact O-N 3.48Å; E617-E619 VanDerWaalsContact C-N 3.31Å; E617-E619 PolarHBondContact O-N 3.36Å; E619-R622 PolarHBondContact O-N 2.84Å; E619-A623 WeakPolarHBondContact O-CB 3.33Å; E619-A623 PolarHBondContact O-N 3.19Å |
| 620 | A | 63.8 | Low | 64.2 | Low | 42 Ų | 42 | 106 Ų | 106 | 35% | 0.347 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61.4 | -43.6 | 172 | 0 | 0 | 0 | 0 | 0 | 111.5 | A616 E617 R622 A623 R624 | A616-A620 WeakPolarHBondContact O-CB 3.5Å; A616-A620 PolarHBondContact O-N 3.49Å; E617-A620 PolarHBondContact O-N 2.85Å; A620-R622 VanDerWaalsContact C-N 3.34Å; A620-R622 PolarHBondContact O-N 3.5Å; A620-A623 PolarHBondContact O-N 2.72Å; A620-R624 WeakPolarHBondContact O-CB 3.5Å; A620-R624 VanDerWaalsContact O-CG 3.29Å; A620-R624 WeakPolarHBondContact O-CG 3.5Å; A620-R624 PolarHBondContact O-N 3.09Å |
| 621 | A | 62.2 | Low | 64.4 | Low | 57 Ų | 57 | 102.1 Ų | 102.1 | 47% | 0.471 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.4 | -39.1 | 175 | 0 | 0 | 0 | 0 | 0 | 112.1 | E617 A625 | E617-A621 VanDerWaalsContact O-CB 3.29Å; E617-A621 WeakPolarHBondContact O-CB 3.46Å; E617-A621 PolarHBondContact O-N 3.14Å; A621-A625 WeakPolarHBondContact O-CB 3.44Å; A621-A625 PolarHBondContact O-N 3.38Å |
| 622 | R | 67.6 | Low | 63.9 | Low | 193 Ų | 193 | 101.2 Ų | 101.2 | 73% | 0.728 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -66.8 | -42.9 | 173.3 | -77.4 | 174.6 | -177.2 | -168.2 | 1.1 | 112.3 | A618 E619 A620 A625 E626 | A618-R622 WeakPolarHBondContact O-CB 3.49Å; A618-R622 VanDerWaalsContact O-CG 3.26Å; A618-R622 WeakPolarHBondContact O-CG 3.33Å; A618-R622 PolarHBondContact O-N 2.73Å; E619-R622 PolarHBondContact O-N 2.84Å; A620-R622 VanDerWaalsContact C-N 3.34Å; A620-R622 PolarHBondContact O-N 3.5Å; R622-A625 PolarHBondContact O-N 3.29Å; R622-E626 WeakPolarHBondContact O-CB 3.36Å; R622-E626 PolarHBondContact O-N 3.35Å |
| 623 | A | 65.2 | Low | 63.6 | Low | 58 Ų | 58 | 100.5 Ų | 100.5 | 48% | 0.479 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.5 | -43.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | E619 A620 E626 Q627 | E619-A623 WeakPolarHBondContact O-CB 3.33Å; E619-A623 PolarHBondContact O-N 3.19Å; A620-A623 PolarHBondContact O-N 2.72Å; A623-E626 PolarHBondContact O-N 2.93Å; A623-Q627 WeakPolarHBondContact O-CB 3.46Å; A623-Q627 PolarHBondContact O-N 2.93Å |
| 624 | R | 60.8 | Low | 63.1 | Low | 113 Ų | 113 | 100.3 Ų | 100.3 | 43% | 0.426 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.9 | -46.9 | 173.4 | -70.8 | 179.9 | -156.5 | -162.4 | 0.2 | 112.1 | A620 E626 Q627 E628 D653 | A620-R624 WeakPolarHBondContact O-CB 3.5Å; A620-R624 VanDerWaalsContact O-CG 3.29Å; A620-R624 WeakPolarHBondContact O-CG 3.5Å; A620-R624 PolarHBondContact O-N 3.09Å; R624-E626 VanDerWaalsContact C-N 3.31Å; R624-E626 PolarHBondContact O-N 3.45Å; R624-Q627 CarbonylContact O-C 3.6Å; R624-Q627 PolarHBondContact O-N 2.86Å; R624-Q627 VanDerWaalsContact O-N 3.16Å; R624-E628 PolarHBondContact O-N 3.23Å; R624-D653 IonicContact CZ-OD2 3.52Å; R624-D653 IonicContact NH1-OD2 2.58Å; R624-D653 PolarHBondContact NH1-OD2 3.15Å |
| 625 | A | 62.4 | Low | 62.5 | Low | 45 Ų | 45 | 102.1 Ų | 102.1 | 37% | 0.372 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.4 | -35.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | A621 R622 R629 | A621-A625 WeakPolarHBondContact O-CB 3.44Å; A621-A625 PolarHBondContact O-N 3.38Å; R622-A625 PolarHBondContact O-N 3.29Å; A625-R629 WeakPolarHBondContact O-CB 3.44Å; A625-R629 VanDerWaalsContact O-CG 3.28Å; A625-R629 WeakPolarHBondContact O-CG 2.94Å; A625-R629 PolarHBondContact O-N 2.93Å |
| 626 | E | 65.8 | Low | 61.4 | Low | 101 Ų | 101 | 96.7 Ų | 96.7 | 47% | 0.472 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -69.1 | -39.5 | 173.6 | -171.3 | 73.4 | -160.4 | 0 | 0 | 111.2 | R622 A623 R624 R629 R630 | R622-E626 WeakPolarHBondContact O-CB 3.36Å; R622-E626 PolarHBondContact O-N 3.35Å; A623-E626 PolarHBondContact O-N 2.93Å; R624-E626 VanDerWaalsContact C-N 3.31Å; R624-E626 PolarHBondContact O-N 3.45Å; E626-R629 PolarHBondContact O-N 3.18Å; E626-R630 WeakPolarHBondContact O-CG 3.47Å; E626-R630 PolarHBondContact O-N 2.99Å |
| 627 | Q | 62.7 | Low | 60.2 | Low | 100 Ų | 100 | 104.2 Ų | 104.2 | 47% | 0.467 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.7 | -48.5 | 175.5 | -179.2 | 164.3 | -13.8 | 0 | 0 | 111.9 | A623 R624 R629 R630 E631 | A623-Q627 WeakPolarHBondContact O-CB 3.46Å; A623-Q627 PolarHBondContact O-N 2.93Å; R624-Q627 CarbonylContact O-C 3.6Å; R624-Q627 PolarHBondContact O-N 2.86Å; R624-Q627 VanDerWaalsContact O-N 3.16Å; Q627-R629 VanDerWaalsContact C-N 3.27Å; Q627-R629 PolarHBondContact O-N 3.26Å; Q627-R630 CarbonylContact O-C 3.58Å; Q627-R630 WeakPolarHBondContact O-CA 3.47Å; Q627-R630 WeakPolarHBondContact O-CB 3.32Å; Q627-R630 PolarHBondContact O-N 3.45Å; Q627-E631 HydrophobicContact CG-CG 4.4Å; Q627-E631 WeakPolarHBondContact CG-OE1 3.42Å; Q627-E631 PolarHBondContact NE2-OE1 3.23Å; Q627-E631 WeakPolarHBondContact O-CG 3.48Å; Q627-E631 PolarHBondContact O-N 3.46Å |
| 628 | E | 61.5 | Low | 58.8 | Low | 83 Ų | 83 | 107.5 Ų | 107.5 | 39% | 0.388 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -55.5 | -42.8 | 172.5 | -81.4 | -173.8 | 156.8 | 0 | 0 | 111 | R624 R630 E631 Q632 | R624-E628 PolarHBondContact O-N 3.23Å; E628-R630 PolarHBondContact O-N 2.95Å; E628-E631 PolarHBondContact O-N 2.89Å; E628-Q632 WeakPolarHBondContact O-CB 3.5Å; E628-Q632 PolarHBondContact O-N 3.39Å |
| 629 | R | 64.2 | Low | 57.2 | Low | 178 Ų | 178 | 110.5 Ų | 110.5 | 67% | 0.672 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -62.8 | -40.1 | 174.5 | -82 | 178.3 | 175 | -162.8 | 0.3 | 112.5 | A625 E626 Q627 A633 | A625-R629 WeakPolarHBondContact O-CB 3.44Å; A625-R629 VanDerWaalsContact O-CG 3.28Å; A625-R629 WeakPolarHBondContact O-CG 2.94Å; A625-R629 PolarHBondContact O-N 2.93Å; E626-R629 PolarHBondContact O-N 3.18Å; Q627-R629 VanDerWaalsContact C-N 3.27Å; Q627-R629 PolarHBondContact O-N 3.26Å; R629-A633 WeakPolarHBondContact O-CB 3.23Å; R629-A633 PolarHBondContact O-N 3.19Å |
| 630 | R | 64.6 | Low | 55.9 | Low | 178 Ų | 178 | 109.4 Ų | 109.4 | 67% | 0.672 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -67.4 | -43.1 | 176.1 | -80.8 | 179.6 | 177.7 | -173.6 | -0.5 | 111.8 | E626 Q627 E628 A633 A634 | E626-R630 WeakPolarHBondContact O-CG 3.47Å; E626-R630 PolarHBondContact O-N 2.99Å; Q627-R630 CarbonylContact O-C 3.58Å; Q627-R630 WeakPolarHBondContact O-CA 3.47Å; Q627-R630 WeakPolarHBondContact O-CB 3.32Å; Q627-R630 PolarHBondContact O-N 3.45Å; E628-R630 PolarHBondContact O-N 2.95Å; R630-A633 CarbonylContact O-C 3.36Å; R630-A633 PolarHBondContact O-N 2.99Å; R630-A634 WeakPolarHBondContact O-CB 2.96Å; R630-A634 PolarHBondContact O-N 2.93Å |
| 631 | E | 63.3 | Low | 54.5 | Low | 78 Ų | 78 | 112.5 Ų | 112.5 | 36% | 0.364 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -65.9 | -42.3 | 176.8 | -72.4 | 177.2 | -166.7 | 0 | 0 | 111.2 | Q627 E628 A633 A634 R635 | Q627-E631 HydrophobicContact CG-CG 4.4Å; Q627-E631 WeakPolarHBondContact CG-OE1 3.42Å; Q627-E631 PolarHBondContact NE2-OE1 3.23Å; Q627-E631 WeakPolarHBondContact O-CG 3.48Å; Q627-E631 PolarHBondContact O-N 3.46Å; E628-E631 PolarHBondContact O-N 2.89Å; E631-A633 VanDerWaalsContact C-N 3.32Å; E631-A633 PolarHBondContact O-N 3.01Å; E631-A634 PolarHBondContact O-N 3.07Å; E631-R635 WeakPolarHBondContact O-CB 3.16Å; E631-R635 WeakPolarHBondContact O-CG 3.45Å; E631-R635 PolarHBondContact O-N 3.25Å |
| 632 | Q | 54.3 | Low | 52.8 | Low | 132 Ų | 132 | 118 Ų | 118 | 62% | 0.617 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -64 | -38.6 | 173.7 | -162.2 | 173.2 | 34.4 | 0 | 0 | 111.3 | E628 S636 | E628-Q632 WeakPolarHBondContact O-CB 3.5Å; E628-Q632 PolarHBondContact O-N 3.39Å; Q632-S636 WeakPolarHBondContact O-CB 3.45Å; Q632-S636 PolarHBondContact O-N 3.12Å |
| 633 | A | 59.3 | Low | 50.9 | Low | 41 Ų | 41 | 117.6 Ų | 117.6 | 34% | 0.339 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -67.4 | -37.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | R629 R630 E631 S636 R637 | R629-A633 WeakPolarHBondContact O-CB 3.23Å; R629-A633 PolarHBondContact O-N 3.19Å; R630-A633 CarbonylContact O-C 3.36Å; R630-A633 PolarHBondContact O-N 2.99Å; E631-A633 VanDerWaalsContact C-N 3.32Å; E631-A633 PolarHBondContact O-N 3.01Å; A633-S636 PolarHBondContact O-N 3.37Å; A633-S636 PolarHBondContact O-OG 3.43Å; A633-R637 WeakPolarHBondContact O-CG 3.46Å; A633-R637 PolarHBondContact O-N 3.36Å |
| 634 | A | 54.1 | Low | 49.2 | Very low | 55 Ų | 55 | 117.6 Ų | 117.6 | 46% | 0.455 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -67.6 | -47.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | R630 E631 S636 R637 | R630-A634 WeakPolarHBondContact O-CB 2.96Å; R630-A634 PolarHBondContact O-N 2.93Å; E631-A634 PolarHBondContact O-N 3.07Å; A634-S636 PolarHBondContact O-N 2.98Å; A634-R637 PolarHBondContact O-N 3.26Å |
| 635 | R | 52.4 | Low | 47.6 | Very low | 169 Ų | 169 | 119.5 Ų | 119.5 | 64% | 0.638 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -57.8 | -32.3 | 171.8 | -71.6 | -179.4 | -174.9 | -179 | 5.2 | 111.7 | E631 R637 | E631-R635 WeakPolarHBondContact O-CB 3.16Å; E631-R635 WeakPolarHBondContact O-CG 3.45Å; E631-R635 PolarHBondContact O-N 3.25Å; R635-R637 VanDerWaalsContact C-N 3.31Å; R635-R637 PolarHBondContact O-N 3.5Å |
| 636 | S | 46.2 | Very low | 46.1 | Very low | 77 Ų | 77 | 122.2 Ų | 122.2 | 54% | 0.538 | 63% | 0.627 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -73.7 | -16.4 | 177.2 | 81.6 | 0 | 0 | 0 | 0 | 115 | Q632 A633 A634 | Q632-S636 WeakPolarHBondContact O-CB 3.45Å; Q632-S636 PolarHBondContact O-N 3.12Å; A633-S636 PolarHBondContact O-N 3.37Å; A633-S636 PolarHBondContact O-OG 3.43Å; A634-S636 PolarHBondContact O-N 2.98Å |
| 637 | R | 40.1 | Very low | 44.4 | Very low | 215 Ų | 215 | 123.2 Ų | 123.2 | 81% | 0.811 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.6 | -14 | -176.5 | -75.2 | 179.1 | -179.1 | -174.2 | 1.2 | 114.3 | A633 A634 R635 | A633-R637 WeakPolarHBondContact O-CG 3.46Å; A633-R637 PolarHBondContact O-N 3.36Å; A634-R637 PolarHBondContact O-N 3.26Å; R635-R637 VanDerWaalsContact C-N 3.31Å; R635-R637 PolarHBondContact O-N 3.5Å |
| 638 | Q | 31.7 | Very low | 42.9 | Very low | 155 Ų | 155 | 124.3 Ų | 124.3 | 72% | 0.724 | 65% | 0.645 | S | S | * | * | S | Bend | trans | -76.9 | 136.1 | 176 | -74.8 | -178.4 | -14.1 | 0 | 0 | 111.4 | ||
| 639 | P | 33 | Very low | 41.6 | Very low | 112 Ų | 112 | 123.4 Ų | 123.4 | 73% | 0.727 | 65% | 0.647 | S | S | * | * | trans | -68.3 | 134.1 | 178.2 | 25.6 | -29.8 | 0 | 0 | 0 | 111.2 | S641 | P639-S641 PolarHBondContact O-N 2.9Š| ||
| 640 | A | 39.8 | Very low | 40.2 | Very low | 116 Ų | 116 | 118.7 Ų | 118.7 | 96% | 0.959 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.3 | 36.7 | -162.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||
| 641 | S | 33.3 | Very low | 38.9 | Very low | 107 Ų | 107 | 114.5 Ų | 114.5 | 75% | 0.748 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106 | -7.3 | 179.4 | 54.2 | 0 | 0 | 0 | 0 | 115.6 | P639 | P639-S641 PolarHBondContact O-N 2.9Š|
| 642 | E | 27.2 | Very low | 37.8 | Very low | 173 Ų | 173 | 112 Ų | 112 | 81% | 0.808 | 63% | 0.626 | S | S | * | * | S | Bend | trans | -129.9 | 129 | 176.9 | -69.1 | 178.8 | 168.9 | 0 | 0 | 109.9 | ||
| 643 | E | 26.9 | Very low | 37.2 | Very low | 184 Ų | 184 | 108.7 Ų | 108.7 | 86% | 0.86 | 61% | 0.612 | S | S | * | * | trans | 68.4 | 72.8 | 168.4 | -57.4 | -176.6 | 174.7 | 0 | 0 | 118 | N645 | E643-N645 VanDerWaalsContact C-N 3.29Å; E643-N645 PolarHBondContact O-N 2.82Å | ||
| 644 | A | 30.4 | Very low | 36.6 | Very low | 58 Ų | 58 | 112 Ų | 112 | 48% | 0.479 | 63% | 0.625 | S | S | . | * | trans | -92.1 | 58.4 | 152.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 645 | N | 27.3 | Very low | 37.1 | Very low | 152 Ų | 152 | 116.3 Ų | 116.3 | 81% | 0.813 | 64% | 0.64 | S | S | * | * | trans | -99.4 | 63.9 | 154.6 | -84.6 | -6.7 | 0 | 0 | 0 | 107.7 | E643 D647 | E643-N645 VanDerWaalsContact C-N 3.29Å; E643-N645 PolarHBondContact O-N 2.82Å; N645-D647 VanDerWaalsContact C-N 3.29Å | ||
| 646 | T | 29.1 | Very low | 38.5 | Very low | 102 Ų | 102 | 110.3 Ų | 110.3 | 63% | 0.626 | 62% | 0.62 | S | S | * | * | trans | -90.7 | 15.9 | 177 | 38.9 | 0 | 0 | 0 | 0 | 113.3 | N648 | T646-N648 VanDerWaalsContact C-N 3.25Å; T646-N648 PolarHBondContact O-N 2.7Å | ||
| 647 | D | 30.4 | Very low | 40.5 | Very low | 122 Ų | 122 | 109.4 Ų | 109.4 | 65% | 0.652 | 61% | 0.61 | S | S | * | * | trans | -82.1 | -1.2 | 178.4 | -71.3 | -32.1 | 0 | 0 | 0 | 113.6 | N645 P649 | N645-D647 VanDerWaalsContact C-N 3.29Å; D647-P649 WeakPolarHBondContact O-CD 3.47Å | ||
| 648 | N | 31.3 | Very low | 42.9 | Very low | 124 Ų | 124 | 100 Ų | 100 | 66% | 0.663 | 58% | 0.578 | S | S | * | * | S | Bend | trans | -101.5 | 84.6 | 162.8 | -75.3 | 10.3 | 0 | 0 | 0 | 109.6 | T646 S650 | T646-N648 VanDerWaalsContact C-N 3.25Å; T646-N648 PolarHBondContact O-N 2.7Å; N648-S650 PolarHBondContact O-N 3.37Å |
| 649 | P | 33.9 | Very low | 45.8 | Very low | 64 Ų | 64 | 96 Ų | 96 | 42% | 0.416 | 56% | 0.561 | S | S | . | * | trans | -58.5 | 124.7 | 161.7 | 24.6 | -28.2 | 0 | 0 | 0 | 106.9 | D647 I651 | D647-P649 WeakPolarHBondContact O-CD 3.47Å; P649-I651 HydrophobicContact CB-CG1 4.24Å; P649-I651 HydrophobicContact CG-CG1 4Å; P649-I651 PolarHBondContact O-N 2.97Å | ||
| 650 | S | 34.5 | Very low | 48.5 | Very low | 79 Ų | 79 | 96.5 Ų | 96.5 | 55% | 0.552 | 56% | 0.557 | S | S | * | * | trans | -56.5 | 89.3 | 150.8 | 53.5 | 0 | 0 | 0 | 0 | 105.3 | N648 G652 | N648-S650 PolarHBondContact O-N 3.37Å; S650-G652 PolarHBondContact O-N 3.36Å | ||
| 651 | I | 38.6 | Very low | 51.1 | Low | 90 Ų | 90 | 92.1 Ų | 92.1 | 46% | 0.462 | 52% | 0.517 | S | S | . | . | trans | -63.4 | 99.9 | 174.8 | -66.4 | 175.9 | 0 | 0 | 0 | 103.2 | P649 D653 | P649-I651 HydrophobicContact CB-CG1 4.24Å; P649-I651 HydrophobicContact CG-CG1 4Å; P649-I651 PolarHBondContact O-N 2.97Å; I651-D653 PolarHBondContact O-N 3.41Å | ||
| 652 | G | 40.1 | Very low | 54 | Low | 25 Ų | 25 | 87.3 Ų | 87.3 | 26% | 0.258 | 48% | 0.484 | S | S | . | . | trans | -53.6 | 143.1 | -169.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | S650 N654 | S650-G652 PolarHBondContact O-N 3.36Å; G652-N654 PolarHBondContact O-N 3.31Å | ||
| 653 | D | 41.4 | Very low | 57.1 | Low | 62 Ų | 62 | 84.4 Ų | 84.4 | 33% | 0.332 | 47% | 0.466 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -48.6 | 4.2 | 169.1 | -148.1 | 26.4 | 0 | 0 | 0 | 114.3 | K516 R624 I651 | K516-D653 WeakPolarHBondContact CE-OD1 3.35Å; K516-D653 IonicContact NZ-OD1 3.4Å; K516-D653 PolarHBondContact NZ-OD1 3.04Å; K516-D653 IonicContact NZ-OD2 3.21Å; K516-D653 PolarHBondContact NZ-OD2 2.89Å; R624-D653 IonicContact CZ-OD2 3.52Å; R624-D653 IonicContact NH1-OD2 2.58Å; R624-D653 PolarHBondContact NH1-OD2 3.15Å; I651-D653 PolarHBondContact O-N 3.41Å |
| 654 | N | 46.9 | Very low | 60.2 | Low | 111 Ų | 111 | 77.1 Ų | 77.1 | 59% | 0.594 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.3 | -18.2 | -174.7 | -70.8 | -28.6 | 0 | 0 | 0 | 114 | G652 | G652-N654 PolarHBondContact O-N 3.31Š|
| 655 | D | 63.7 | Low | 63.1 | Low | 145 Ų | 145 | 84.3 Ų | 84.3 | 78% | 0.775 | 46% | 0.458 | S | S | * | . | S | Bend | trans | -96.7 | -19.3 | -178.4 | -81.4 | -8.7 | 0 | 0 | 0 | 114.3 | ||
| 656 | L | 83.5 | Confident | 66.3 | Low | 43 Ų | 43 | 80.7 Ų | 80.7 | 23% | 0.225 | 44% | 0.439 | C | S | . | . | trans | -105 | 79.5 | -176.6 | -63.1 | 177.9 | 0 | 0 | 0 | 111.8 | K516 H519 E520 L661 | K516-L656 HydrophobicContact CG-CB 4.17Å; H519-L656 HydrophobicContact CB-CD1 3.86Å; H519-L656 HydrophobicContact CB-CD2 3.76Å; H519-L656 HydrophobicContact CB-CG 4.46Å; E520-L656 HydrophobicContact CG-CD1 4.03Å; L656-L661 HydrophobicContact CD2-CD1 4.49Å | ||
| 657 | D | 87.3 | Confident | 69.5 | Low | 59 Ų | 59 | 76.6 Ų | 76.6 | 32% | 0.316 | 41% | 0.414 | S | S | . | . | trans | -81.9 | 114.6 | 173.3 | -176.9 | -11.8 | 0 | 0 | 0 | 111 | N659 L660 L661 | D657-N659 PolarHBondContact O-N 3.15Å; D657-N659 WeakPolarHBondContact OD1-CA 3.41Å; D657-N659 VanDerWaalsContact OD1-CB 3.29Å; D657-N659 WeakPolarHBondContact OD1-CB 3.45Å; D657-N659 PolarHBondContact OD1-N 2.84Å; D657-L660 HydrophobicContact CB-CB 4.11Å; D657-L660 HydrophobicContact CB-CD1 3.89Å; D657-L660 HydrophobicContact CB-CG 3.89Å; D657-L660 PolarHBondContact O-N 2.71Å; D657-L661 WeakPolarHBondContact O-CG 3.38Å; D657-L661 PolarHBondContact O-N 2.58Å | ||
| 658 | A | 91.3 | Very high | 72.7 | Confident | 17 Ų | 17 | 71.1 Ų | 71.1 | 14% | 0.14 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -54.4 | -36 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113 | G512 D513 A662 | G512-A658 WeakPolarHBondContact CA-O 3.44Å; D513-A658 WeakPolarHBondContact OD1-CB 3.42Å; A658-A662 VanDerWaalsContact O-CB 3.32Å; A658-A662 WeakPolarHBondContact O-CB 3.42Å; A658-A662 PolarHBondContact O-N 3.33Å |
| 659 | N | 90.9 | Very high | 75.8 | Confident | 72 Ų | 72 | 69.1 Ų | 69.1 | 39% | 0.385 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -68.9 | -34.3 | 178.5 | -76.6 | -53.9 | 0 | 0 | 0 | 112.9 | E617 D657 R663 | E617-N659 PolarHBondContact OE1-ND2 3.5Å; E617-N659 PolarHBondContact OE2-ND2 2.85Å; D657-N659 PolarHBondContact O-N 3.15Å; D657-N659 WeakPolarHBondContact OD1-CA 3.41Å; D657-N659 VanDerWaalsContact OD1-CB 3.29Å; D657-N659 WeakPolarHBondContact OD1-CB 3.45Å; D657-N659 PolarHBondContact OD1-N 2.84Å; N659-R663 PolarHBondContact O-NH1 3.33Å; N659-R663 VanDerWaalsContact O-NH1 3.12Å |
| 660 | L | 91.6 | Very high | 78.8 | Confident | 121 Ų | 121 | 68.2 Ų | 68.2 | 63% | 0.634 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -75.6 | -43.3 | 175.3 | -65.7 | -179.7 | 0 | 0 | 0 | 110.8 | D657 A662 R663 | D657-L660 HydrophobicContact CB-CB 4.11Å; D657-L660 HydrophobicContact CB-CD1 3.89Å; D657-L660 HydrophobicContact CB-CG 3.89Å; D657-L660 PolarHBondContact O-N 2.71Å; L660-A662 PolarHBondContact O-N 2.99Å; L660-R663 CarbonylContact O-C 3.54Å; L660-R663 PolarHBondContact O-N 3.22Å |
| 661 | L | 93.4 | Very high | 81.8 | Confident | 24 Ų | 24 | 64.5 Ų | 64.5 | 13% | 0.126 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -61.5 | -32.5 | 177.4 | -69.2 | 173.7 | 0 | 0 | 0 | 112.5 | L515 K516 L656 D657 R663 P664 | L515-L661 HydrophobicContact CB-CB 4.07Å; L515-L661 HydrophobicContact CB-CD1 4.38Å; L515-L661 HydrophobicContact CD1-CB 4.34Å; L515-L661 VanDerWaalsContact CD1-O 3.23Å; L515-L661 WeakPolarHBondContact CD1-O 3.42Å; K516-L661 HydrophobicContact CB-CD1 4.11Å; L656-L661 HydrophobicContact CD2-CD1 4.49Å; D657-L661 WeakPolarHBondContact O-CG 3.38Å; D657-L661 PolarHBondContact O-N 2.58Å; L661-R663 PolarHBondContact O-N 3.16Å; L661-P664 WeakPolarHBondContact O-CD 3.36Å |
| 662 | A | 93.4 | Very high | 84.5 | Confident | 7 Ų | 7 | 60.4 Ų | 60.4 | 6% | 0.058 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | -11.3 | 175 | 0 | 0 | 0 | 0 | 0 | 114.2 | L583 A658 L660 P664 | L583-A662 HydrophobicContact CD1-CB 3.69Å; A658-A662 VanDerWaalsContact O-CB 3.32Å; A658-A662 WeakPolarHBondContact O-CB 3.42Å; A658-A662 PolarHBondContact O-N 3.33Å; L660-A662 PolarHBondContact O-N 2.99Å; A662-P664 VanDerWaalsContact C-CD 3.49Å |
| 663 | R | 94 | Very high | 87.1 | Confident | 112 Ų | 112 | 63.7 Ų | 63.7 | 42% | 0.423 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -133.2 | 58.8 | -179.3 | -61.5 | -178 | -175.3 | 79.9 | 5 | 111 | D584 N659 L660 L661 | D584-R663 IonicContact OD1-CZ 2.76Å; D584-R663 IonicContact OD1-NE 3.66Å; D584-R663 PolarHBondContact OD1-NE 2.96Å; D584-R663 IonicContact OD1-NH2 3.07Å; D584-R663 WeakPolarHBondContact OD2-CD 3.45Å; D584-R663 IonicContact OD2-NE 3.76Å; N659-R663 PolarHBondContact O-NH1 3.33Å; N659-R663 VanDerWaalsContact O-NH1 3.12Å; L660-R663 CarbonylContact O-C 3.54Å; L660-R663 PolarHBondContact O-N 3.22Å; L661-R663 PolarHBondContact O-N 3.16Å |
| 664 | P | 91.6 | Very high | 89.8 | Confident | 30 Ų | 30 | 60.7 Ų | 60.7 | 20% | 0.195 | 31% | 0.306 | C | S | . | . | trans | -69.1 | 144.6 | 179.8 | 32 | -34.8 | 0 | 0 | 0 | 110.4 | Y575 L661 A662 P667 E670 | Y575-P664 HydrophobicContact CD1-CG 4.03Å; Y575-P664 HydrophobicContact CE1-CB 4.29Å; Y575-P664 HydrophobicContact CE1-CG 3.93Å; L661-P664 WeakPolarHBondContact O-CD 3.36Å; A662-P664 VanDerWaalsContact C-CD 3.49Å; P664-P667 HydrophobicContact CG-CB 3.75Å; P664-P667 HydrophobicContact CG-CG 3.8Å; P664-E670 HydrophobicContact CB-CG 4.1Å | ||
| 665 | E | 90.7 | Very high | 92 | Very high | 209 Ų | 209 | 55.4 Ų | 55.4 | 98% | 0.977 | 28% | 0.278 | S | S | * | . | S | Bend | trans | -64.6 | -40.9 | 175.3 | -65.3 | -175.2 | 168.2 | 0 | 0 | 111.7 | ||
| 666 | D | 94.9 | Very high | 93.5 | Very high | 77 Ų | 77 | 52.2 Ų | 52.2 | 41% | 0.412 | 26% | 0.26 | S | S | . | . | trans | -130 | 89.7 | 173.7 | -172.3 | -17.1 | 0 | 0 | 0 | 110.3 | L668 E669 E670 | D666-L668 PolarHBondContact O-N 2.94Å; D666-L668 PolarHBondContact OD1-N 3.15Å; D666-E669 HydrophobicContact CB-CB 3.93Å; D666-E669 VanDerWaalsContact CG-CB 3.5Å; D666-E669 PolarHBondContact O-N 2.95Å; D666-E669 PolarHBondContact OD1-N 3.46Å; D666-E670 PolarHBondContact O-N 2.8Å; D666-E670 VanDerWaalsContact O-N 3.16Å | ||
| 667 | P | 95.9 | Very high | 93.9 | Very high | 16 Ų | 16 | 50.9 Ų | 50.9 | 10% | 0.104 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -59 | -32.2 | 178.4 | -8.3 | 11.4 | 0 | 0 | 0 | 113 | Y575 Y579 P664 E670 A671 | Y575-P667 WeakPolarHBondContact CB-O 3.33Å; Y575-P667 HydrophobicContact CD1-CB 4.18Å; Y575-P667 WeakPolarHBondContact O-CB 3.33Å; Y579-P667 HydrophobicContact CD2-CG 4.47Å; P664-P667 HydrophobicContact CG-CB 3.75Å; P664-P667 HydrophobicContact CG-CG 3.8Å; P667-E670 PolarHBondContact O-N 3.41Å; P667-A671 WeakPolarHBondContact O-CB 3.45Å; P667-A671 PolarHBondContact O-N 3.07Å |
| 668 | L | 97.1 | Very high | 94 | Very high | 7 Ų | 7 | 48.1 Ų | 48.1 | 4% | 0.037 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -75.5 | -29.2 | -177.4 | -59.2 | 179.2 | 0 | 0 | 0 | 111.5 | L576 Y579 D666 S672 R698 K699 | L576-L668 HydrophobicContact CD2-CD2 4.04Å; Y579-L668 HydrophobicContact CD1-CD2 4.21Å; Y579-L668 HydrophobicContact CD2-CD1 3.71Å; Y579-L668 HydrophobicContact CD2-CD2 4.01Å; Y579-L668 HydrophobicContact CD2-CG 3.56Å; Y579-L668 HydrophobicContact CE1-CD1 4.31Å; Y579-L668 HydrophobicContact CE2-CD1 3.48Å; Y579-L668 VanDerWaalsContact CE2-CD1 3.48Å; Y579-L668 HydrophobicContact CE2-CG 3.9Å; Y579-L668 HydrophobicContact CG-CD1 4.21Å; Y579-L668 HydrophobicContact CG-CD2 3.8Å; Y579-L668 HydrophobicContact CG-CG 3.9Å; D666-L668 PolarHBondContact O-N 2.94Å; D666-L668 PolarHBondContact OD1-N 3.15Å; L668-S672 PolarHBondContact O-N 3.37Å; L668-S672 VanDerWaalsContact O-N 3.11Å; L668-S672 PolarHBondContact O-OG 3.48Å; L668-R698 HydrophobicContact CD1-CB 3.8Å; L668-R698 HydrophobicContact CD2-CB 4Å; L668-K699 HydrophobicContact CB-CD 4.27Å; L668-K699 HydrophobicContact CB-CG 3.92Å; L668-K699 HydrophobicContact CD1-CG 3.66Å; L668-K699 HydrophobicContact CG-CG 4.42Å; L668-K699 WeakPolarHBondContact O-CE 3.45Å; L668-K699 PolarHBondContact O-NZ 3.42Å |
| 669 | E | 97 | Very high | 94 | Very high | 81 Ų | 81 | 47.4 Ų | 47.4 | 38% | 0.379 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -70.4 | -43.2 | 170.1 | -165.7 | 59.1 | -158.1 | 0 | 0 | 112 | D666 A671 S672 K673 K699 | D666-E669 HydrophobicContact CB-CB 3.93Å; D666-E669 VanDerWaalsContact CG-CB 3.5Å; D666-E669 PolarHBondContact O-N 2.95Å; D666-E669 PolarHBondContact OD1-N 3.46Å; E669-A671 VanDerWaalsContact C-N 3.34Å; E669-A671 PolarHBondContact O-N 3.37Å; E669-S672 WeakPolarHBondContact O-CA 3.39Å; E669-S672 WeakPolarHBondContact O-CB 3.22Å; E669-S672 PolarHBondContact O-N 2.94Å; E669-K673 PolarHBondContact O-N 2.71Å; E669-K673 VanDerWaalsContact O-N 3.16Å; E669-K699 IonicContact OE2-NZ 3.41Å; E669-K699 PolarHBondContact OE2-NZ 2.97Å |
| 670 | E | 96.6 | Very high | 93.9 | Very high | 46 Ų | 46 | 49.7 Ų | 49.7 | 22% | 0.215 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -60.3 | -43.1 | 173 | -62.9 | -51.3 | 137.5 | 0 | 0 | 111.9 | Y575 P664 D666 P667 S672 K673 | Y575-E670 HydrophobicContact CD1-CB 4.09Å; Y575-E670 HydrophobicContact CD2-CB 4.02Å; Y575-E670 HydrophobicContact CE1-CB 3.74Å; Y575-E670 HydrophobicContact CE1-CG 4.25Å; Y575-E670 HydrophobicContact CE2-CB 3.65Å; Y575-E670 HydrophobicContact CG-CB 4.23Å; P664-E670 HydrophobicContact CB-CG 4.1Å; D666-E670 PolarHBondContact O-N 2.8Å; D666-E670 VanDerWaalsContact O-N 3.16Å; P667-E670 PolarHBondContact O-N 3.41Å; E670-S672 VanDerWaalsContact C-N 3.25Å; E670-S672 PolarHBondContact O-N 3.42Å; E670-K673 WeakPolarHBondContact O-CB 3.32Å; E670-K673 PolarHBondContact O-N 3.5Å; E670-K673 VanDerWaalsContact O-N 3.15Å; E670-K673 IonicContact OE1-NZ 2.7Å; E670-K673 PolarHBondContact OE1-NZ 2.99Å; E670-K673 WeakPolarHBondContact OE2-CD 3.46Å; E670-K673 WeakPolarHBondContact OE2-CE 3.3Å; E670-K673 IonicContact OE2-NZ 2.78Å; E670-K673 PolarHBondContact OE2-NZ 2.74Å |
| 671 | A | 97.2 | Very high | 93.6 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -57.6 | -38.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | V572 Y575 P667 E669 K673 F674 L675 V695 | V572-A671 HydrophobicContact CG1-CB 4.43Å; V572-A671 HydrophobicContact CG2-CB 4.24Å; V572-A671 WeakPolarHBondContact CG2-O 3.47Å; Y575-A671 HydrophobicContact CD2-CB 4.36Å; Y575-A671 HydrophobicContact CG-CB 4.48Å; P667-A671 WeakPolarHBondContact O-CB 3.45Å; P667-A671 PolarHBondContact O-N 3.07Å; E669-A671 VanDerWaalsContact C-N 3.34Å; E669-A671 PolarHBondContact O-N 3.37Å; A671-K673 VanDerWaalsContact C-N 3.3Å; A671-K673 PolarHBondContact O-N 3.23Å; A671-F674 PolarHBondContact O-N 3.38Å; A671-L675 WeakPolarHBondContact O-CB 3.45Å; A671-L675 PolarHBondContact O-N 2.65Å; A671-L675 VanDerWaalsContact O-N 3.07Å; A671-V695 HydrophobicContact CB-CG2 4.04Å |
| 672 | S | 96.5 | Very high | 93 | Very high | 5 Ų | 5 | 45.1 Ų | 45.1 | 4% | 0.035 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -65.8 | -32.4 | 179.4 | -60.4 | 0 | 0 | 0 | 0 | 112.4 | L668 E669 E670 F674 L675 L676 K699 | L668-S672 PolarHBondContact O-N 3.37Å; L668-S672 VanDerWaalsContact O-N 3.11Å; L668-S672 PolarHBondContact O-OG 3.48Å; E669-S672 WeakPolarHBondContact O-CA 3.39Å; E669-S672 WeakPolarHBondContact O-CB 3.22Å; E669-S672 PolarHBondContact O-N 2.94Å; E670-S672 VanDerWaalsContact C-N 3.25Å; E670-S672 PolarHBondContact O-N 3.42Å; S672-F674 VanDerWaalsContact C-N 3.32Å; S672-F674 PolarHBondContact O-N 2.97Å; S672-L675 PolarHBondContact O-N 2.83Å; S672-L676 VanDerWaalsContact O-CG 3.31Å; S672-L676 WeakPolarHBondContact O-CG 3.46Å; S672-L676 PolarHBondContact O-N 3.1Å; S672-K699 PolarHBondContact OG-NZ 2.93Å |
| 673 | K | 95.2 | Very high | 92.3 | Very high | 93 Ų | 93 | 47.9 Ų | 47.9 | 40% | 0.404 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -65 | -33.6 | 177.8 | -64.3 | 177.6 | -166.8 | 165.4 | 0 | 113 | E669 E670 A671 P677 | E669-K673 PolarHBondContact O-N 2.71Å; E669-K673 VanDerWaalsContact O-N 3.16Å; E670-K673 WeakPolarHBondContact O-CB 3.32Å; E670-K673 PolarHBondContact O-N 3.5Å; E670-K673 VanDerWaalsContact O-N 3.15Å; E670-K673 IonicContact OE1-NZ 2.7Å; E670-K673 PolarHBondContact OE1-NZ 2.99Å; E670-K673 WeakPolarHBondContact OE2-CD 3.46Å; E670-K673 WeakPolarHBondContact OE2-CE 3.3Å; E670-K673 IonicContact OE2-NZ 2.78Å; E670-K673 PolarHBondContact OE2-NZ 2.74Å; A671-K673 VanDerWaalsContact C-N 3.3Å; A671-K673 PolarHBondContact O-N 3.23Å; K673-P677 WeakPolarHBondContact O-CD 3.37Å |
| 674 | F | 96.3 | Very high | 91.9 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -77.6 | -35.7 | 172.5 | -77.9 | -89.1 | 0 | 0 | 0 | 112.2 | C518 H519 Q522 Y564 T567 A568 A571 V572 Y575 A671 S672 | C518-F674 HydrophobicContact CB-CE1 4.33Å; C518-F674 HydrophobicContact CB-CZ 4.3Å; H519-F674 AromaticContact CD2-CZ 3.99Å; H519-F674 AromaticContact CE1-CE2 3.59Å; H519-F674 AromaticContact CE1-CZ 3.84Å; H519-F674 AromaticContact ND1-CZ 3.95Å; H519-F674 AromaticContact NE2-CE2 3.6Å; H519-F674 AromaticContact NE2-CZ 3.86Å; Q522-F674 HydrophobicContact CB-CE1 4Å; Q522-F674 HydrophobicContact CB-CZ 4.42Å; Q522-F674 HydrophobicContact CG-CE1 4.42Å; Q522-F674 VanDerWaalsContact OE1-CE1 3.26Å; Y564-F674 PolarHBondContact OH-O 3.26Å; T567-F674 HydrophobicContact CG2-CE1 4.34Å; A568-F674 HydrophobicContact CB-CB 4Å; A568-F674 HydrophobicContact CB-CD1 4.23Å; A571-F674 HydrophobicContact CB-CD1 3.85Å; A571-F674 HydrophobicContact CB-CD2 3.87Å; A571-F674 HydrophobicContact CB-CE1 3.86Å; A571-F674 HydrophobicContact CB-CE2 3.9Å; A571-F674 HydrophobicContact CB-CG 3.85Å; A571-F674 HydrophobicContact CB-CZ 3.89Å; V572-F674 HydrophobicContact CG2-CB 4.16Å; Y575-F674 HydrophobicContact CE2-CD2 4.22Å; Y575-F674 HydrophobicContact CE2-CE2 4Å; A671-F674 PolarHBondContact O-N 3.38Å; S672-F674 VanDerWaalsContact C-N 3.32Å; S672-F674 PolarHBondContact O-N 2.97Å |
| 675 | L | 94.9 | Very high | 91.7 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -73.4 | -40.8 | -175.5 | 179.7 | 68.3 | 0 | 0 | 0 | 113.4 | V572 A671 S672 L678 L679 L691 A692 V695 Y696 | V572-L675 HydrophobicContact CG2-CB 4.42Å; A671-L675 WeakPolarHBondContact O-CB 3.45Å; A671-L675 PolarHBondContact O-N 2.65Å; A671-L675 VanDerWaalsContact O-N 3.07Å; S672-L675 PolarHBondContact O-N 2.83Å; L675-L678 WeakPolarHBondContact O-CB 3.35Å; L675-L678 PolarHBondContact O-N 2.96Å; L675-L678 VanDerWaalsContact O-N 3.1Å; L675-L679 HydrophobicContact CD1-CD1 4.15Å; L675-L679 HydrophobicContact CD1-CD2 4.35Å; L675-L679 HydrophobicContact CD1-CG 4.09Å; L675-L679 HydrophobicContact CD2-CD1 3.92Å; L675-L679 HydrophobicContact CG-CD1 3.63Å; L675-L679 HydrophobicContact CG-CG 4.01Å; L675-L679 WeakPolarHBondContact O-CG 3.46Å; L675-L679 PolarHBondContact O-N 3.4Å; L675-L679 VanDerWaalsContact O-N 3.16Å; L675-L691 HydrophobicContact CD1-CB 4.06Å; L675-A692 HydrophobicContact CD1-CB 4.13Å; L675-A692 HydrophobicContact CD2-CB 3.8Å; L675-A692 HydrophobicContact CG-CB 4.41Å; L675-V695 HydrophobicContact CD2-CB 4.34Å; L675-V695 HydrophobicContact CD2-CG2 4.32Å; L675-Y696 HydrophobicContact CD2-CE2 4.17Å |
| 676 | L | 93.8 | Very high | 91.8 | Very high | 77 Ų | 77 | 42 Ų | 42 | 40% | 0.403 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -55.8 | -47.4 | -172.8 | -76.9 | 170.9 | 0 | 0 | 0 | 113.3 | S672 L678 L679 D680 | S672-L676 VanDerWaalsContact O-CG 3.31Å; S672-L676 WeakPolarHBondContact O-CG 3.46Å; S672-L676 PolarHBondContact O-N 3.1Å; L676-L678 VanDerWaalsContact C-N 3.27Å; L676-L678 PolarHBondContact O-N 2.99Å; L676-L679 PolarHBondContact O-N 3.34Å; L676-L679 VanDerWaalsContact O-N 3.1Å; L676-D680 PolarHBondContact O-N 3.46Å; L676-D680 VanDerWaalsContact O-N 3.12Å |
| 677 | P | 92 | Very high | 91.7 | Very high | 16 Ų | 16 | 41.5 Ų | 41.5 | 10% | 0.104 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -63 | -31.5 | 178.8 | -23.9 | 36.5 | 0 | 0 | 0 | 113.9 | R559 Y564 K673 L681 | R559-P677 HydrophobicContact CB-CB 4.37Å; R559-P677 VanDerWaalsContact CD-CB 3.45Å; Y564-P677 HydrophobicContact CE1-CB 3.89Å; Y564-P677 WeakPolarHBondContact OH-CG 3.49Å; K673-P677 WeakPolarHBondContact O-CD 3.37Å; P677-L681 WeakPolarHBondContact O-CB 3.43Å; P677-L681 PolarHBondContact O-N 2.93Å; P677-L681 VanDerWaalsContact O-N 3.13Å |
| 678 | L | 90.5 | Very high | 91.6 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -65.8 | -41.3 | 173.8 | -65.6 | -178.4 | 0 | 0 | 0 | 111.8 | Y564 F565 A568 L675 L676 D680 L681 S682 A688 | Y564-L678 HydrophobicContact CD1-CD2 3.49Å; Y564-L678 VanDerWaalsContact CD1-CD2 3.49Å; Y564-L678 HydrophobicContact CD1-CG 4.25Å; Y564-L678 HydrophobicContact CE1-CD2 3.78Å; Y564-L678 HydrophobicContact CE1-CG 4.03Å; F565-L678 HydrophobicContact CB-CD2 4.1Å; F565-L678 HydrophobicContact CD2-CD1 3.91Å; F565-L678 HydrophobicContact CD2-CD2 4.17Å; F565-L678 HydrophobicContact CE2-CD1 4.42Å; A568-L678 HydrophobicContact CB-CD1 3.59Å; A568-L678 HydrophobicContact CB-CG 4.07Å; L675-L678 WeakPolarHBondContact O-CB 3.35Å; L675-L678 PolarHBondContact O-N 2.96Å; L675-L678 VanDerWaalsContact O-N 3.1Å; L676-L678 VanDerWaalsContact C-N 3.27Å; L676-L678 PolarHBondContact O-N 2.99Å; L678-D680 VanDerWaalsContact C-N 3.29Å; L678-D680 PolarHBondContact O-N 3.21Å; L678-L681 PolarHBondContact O-N 3.47Å; L678-S682 WeakPolarHBondContact O-CA 3.14Å; L678-S682 WeakPolarHBondContact O-CB 3.29Å; L678-S682 PolarHBondContact O-N 3.47Å; L678-A688 HydrophobicContact CB-CB 4.44Å |
| 679 | L | 91.3 | Very high | 91.5 | Very high | 2 Ų | 2 | 40.9 Ų | 40.9 | 1% | 0.01 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -70.7 | -27.8 | -178 | -64.4 | 175.9 | 0 | 0 | 0 | 113.2 | L675 L676 Y689 A692 W708 | L675-L679 HydrophobicContact CD1-CD1 4.15Å; L675-L679 HydrophobicContact CD1-CD2 4.35Å; L675-L679 HydrophobicContact CD1-CG 4.09Å; L675-L679 HydrophobicContact CD2-CD1 3.92Å; L675-L679 HydrophobicContact CG-CD1 3.63Å; L675-L679 HydrophobicContact CG-CG 4.01Å; L675-L679 WeakPolarHBondContact O-CG 3.46Å; L675-L679 PolarHBondContact O-N 3.4Å; L675-L679 VanDerWaalsContact O-N 3.16Å; L676-L679 PolarHBondContact O-N 3.34Å; L676-L679 VanDerWaalsContact O-N 3.1Å; L679-Y689 HydrophobicContact CD2-CD1 3.73Å; L679-Y689 HydrophobicContact CD2-CE1 4Å; L679-A692 HydrophobicContact CD1-CB 3.99Å; L679-A692 HydrophobicContact CD2-CB 3.97Å; L679-W708 HydrophobicContact CB-CH2 3.81Å; L679-W708 HydrophobicContact CB-CZ2 4.43Å; L679-W708 HydrophobicContact CB-CZ3 4.05Å; L679-W708 HydrophobicContact CD1-CD2 4.36Å; L679-W708 HydrophobicContact CD1-CH2 3.79Å; L679-W708 HydrophobicContact CD1-CZ2 3.56Å; L679-W708 HydrophobicContact CD1-CZ3 4.29Å; L679-W708 HydrophobicContact CD2-CD2 4.32Å; L679-W708 HydrophobicContact CD2-CE3 4.03Å; L679-W708 HydrophobicContact CD2-CH2 4.34Å; L679-W708 HydrophobicContact CD2-CZ3 4.01Å; L679-W708 HydrophobicContact CG-CH2 4.21Å; L679-W708 HydrophobicContact CG-CZ2 4.44Å; L679-W708 HydrophobicContact CG-CZ3 4.35Å |
| 680 | D | 87.8 | Confident | 91.4 | Very high | 121 Ų | 121 | 37 Ų | 37 | 65% | 0.647 | 18% | 0.184 | S | C | * | . | H | α-helix | trans | -81.2 | -34.6 | 177 | -67.9 | -24.2 | 0 | 0 | 0 | 112.2 | L676 L678 | L676-D680 PolarHBondContact O-N 3.46Å; L676-D680 VanDerWaalsContact O-N 3.12Å; L678-D680 VanDerWaalsContact C-N 3.29Å; L678-D680 PolarHBondContact O-N 3.21Å |
| 681 | L | 85.1 | Confident | 91.4 | Very high | 48 Ų | 48 | 34.9 Ų | 34.9 | 25% | 0.251 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -111.2 | -24.4 | -168.4 | -63.3 | 172.7 | 0 | 0 | 0 | 115.4 | D556 R559 D560 P677 L678 P683 | D556-L681 WeakPolarHBondContact O-CD2 3.09Å; R559-L681 HydrophobicContact CB-CD1 3.76Å; D560-L681 HydrophobicContact CB-CB 4.49Å; P677-L681 WeakPolarHBondContact O-CB 3.43Å; P677-L681 PolarHBondContact O-N 2.93Å; P677-L681 VanDerWaalsContact O-N 3.13Å; L678-L681 PolarHBondContact O-N 3.47Å; L681-P683 WeakPolarHBondContact O-CD 3.42Å |
| 682 | S | 81.6 | Confident | 91.3 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 18% | 0.175 | C | C | . | . | trans | -115.6 | 62.6 | -174.9 | -58.7 | 0 | 0 | 0 | 0 | 112.4 | D560 L678 K684 I685 | D560-S682 WeakPolarHBondContact OD1-CA 3.32Å; D560-S682 WeakPolarHBondContact OD1-CB 3.33Å; D560-S682 PolarHBondContact OD1-OG 3.03Å; L678-S682 WeakPolarHBondContact O-CA 3.14Å; L678-S682 WeakPolarHBondContact O-CB 3.29Å; L678-S682 PolarHBondContact O-N 3.47Å; S682-K684 PolarHBondContact O-N 2.87Å; S682-K684 VanDerWaalsContact O-N 3.08Å; S682-I685 PolarHBondContact O-N 3.47Å | ||
| 683 | P | 79 | Confident | 91.3 | Very high | 65 Ų | 65 | 34.8 Ų | 34.8 | 42% | 0.422 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -9.4 | -174.7 | 30.6 | -37 | 0 | 0 | 0 | 114.1 | L681 Y689 L715 | L681-P683 WeakPolarHBondContact O-CD 3.42Å; P683-Y689 VanDerWaalsContact CA-OH 3.28Å; P683-Y689 WeakPolarHBondContact CA-OH 3.34Å; P683-Y689 PolarHBondContact O-OH 2.77Å; P683-L715 WeakPolarHBondContact O-CD2 3.42Å |
| 684 | K | 84 | Confident | 91.3 | Very high | 178 Ų | 178 | 31.2 Ų | 31.2 | 77% | 0.774 | 16% | 0.158 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.5 | -10.7 | -177.4 | -62.8 | -176.3 | -179.7 | -177.8 | 0 | 113.7 | S682 | S682-K684 PolarHBondContact O-N 2.87Å; S682-K684 VanDerWaalsContact O-N 3.08Å |
| 685 | I | 88.6 | Confident | 91.4 | Very high | 35 Ų | 35 | 31.2 Ų | 31.2 | 18% | 0.179 | 16% | 0.158 | C | C | . | . | trans | -92.9 | 109.4 | -175.8 | -54.8 | -178.7 | 0 | 0 | 0 | 108.8 | F565 S682 E687 A688 | F565-I685 HydrophobicContact CD2-CD1 3.98Å; F565-I685 HydrophobicContact CD2-CG2 4.05Å; F565-I685 HydrophobicContact CE2-CG2 3.55Å; F565-I685 HydrophobicContact CG-CD1 4.26Å; F565-I685 HydrophobicContact CZ-CG2 3.9Å; S682-I685 PolarHBondContact O-N 3.47Å; I685-E687 VanDerWaalsContact C-N 3.27Å; I685-E687 HydrophobicContact CG2-CB 4.05Å; I685-E687 VanDerWaalsContact CG2-OE2 3.25Å; I685-E687 WeakPolarHBondContact CG2-OE2 3.48Å; I685-E687 PolarHBondContact O-N 3.5Å; I685-A688 HydrophobicContact CB-CB 4.35Å; I685-A688 HydrophobicContact CG2-CB 4.42Å; I685-A688 WeakPolarHBondContact O-CB 3.27Å; I685-A688 PolarHBondContact O-N 3.3Å | ||
| 686 | I | 92.6 | Very high | 91.5 | Very high | 15 Ų | 15 | 31.9 Ų | 31.9 | 8% | 0.077 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -66.9 | -32.8 | -177 | -171.2 | 67.7 | 0 | 0 | 0 | 111.4 | A688 Y689 C690 L715 N721 F724 | I686-A688 VanDerWaalsContact C-N 3.26Å; I686-A688 PolarHBondContact O-N 3.37Å; I686-Y689 HydrophobicContact CD1-CD2 4.23Å; I686-Y689 WeakPolarHBondContact O-CA 3.46Å; I686-Y689 WeakPolarHBondContact O-CB 3.38Å; I686-Y689 PolarHBondContact O-N 2.95Å; I686-C690 PolarHBondContact O-N 3.28Å; I686-C690 VanDerWaalsContact O-N 3.08Å; I686-C690 PolarHBondContact O-SG 2.91Å; I686-L715 HydrophobicContact CB-CD1 4.34Å; I686-L715 HydrophobicContact CD1-CD1 4.14Å; I686-N721 HydrophobicContact CG1-CB 4.44Å; I686-N721 WeakPolarHBondContact CG2-ND2 3.26Å; I686-F724 HydrophobicContact CD1-CB 4.3Å; I686-F724 HydrophobicContact CD1-CD1 4.24Å; I686-F724 HydrophobicContact CD1-CD2 3.63Å; I686-F724 HydrophobicContact CD1-CE2 3.95Å; I686-F724 HydrophobicContact CD1-CG 3.79Å; I686-F724 HydrophobicContact CD1-CZ 4.38Å; I686-F724 HydrophobicContact CG1-CB 3.95Å; I686-F724 HydrophobicContact CG1-CD2 4.07Å; I686-F724 HydrophobicContact CG1-CG 4.01Å |
| 687 | E | 93.1 | Very high | 91.5 | Very high | 67 Ų | 67 | 29.1 Ų | 29.1 | 31% | 0.313 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -61.8 | -32.9 | 178.3 | -64.8 | 73.9 | -162 | 0 | 0 | 111.9 | F565 I685 Y689 C690 L691 W723 | F565-E687 HydrophobicContact CE2-CB 4.2Å; F565-E687 HydrophobicContact CZ-CB 3.65Å; I685-E687 VanDerWaalsContact C-N 3.27Å; I685-E687 HydrophobicContact CG2-CB 4.05Å; I685-E687 VanDerWaalsContact CG2-OE2 3.25Å; I685-E687 WeakPolarHBondContact CG2-OE2 3.48Å; I685-E687 PolarHBondContact O-N 3.5Å; E687-Y689 VanDerWaalsContact C-N 3.27Å; E687-Y689 PolarHBondContact O-N 3.47Å; E687-C690 PolarHBondContact O-N 3.41Å; E687-L691 WeakPolarHBondContact O-CG 3.45Å; E687-L691 PolarHBondContact O-N 3.26Å; E687-W723 HydrophobicContact CB-CE3 4.46Å; E687-W723 HydrophobicContact CB-CZ3 3.96Å; E687-W723 HydrophobicContact CG-CE3 4.28Å; E687-W723 HydrophobicContact CG-CZ3 4.15Å |
| 688 | A | 93.5 | Very high | 91.7 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -63.2 | -35.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | F565 L678 I685 I686 A692 | F565-A688 HydrophobicContact CE2-CB 4.27Å; L678-A688 HydrophobicContact CB-CB 4.44Å; I685-A688 HydrophobicContact CB-CB 4.35Å; I685-A688 HydrophobicContact CG2-CB 4.42Å; I685-A688 WeakPolarHBondContact O-CB 3.27Å; I685-A688 PolarHBondContact O-N 3.3Å; I686-A688 VanDerWaalsContact C-N 3.26Å; I686-A688 PolarHBondContact O-N 3.37Å; A688-A692 WeakPolarHBondContact O-CB 3.34Å; A688-A692 PolarHBondContact O-N 3.24Å |
| 689 | Y | 94.7 | Very high | 91.9 | Very high | 9 Ų | 9 | 32.1 Ų | 32.1 | 4% | 0.035 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -74.5 | -34.4 | 175.2 | -57.3 | -30.5 | 0 | 0 | 0 | 112.4 | L679 P683 I686 E687 A692 F693 W708 R711 L715 | L679-Y689 HydrophobicContact CD2-CD1 3.73Å; L679-Y689 HydrophobicContact CD2-CE1 4Å; P683-Y689 VanDerWaalsContact CA-OH 3.28Å; P683-Y689 WeakPolarHBondContact CA-OH 3.34Å; P683-Y689 PolarHBondContact O-OH 2.77Å; I686-Y689 HydrophobicContact CD1-CD2 4.23Å; I686-Y689 WeakPolarHBondContact O-CA 3.46Å; I686-Y689 WeakPolarHBondContact O-CB 3.38Å; I686-Y689 PolarHBondContact O-N 2.95Å; E687-Y689 VanDerWaalsContact C-N 3.27Å; E687-Y689 PolarHBondContact O-N 3.47Å; Y689-A692 PolarHBondContact O-N 3.07Å; Y689-F693 WeakPolarHBondContact O-CB 3.49Å; Y689-F693 PolarHBondContact O-N 3.14Å; Y689-W708 AromaticContact CD1-CE3 3.97Å; Y689-W708 HydrophobicContact CD1-CE3 3.97Å; Y689-W708 HydrophobicContact CE1-CE3 4.02Å; Y689-W708 HydrophobicContact CE1-CZ3 4.35Å; Y689-R711 HydrophobicContact CE2-CB 4.1Å; Y689-L715 HydrophobicContact CD2-CD1 4.2Å; Y689-L715 HydrophobicContact CE2-CD1 3.75Å; Y689-L715 HydrophobicContact CE2-CG 4.41Å |
| 690 | C | 95.4 | Very high | 92 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -64.1 | -45.1 | 171.3 | -59.5 | 0 | 0 | 0 | 0 | 111.4 | I686 E687 A692 F693 E694 W723 | I686-C690 PolarHBondContact O-N 3.28Å; I686-C690 VanDerWaalsContact O-N 3.08Å; I686-C690 PolarHBondContact O-SG 2.91Å; E687-C690 PolarHBondContact O-N 3.41Å; C690-A692 VanDerWaalsContact C-N 3.32Å; C690-A692 PolarHBondContact O-N 2.97Å; C690-F693 WeakPolarHBondContact O-CB 3.34Å; C690-F693 PolarHBondContact O-N 2.92Å; C690-F693 VanDerWaalsContact O-N 3.14Å; C690-E694 WeakPolarHBondContact O-CG 3.5Å; C690-E694 PolarHBondContact O-N 2.92Å; C690-W723 HydrophobicContact CB-CD2 3.44Å; C690-W723 VanDerWaalsContact CB-CD2 3.44Å; C690-W723 VanDerWaalsContact CB-CE2 3.44Å; C690-W723 HydrophobicContact CB-CE3 3.55Å; C690-W723 HydrophobicContact CB-CG 4.11Å; C690-W723 HydrophobicContact CB-CH2 3.73Å; C690-W723 HydrophobicContact CB-CZ2 3.59Å; C690-W723 HydrophobicContact CB-CZ3 3.7Å |
| 691 | L | 95.8 | Very high | 92.4 | Very high | 2 Ų | 2 | 40.6 Ų | 40.6 | 1% | 0.01 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -59.5 | -42.6 | 173.3 | -72 | 170.1 | 0 | 0 | 0 | 111.8 | F565 Q569 V572 L675 E687 F693 E694 V695 W723 | F565-L691 HydrophobicContact CE2-CD1 4.46Å; Q569-L691 HydrophobicContact CB-CD1 3.88Å; Q569-L691 HydrophobicContact CG-CD1 4.02Å; Q569-L691 HydrophobicContact CG-CD2 4.33Å; V572-L691 HydrophobicContact CB-CD2 4.44Å; V572-L691 HydrophobicContact CG1-CB 4.48Å; V572-L691 HydrophobicContact CG1-CD2 3.93Å; L675-L691 HydrophobicContact CD1-CB 4.06Å; E687-L691 WeakPolarHBondContact O-CG 3.45Å; E687-L691 PolarHBondContact O-N 3.26Å; L691-F693 VanDerWaalsContact C-N 3.31Å; L691-F693 PolarHBondContact O-N 2.93Å; L691-E694 PolarHBondContact O-N 3.3Å; L691-V695 WeakPolarHBondContact O-CG2 3.34Å; L691-V695 PolarHBondContact O-N 2.96Å; L691-V695 VanDerWaalsContact O-N 3.09Å; L691-W723 HydrophobicContact CD2-CH2 3.83Å; L691-W723 HydrophobicContact CD2-CZ2 4.46Å; L691-W723 HydrophobicContact CG-CH2 3.86Å |
| 692 | A | 96.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -61.3 | -42.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | L675 L679 A688 Y689 C690 V695 Y696 W708 | L675-A692 HydrophobicContact CD1-CB 4.13Å; L675-A692 HydrophobicContact CD2-CB 3.8Å; L675-A692 HydrophobicContact CG-CB 4.41Å; L679-A692 HydrophobicContact CD1-CB 3.99Å; L679-A692 HydrophobicContact CD2-CB 3.97Å; A688-A692 WeakPolarHBondContact O-CB 3.34Å; A688-A692 PolarHBondContact O-N 3.24Å; Y689-A692 PolarHBondContact O-N 3.07Å; C690-A692 VanDerWaalsContact C-N 3.32Å; C690-A692 PolarHBondContact O-N 2.97Å; A692-V695 PolarHBondContact O-N 3.07Å; A692-Y696 HydrophobicContact CB-CD2 4.18Å; A692-Y696 HydrophobicContact CB-CE2 4.16Å; A692-Y696 WeakPolarHBondContact O-CB 3.36Å; A692-Y696 WeakPolarHBondContact O-CD2 3.43Å; A692-Y696 PolarHBondContact O-N 3.27Å; A692-W708 HydrophobicContact CB-CB 4.38Å; A692-W708 HydrophobicContact CB-CD2 4.36Å; A692-W708 HydrophobicContact CB-CG 3.87Å |
| 693 | F | 96.5 | Very high | 93.7 | Very high | 2 Ų | 2 | 43 Ų | 43 | 1% | 0.009 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -57.9 | -49 | 173.9 | -177 | -91 | 0 | 0 | 0 | 111.2 | Y689 C690 L691 V695 Y696 E697 M705 I709 C727 R730 F731 | Y689-F693 WeakPolarHBondContact O-CB 3.49Å; Y689-F693 PolarHBondContact O-N 3.14Å; C690-F693 WeakPolarHBondContact O-CB 3.34Å; C690-F693 PolarHBondContact O-N 2.92Å; C690-F693 VanDerWaalsContact O-N 3.14Å; L691-F693 VanDerWaalsContact C-N 3.31Å; L691-F693 PolarHBondContact O-N 2.93Å; F693-V695 VanDerWaalsContact C-N 3.31Å; F693-V695 PolarHBondContact O-N 3.27Å; F693-Y696 PolarHBondContact O-N 3.49Å; F693-E697 HydrophobicContact CE1-CB 4.28Å; F693-E697 HydrophobicContact CE1-CG 4.37Å; F693-E697 HydrophobicContact CZ-CG 4.5Å; F693-E697 WeakPolarHBondContact O-CB 3.43Å; F693-E697 PolarHBondContact O-N 3.44Å; F693-M705 HydrophobicContact CD2-CB 4.13Å; F693-M705 HydrophobicContact CD2-CE 4.21Å; F693-M705 HydrophobicContact CD2-CG 4.34Å; F693-M705 HydrophobicContact CE2-CB 4.12Å; F693-M705 HydrophobicContact CE2-CE 3.37Å; F693-M705 HydrophobicContact CE2-CG 4.32Å; F693-M705 HydrophobicContact CZ-CE 3.57Å; F693-I709 HydrophobicContact CD2-CD1 3.95Å; F693-I709 HydrophobicContact CD2-CG1 4.27Å; F693-I709 HydrophobicContact CE2-CD1 3.83Å; F693-C727 HydrophobicContact CB-CB 4.26Å; F693-C727 HydrophobicContact CD1-CB 3.59Å; F693-C727 VanDerWaalsContact CD1-SG 3.58Å; F693-C727 HydrophobicContact CD2-CB 4.21Å; F693-C727 HydrophobicContact CE1-CB 3.94Å; F693-C727 HydrophobicContact CG-CB 3.74Å; F693-C727 HydrophobicContact CZ-CB 4.39Å; F693-C727 WeakPolarHBondContact CZ-O 3.47Å; F693-R730 HydrophobicContact CE1-CB 4.13Å; F693-R730 HydrophobicContact CZ-CB 4.11Å; F693-F731 HydrophobicContact CE2-CB 3.75Å; F693-F731 HydrophobicContact CE2-CD2 4.27Å; F693-F731 HydrophobicContact CE2-CG 4.3Å; F693-F731 HydrophobicContact CZ-CB 4.01Å |
| 694 | E | 95.3 | Very high | 94.5 | Very high | 18 Ų | 18 | 42.3 Ų | 42.3 | 8% | 0.084 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -57.5 | -40.6 | 179.5 | -68.8 | -63.8 | 162.6 | 0 | 0 | 113.4 | L576 C690 L691 R698 W723 R730 | L576-E694 HydrophobicContact CD1-CB 3.7Å; L576-E694 HydrophobicContact CD1-CG 4.47Å; L576-E694 HydrophobicContact CD2-CB 4.38Å; C690-E694 WeakPolarHBondContact O-CG 3.5Å; C690-E694 PolarHBondContact O-N 2.92Å; L691-E694 PolarHBondContact O-N 3.3Å; E694-R698 PolarHBondContact O-NH1 3.15Å; E694-R698 IonicContact OE2-CZ 2.74Å; E694-R698 IonicContact OE2-NH1 2.65Å; E694-R698 PolarHBondContact OE2-NH1 3.28Å; E694-R698 IonicContact OE2-NH2 3.75Å; E694-W723 HydrophobicContact CG-CZ2 4.16Å; E694-R730 IonicContact OE1-CZ 2.93Å; E694-R730 IonicContact OE1-NH1 2.68Å; E694-R730 PolarHBondContact OE1-NH1 3.28Å; E694-R730 IonicContact OE1-NH2 2.77Å; E694-R730 PolarHBondContact OE1-NH2 3.4Å; E694-R730 IonicContact OE2-CZ 2.62Å; E694-R730 IonicContact OE2-NH1 3.02Å; E694-R730 IonicContact OE2-NH2 2.83Å; E694-R730 PolarHBondContact OE2-NH2 3.36Å |
| 695 | V | 96.7 | Very high | 95.1 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -70.9 | -49 | 177.5 | 174.4 | 0 | 0 | 0 | 0 | 110.8 | V572 L576 A671 L675 L691 A692 F693 R698 K699 | V572-V695 HydrophobicContact CG1-CG2 3.79Å; L576-V695 HydrophobicContact CD2-CG2 4.05Å; L576-V695 HydrophobicContact CG-CG2 4.49Å; A671-V695 HydrophobicContact CB-CG2 4.04Å; L675-V695 HydrophobicContact CD2-CB 4.34Å; L675-V695 HydrophobicContact CD2-CG2 4.32Å; L691-V695 WeakPolarHBondContact O-CG2 3.34Å; L691-V695 PolarHBondContact O-N 2.96Å; L691-V695 VanDerWaalsContact O-N 3.09Å; A692-V695 PolarHBondContact O-N 3.07Å; F693-V695 VanDerWaalsContact C-N 3.31Å; F693-V695 PolarHBondContact O-N 3.27Å; V695-R698 PolarHBondContact O-N 2.82Å; V695-K699 HydrophobicContact CG1-CD 4.39Å; V695-K699 WeakPolarHBondContact O-CG 3.35Å; V695-K699 PolarHBondContact O-N 2.87Å |
| 696 | Y | 97.1 | Very high | 95.5 | Very high | 15 Ų | 15 | 32.7 Ų | 32.7 | 6% | 0.059 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -76.4 | -24.3 | -174.1 | -67.6 | -54.3 | 0 | 0 | 0 | 113.9 | L675 A692 F693 K699 R700 K701 L704 W708 | L675-Y696 HydrophobicContact CD2-CE2 4.17Å; A692-Y696 HydrophobicContact CB-CD2 4.18Å; A692-Y696 HydrophobicContact CB-CE2 4.16Å; A692-Y696 WeakPolarHBondContact O-CB 3.36Å; A692-Y696 WeakPolarHBondContact O-CD2 3.43Å; A692-Y696 PolarHBondContact O-N 3.27Å; F693-Y696 PolarHBondContact O-N 3.49Å; Y696-K699 HydrophobicContact CD1-CD 4.3Å; Y696-K699 HydrophobicContact CE1-CD 4.48Å; Y696-K699 CarbonylContact O-C 3.6Å; Y696-K699 PolarHBondContact O-N 2.96Å; Y696-R700 PolarHBondContact O-N 3.47Å; Y696-K701 HydrophobicContact CD1-CB 4.23Å; Y696-K701 HydrophobicContact CD1-CD 4.13Å; Y696-K701 HydrophobicContact CE1-CD 4.46Å; Y696-K701 PolarHBondContact O-N 3.38Å; Y696-L704 HydrophobicContact CD1-CB 4.03Å; Y696-L704 HydrophobicContact CD1-CD1 3.55Å; Y696-L704 HydrophobicContact CD1-CG 4.45Å; Y696-L704 HydrophobicContact CD2-CB 3.86Å; Y696-L704 HydrophobicContact CE1-CB 4.4Å; Y696-L704 HydrophobicContact CE1-CD1 3.34Å; Y696-L704 HydrophobicContact CE1-CG 4.47Å; Y696-L704 HydrophobicContact CE2-CB 4.25Å; Y696-L704 HydrophobicContact CE2-CD1 4.36Å; Y696-L704 HydrophobicContact CG-CB 3.75Å; Y696-L704 HydrophobicContact CG-CD1 4.16Å; Y696-W708 AromaticContact CD2-CD1 3.56Å; Y696-W708 AromaticContact CD2-NE1 3.41Å; Y696-W708 AromaticContact CE2-CD1 3.75Å; Y696-W708 AromaticContact CE2-NE1 3.12Å |
| 697 | E | 95.6 | Very high | 95.6 | Very high | 19 Ų | 19 | 36.2 Ų | 36.2 | 9% | 0.089 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -60.5 | -50.5 | 168.5 | -170 | -164.5 | -123.5 | 0 | 0 | 110.3 | F693 K699 R700 M705 R730 Q734 | F693-E697 HydrophobicContact CE1-CB 4.28Å; F693-E697 HydrophobicContact CE1-CG 4.37Å; F693-E697 HydrophobicContact CZ-CG 4.5Å; F693-E697 WeakPolarHBondContact O-CB 3.43Å; F693-E697 PolarHBondContact O-N 3.44Å; E697-K699 VanDerWaalsContact C-N 3.34Å; E697-K699 PolarHBondContact O-N 3.49Å; E697-R700 WeakPolarHBondContact O-CA 3.49Å; E697-R700 PolarHBondContact O-N 3.27Å; E697-M705 HydrophobicContact CB-CE 3.84Å; E697-M705 HydrophobicContact CB-SD 4.44Å; E697-M705 HydrophobicContact CG-CE 3.81Å; E697-R730 IonicContact OE1-CZ 2.82Å; E697-R730 IonicContact OE1-NE 3.06Å; E697-R730 PolarHBondContact OE1-NE 3.36Å; E697-R730 IonicContact OE1-NH2 3.92Å; E697-R730 PolarHBondContact OE1-NH2 2.91Å; E697-R730 VanDerWaalsContact OE1-NH2 3.15Å; E697-R730 IonicContact OE2-CZ 2.58Å; E697-R730 IonicContact OE2-NE 3.92Å; E697-R730 IonicContact OE2-NH2 2.71Å; E697-R730 PolarHBondContact OE2-NH2 3.28Å; E697-Q734 VanDerWaalsContact CD-NE2 3.32Å; E697-Q734 PolarHBondContact OE1-NE2 2.82Å |
| 698 | R | 94.3 | Very high | 95.7 | Very high | 39 Ų | 39 | 33.4 Ų | 33.4 | 15% | 0.147 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -66.3 | -34.3 | 177.2 | -71.4 | 171.4 | 179.5 | 76.1 | 1.1 | 112.6 | Y579 L668 E694 V695 R700 | Y579-R698 HydrophobicContact CD1-CB 4.29Å; Y579-R698 HydrophobicContact CD1-CG 4.2Å; Y579-R698 HydrophobicContact CE1-CB 3.83Å; Y579-R698 HydrophobicContact CE1-CG 3.93Å; L668-R698 HydrophobicContact CD1-CB 3.8Å; L668-R698 HydrophobicContact CD2-CB 4Å; E694-R698 PolarHBondContact O-NH1 3.15Å; E694-R698 IonicContact OE2-CZ 2.74Å; E694-R698 IonicContact OE2-NH1 2.65Å; E694-R698 PolarHBondContact OE2-NH1 3.28Å; E694-R698 IonicContact OE2-NH2 3.75Å; V695-R698 PolarHBondContact O-N 2.82Å; R698-R700 PolarHBondContact O-N 3.34Å |
| 699 | K | 95.2 | Very high | 95.8 | Very high | 39 Ų | 39 | 33.5 Ų | 33.5 | 17% | 0.17 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | -5.6 | 170 | -67.2 | -167.8 | 173.1 | -177.5 | 0 | 113.8 | L668 E669 S672 V695 Y696 E697 K701 | L668-K699 HydrophobicContact CB-CD 4.27Å; L668-K699 HydrophobicContact CB-CG 3.92Å; L668-K699 HydrophobicContact CD1-CG 3.66Å; L668-K699 HydrophobicContact CG-CG 4.42Å; L668-K699 WeakPolarHBondContact O-CE 3.45Å; L668-K699 PolarHBondContact O-NZ 3.42Å; E669-K699 IonicContact OE2-NZ 3.41Å; E669-K699 PolarHBondContact OE2-NZ 2.97Å; S672-K699 PolarHBondContact OG-NZ 2.93Å; V695-K699 HydrophobicContact CG1-CD 4.39Å; V695-K699 WeakPolarHBondContact O-CG 3.35Å; V695-K699 PolarHBondContact O-N 2.87Å; Y696-K699 HydrophobicContact CD1-CD 4.3Å; Y696-K699 HydrophobicContact CE1-CD 4.48Å; Y696-K699 CarbonylContact O-C 3.6Å; Y696-K699 PolarHBondContact O-N 2.96Å; E697-K699 VanDerWaalsContact C-N 3.34Å; E697-K699 PolarHBondContact O-N 3.49Å; K699-K701 HydrophobicContact CB-CD 4.28Å; K699-K701 HydrophobicContact CB-CG 3.99Å; K699-K701 PolarHBondContact O-N 3.4Å |
| 700 | R | 94.3 | Very high | 95.8 | Very high | 202 Ų | 202 | 34.7 Ų | 34.7 | 76% | 0.762 | 15% | 0.154 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.5 | 34.7 | -174.4 | -58.7 | -173.5 | 175.5 | -156.2 | -1.7 | 114.1 | Y696 E697 R698 F702 | Y696-R700 PolarHBondContact O-N 3.47Å; E697-R700 WeakPolarHBondContact O-CA 3.49Å; E697-R700 PolarHBondContact O-N 3.27Å; R698-R700 PolarHBondContact O-N 3.34Å; R700-F702 PolarHBondContact O-N 2.85Å |
| 701 | K | 96.1 | Very high | 95.6 | Very high | 100 Ų | 100 | 39.3 Ų | 39.3 | 44% | 0.435 | 17% | 0.172 | S | C | . | . | trans | -95.5 | 76.6 | -178.9 | -67.9 | -170.4 | -179.4 | -178.5 | 0 | 111.4 | Y696 K699 L703 L704 M705 | Y696-K701 HydrophobicContact CD1-CB 4.23Å; Y696-K701 HydrophobicContact CD1-CD 4.13Å; Y696-K701 HydrophobicContact CE1-CD 4.46Å; Y696-K701 PolarHBondContact O-N 3.38Å; K699-K701 HydrophobicContact CB-CD 4.28Å; K699-K701 HydrophobicContact CB-CG 3.99Å; K699-K701 PolarHBondContact O-N 3.4Å; K701-L703 VanDerWaalsContact C-N 3.33Å; K701-L703 PolarHBondContact O-N 3.01Å; K701-L704 HydrophobicContact CB-CB 4.2Å; K701-L704 HydrophobicContact CB-CD1 4.04Å; K701-L704 HydrophobicContact CB-CG 4.3Å; K701-L704 HydrophobicContact CD-CD1 3.6Å; K701-L704 HydrophobicContact CG-CD1 4.45Å; K701-L704 PolarHBondContact O-N 3.24Å; K701-M705 WeakPolarHBondContact O-CG 3.5Å; K701-M705 PolarHBondContact O-N 3.46Å | ||
| 702 | F | 95.9 | Very high | 95.5 | Very high | 35 Ų | 35 | 39.2 Ų | 39.2 | 15% | 0.154 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -52.4 | -39.9 | -175.6 | -70.5 | -87.7 | 0 | 0 | 0 | 115.3 | R700 L704 M705 L706 F731 Q734 L735 V745 L749 | R700-F702 PolarHBondContact O-N 2.85Å; F702-L704 VanDerWaalsContact C-N 3.31Å; F702-L704 PolarHBondContact O-N 3.22Å; F702-M705 HydrophobicContact CD1-SD 4.45Å; F702-M705 WeakPolarHBondContact O-CB 3.16Å; F702-M705 PolarHBondContact O-N 2.85Å; F702-L706 WeakPolarHBondContact O-CB 3.35Å; F702-L706 PolarHBondContact O-N 3.29Å; F702-F731 HydrophobicContact CD1-CE2 4.29Å; F702-Q734 HydrophobicContact CE1-CB 4.19Å; F702-L735 HydrophobicContact CD1-CD2 4.02Å; F702-L735 HydrophobicContact CE1-CD2 4.35Å; F702-V745 HydrophobicContact CB-CG1 4.24Å; F702-L749 HydrophobicContact CB-CD1 3.83Å; F702-L749 HydrophobicContact CB-CD2 4.2Å; F702-L749 HydrophobicContact CD1-CD1 4.46Å; F702-L749 HydrophobicContact CG-CD1 4.26Å |
| 703 | L | 97 | Very high | 95.3 | Very high | 64 Ų | 64 | 42.2 Ų | 42.2 | 34% | 0.335 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -67.8 | -32.8 | 179.1 | -62.4 | -175.1 | 0 | 0 | 0 | 112.6 | K701 K707 V745 V748 L749 | K701-L703 VanDerWaalsContact C-N 3.33Å; K701-L703 PolarHBondContact O-N 3.01Å; L703-K707 WeakPolarHBondContact O-CB 3.37Å; L703-K707 PolarHBondContact O-N 3.19Å; L703-V745 HydrophobicContact CD1-CG2 4.09Å; L703-V745 HydrophobicContact CD2-CG1 4.03Å; L703-V745 HydrophobicContact CG-CB 4.5Å; L703-V745 HydrophobicContact CG-CG1 3.98Å; L703-V745 HydrophobicContact CG-CG2 4.3Å; L703-V748 HydrophobicContact CD2-CB 3.88Å; L703-V748 HydrophobicContact CD2-CG1 3.72Å; L703-L749 HydrophobicContact CD2-CD2 4.16Å; L703-L749 HydrophobicContact CD2-CG 4.14Å |
| 704 | L | 96.1 | Very high | 95 | Very high | 49 Ų | 49 | 49.4 Ų | 49.4 | 26% | 0.257 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -74.3 | -40.4 | 175.3 | -65 | 178.5 | 0 | 0 | 0 | 110.3 | Y696 K701 F702 L706 K707 W708 | Y696-L704 HydrophobicContact CD1-CB 4.03Å; Y696-L704 HydrophobicContact CD1-CD1 3.55Å; Y696-L704 HydrophobicContact CD1-CG 4.45Å; Y696-L704 HydrophobicContact CD2-CB 3.86Å; Y696-L704 HydrophobicContact CE1-CB 4.4Å; Y696-L704 HydrophobicContact CE1-CD1 3.34Å; Y696-L704 HydrophobicContact CE1-CG 4.47Å; Y696-L704 HydrophobicContact CE2-CB 4.25Å; Y696-L704 HydrophobicContact CE2-CD1 4.36Å; Y696-L704 HydrophobicContact CG-CB 3.75Å; Y696-L704 HydrophobicContact CG-CD1 4.16Å; K701-L704 HydrophobicContact CB-CB 4.2Å; K701-L704 HydrophobicContact CB-CD1 4.04Å; K701-L704 HydrophobicContact CB-CG 4.3Å; K701-L704 HydrophobicContact CD-CD1 3.6Å; K701-L704 HydrophobicContact CG-CD1 4.45Å; K701-L704 PolarHBondContact O-N 3.24Å; F702-L704 VanDerWaalsContact C-N 3.31Å; F702-L704 PolarHBondContact O-N 3.22Å; L704-L706 VanDerWaalsContact C-N 3.33Å; L704-L706 PolarHBondContact O-N 2.89Å; L704-K707 HydrophobicContact CD2-CD 4.42Å; L704-K707 WeakPolarHBondContact O-CB 3.37Å; L704-K707 PolarHBondContact O-N 2.86Å; L704-W708 PolarHBondContact O-N 2.96Å; L704-W708 VanDerWaalsContact O-N 3.09Å; L704-W708 PolarHBondContact O-NE1 3.15Å |
| 705 | M | 97.2 | Very high | 94.8 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -55.3 | -49.4 | 171.4 | -60.7 | 164.2 | 74.5 | 0 | 0 | 110.9 | F693 E697 K701 F702 K707 W708 I709 F731 | F693-M705 HydrophobicContact CD2-CB 4.13Å; F693-M705 HydrophobicContact CD2-CE 4.21Å; F693-M705 HydrophobicContact CD2-CG 4.34Å; F693-M705 HydrophobicContact CE2-CB 4.12Å; F693-M705 HydrophobicContact CE2-CE 3.37Å; F693-M705 HydrophobicContact CE2-CG 4.32Å; F693-M705 HydrophobicContact CZ-CE 3.57Å; E697-M705 HydrophobicContact CB-CE 3.84Å; E697-M705 HydrophobicContact CB-SD 4.44Å; E697-M705 HydrophobicContact CG-CE 3.81Å; K701-M705 WeakPolarHBondContact O-CG 3.5Å; K701-M705 PolarHBondContact O-N 3.46Å; F702-M705 HydrophobicContact CD1-SD 4.45Å; F702-M705 WeakPolarHBondContact O-CB 3.16Å; F702-M705 PolarHBondContact O-N 2.85Å; M705-K707 PolarHBondContact O-N 3.24Å; M705-W708 PolarHBondContact O-N 3.33Å; M705-I709 WeakPolarHBondContact O-CG1 3.4Å; M705-I709 PolarHBondContact O-N 3.48Å; M705-F731 HydrophobicContact CB-CD2 4.11Å; M705-F731 HydrophobicContact CB-CE2 3.97Å; M705-F731 HydrophobicContact CE-CD2 3.85Å; M705-F731 HydrophobicContact CE-CE2 4.5Å |
| 706 | L | 97 | Very high | 94 | Very high | 11 Ų | 11 | 57 Ų | 57 | 6% | 0.058 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -59.7 | -45.1 | 176.1 | 178.9 | 65.7 | 0 | 0 | 0 | 112.3 | F702 L704 W708 I709 S710 F731 L749 E752 V753 L756 | F702-L706 WeakPolarHBondContact O-CB 3.35Å; F702-L706 PolarHBondContact O-N 3.29Å; L704-L706 VanDerWaalsContact C-N 3.33Å; L704-L706 PolarHBondContact O-N 2.89Å; L706-W708 VanDerWaalsContact C-N 3.31Å; L706-W708 PolarHBondContact O-N 3.39Å; L706-I709 PolarHBondContact O-N 2.98Å; L706-S710 VanDerWaalsContact O-CB 3.28Å; L706-S710 WeakPolarHBondContact O-CB 3.19Å; L706-S710 PolarHBondContact O-N 3.32Å; L706-F731 HydrophobicContact CB-CZ 3.94Å; L706-F731 HydrophobicContact CD1-CE1 4.02Å; L706-F731 HydrophobicContact CD1-CZ 4.14Å; L706-L749 HydrophobicContact CB-CD2 4.22Å; L706-L749 HydrophobicContact CD2-CD2 3.93Å; L706-E752 HydrophobicContact CD2-CB 3.72Å; L706-E752 HydrophobicContact CD2-CG 4.46Å; L706-V753 HydrophobicContact CD1-CG2 4.04Å; L706-L756 HydrophobicContact CD1-CD1 3.49Å; L706-L756 VanDerWaalsContact CD1-CD1 3.49Å |
| 707 | K | 95.2 | Very high | 93.1 | Very high | 89 Ų | 89 | 62.6 Ų | 62.6 | 39% | 0.387 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -55.9 | -45.7 | 179.4 | 178.5 | -175.7 | 175.3 | -173.3 | 0 | 111.4 | L703 L704 M705 R711 | L703-K707 WeakPolarHBondContact O-CB 3.37Å; L703-K707 PolarHBondContact O-N 3.19Å; L704-K707 HydrophobicContact CD2-CD 4.42Å; L704-K707 WeakPolarHBondContact O-CB 3.37Å; L704-K707 PolarHBondContact O-N 2.86Å; M705-K707 PolarHBondContact O-N 3.24Å; K707-R711 PolarHBondContact O-N 3.47Å; K707-R711 VanDerWaalsContact O-N 3.09Å |
| 708 | W | 94.2 | Very high | 92.6 | Very high | 8 Ų | 8 | 62 Ų | 62 | 3% | 0.03 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -77.6 | -35.1 | -176.6 | -55.4 | 124.4 | 0 | 0 | 0 | 112.6 | L679 Y689 A692 Y696 L704 M705 L706 R711 G712 | L679-W708 HydrophobicContact CB-CH2 3.81Å; L679-W708 HydrophobicContact CB-CZ2 4.43Å; L679-W708 HydrophobicContact CB-CZ3 4.05Å; L679-W708 HydrophobicContact CD1-CD2 4.36Å; L679-W708 HydrophobicContact CD1-CH2 3.79Å; L679-W708 HydrophobicContact CD1-CZ2 3.56Å; L679-W708 HydrophobicContact CD1-CZ3 4.29Å; L679-W708 HydrophobicContact CD2-CD2 4.32Å; L679-W708 HydrophobicContact CD2-CE3 4.03Å; L679-W708 HydrophobicContact CD2-CH2 4.34Å; L679-W708 HydrophobicContact CD2-CZ3 4.01Å; L679-W708 HydrophobicContact CG-CH2 4.21Å; L679-W708 HydrophobicContact CG-CZ2 4.44Å; L679-W708 HydrophobicContact CG-CZ3 4.35Å; Y689-W708 AromaticContact CD1-CE3 3.97Å; Y689-W708 HydrophobicContact CD1-CE3 3.97Å; Y689-W708 HydrophobicContact CE1-CE3 4.02Å; Y689-W708 HydrophobicContact CE1-CZ3 4.35Å; A692-W708 HydrophobicContact CB-CB 4.38Å; A692-W708 HydrophobicContact CB-CD2 4.36Å; A692-W708 HydrophobicContact CB-CG 3.87Å; Y696-W708 AromaticContact CD2-CD1 3.56Å; Y696-W708 AromaticContact CD2-NE1 3.41Å; Y696-W708 AromaticContact CE2-CD1 3.75Å; Y696-W708 AromaticContact CE2-NE1 3.12Å; L704-W708 PolarHBondContact O-N 2.96Å; L704-W708 VanDerWaalsContact O-N 3.09Å; L704-W708 PolarHBondContact O-NE1 3.15Å; M705-W708 PolarHBondContact O-N 3.33Å; L706-W708 VanDerWaalsContact C-N 3.31Å; L706-W708 PolarHBondContact O-N 3.39Å; W708-R711 PolarHBondContact O-N 3.03Å; W708-G712 PolarHBondContact O-N 3.3Å |
| 709 | I | 95.7 | Very high | 92.1 | Very high | 2 Ų | 2 | 68.1 Ų | 68.1 | 1% | 0.01 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -60.7 | -46.6 | 169.1 | -71.2 | 172 | 0 | 0 | 0 | 110.4 | F693 M705 L706 R711 G712 V713 F724 F731 F757 | F693-I709 HydrophobicContact CD2-CD1 3.95Å; F693-I709 HydrophobicContact CD2-CG1 4.27Å; F693-I709 HydrophobicContact CE2-CD1 3.83Å; M705-I709 WeakPolarHBondContact O-CG1 3.4Å; M705-I709 PolarHBondContact O-N 3.48Å; L706-I709 PolarHBondContact O-N 2.98Å; I709-R711 PolarHBondContact O-N 3.18Å; I709-G712 PolarHBondContact O-N 3.41Å; I709-G712 VanDerWaalsContact O-N 3.16Å; I709-V713 HydrophobicContact CG2-CG2 4.4Å; I709-V713 WeakPolarHBondContact O-CG2 3.45Å; I709-V713 PolarHBondContact O-N 3.46Å; I709-F724 HydrophobicContact CG2-CZ 4.4Å; I709-F731 HydrophobicContact CD1-CB 3.56Å; I709-F731 HydrophobicContact CD1-CD1 3.42Å; I709-F731 VanDerWaalsContact CD1-CD1 3.42Å; I709-F731 HydrophobicContact CD1-CD2 4.2Å; I709-F731 HydrophobicContact CD1-CE1 4.11Å; I709-F731 HydrophobicContact CD1-CG 3.46Å; I709-F731 VanDerWaalsContact CD1-CG 3.46Å; I709-F757 HydrophobicContact CG2-CE2 4.01Å; I709-F757 HydrophobicContact CG2-CZ 3.73Å |
| 710 | S | 94.9 | Very high | 91.8 | Very high | 35 Ų | 35 | 69.2 Ų | 69.2 | 25% | 0.245 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -58.4 | -44.8 | 178.8 | -178.9 | 0 | 0 | 0 | 0 | 112.5 | L706 | L706-S710 VanDerWaalsContact O-CB 3.28Å; L706-S710 WeakPolarHBondContact O-CB 3.19Å; L706-S710 PolarHBondContact O-N 3.32Å |
| 711 | R | 92.3 | Very high | 91.9 | Very high | 97 Ų | 97 | 60.9 Ų | 60.9 | 37% | 0.366 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -66.9 | -40.9 | 174.7 | -74.3 | -173.9 | 173.8 | -168.1 | -2.9 | 112.3 | Y689 K707 W708 I709 V713 Q714 | Y689-R711 HydrophobicContact CE2-CB 4.1Å; K707-R711 PolarHBondContact O-N 3.47Å; K707-R711 VanDerWaalsContact O-N 3.09Å; W708-R711 PolarHBondContact O-N 3.03Å; I709-R711 PolarHBondContact O-N 3.18Å; R711-V713 PolarHBondContact O-N 3.18Å; R711-Q714 WeakPolarHBondContact O-CB 3.35Å; R711-Q714 PolarHBondContact O-N 3.32Å |
| 712 | G | 92.9 | Very high | 91.9 | Very high | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -59.3 | -45.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | W708 I709 Q714 L715 S718 | W708-G712 PolarHBondContact O-N 3.3Å; I709-G712 PolarHBondContact O-N 3.41Å; I709-G712 VanDerWaalsContact O-N 3.16Å; G712-Q714 PolarHBondContact O-N 2.76Å; G712-Q714 VanDerWaalsContact O-N 3.13Å; G712-L715 WeakPolarHBondContact O-CB 3.46Å; G712-L715 PolarHBondContact O-N 2.75Å; G712-S718 WeakPolarHBondContact O-CB 3.28Å; G712-S718 PolarHBondContact O-OG 2.75Å |
| 713 | V | 92.5 | Very high | 91.8 | Very high | 63 Ų | 63 | 57.8 Ų | 57.8 | 38% | 0.382 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -59.8 | -25.1 | 178.3 | 171.5 | 0 | 0 | 0 | 0 | 112.8 | I709 R711 L715 S718 F724 | I709-V713 HydrophobicContact CG2-CG2 4.4Å; I709-V713 WeakPolarHBondContact O-CG2 3.45Å; I709-V713 PolarHBondContact O-N 3.46Å; R711-V713 PolarHBondContact O-N 3.18Å; V713-L715 VanDerWaalsContact C-N 3.26Å; V713-L715 PolarHBondContact O-N 2.83Å; V713-S718 PolarHBondContact O-OG 3.33Å; V713-F724 HydrophobicContact CG2-CE1 4.03Å; V713-F724 HydrophobicContact CG2-CZ 4.11Å |
| 714 | Q | 89.9 | Confident | 91.8 | Very high | 152 Ų | 152 | 55.1 Ų | 55.1 | 71% | 0.71 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.6 | -11.7 | 177.2 | -64.9 | 173.8 | 1 | 0 | 0 | 113.4 | R711 G712 | R711-Q714 WeakPolarHBondContact O-CB 3.35Å; R711-Q714 PolarHBondContact O-N 3.32Å; G712-Q714 PolarHBondContact O-N 2.76Å; G712-Q714 VanDerWaalsContact O-N 3.13Å |
| 715 | L | 90.2 | Very high | 91.9 | Very high | 41 Ų | 41 | 53 Ų | 53 | 22% | 0.215 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -82.1 | 140.2 | 177 | -61.8 | -179.3 | 0 | 0 | 0 | 111.5 | P683 I686 Y689 G712 V713 N717 S718 | P683-L715 WeakPolarHBondContact O-CD2 3.42Å; I686-L715 HydrophobicContact CB-CD1 4.34Å; I686-L715 HydrophobicContact CD1-CD1 4.14Å; Y689-L715 HydrophobicContact CD2-CD1 4.2Å; Y689-L715 HydrophobicContact CE2-CD1 3.75Å; Y689-L715 HydrophobicContact CE2-CG 4.41Å; G712-L715 WeakPolarHBondContact O-CB 3.46Å; G712-L715 PolarHBondContact O-N 2.75Å; V713-L715 VanDerWaalsContact C-N 3.26Å; V713-L715 PolarHBondContact O-N 2.83Å; L715-N717 PolarHBondContact O-N 3.23Å; L715-S718 WeakPolarHBondContact O-CB 3.37Å; L715-S718 PolarHBondContact O-N 2.9Å; L715-S718 PolarHBondContact O-OG 3.5Å |
| 716 | T | 80.4 | Confident | 91.8 | Very high | 136 Ų | 136 | 53.8 Ų | 53.8 | 83% | 0.834 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | -34 | -175 | 54.8 | 0 | 0 | 0 | 0 | 113.7 | ||
| 717 | N | 77.6 | Confident | 91.8 | Very high | 134 Ų | 134 | 53.3 Ų | 53.3 | 72% | 0.717 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102 | 10 | -173.8 | -59.2 | -2.6 | 0 | 0 | 0 | 113 | L715 | L715-N717 PolarHBondContact O-N 3.23Š|
| 718 | S | 85.1 | Confident | 91.9 | Very high | 7 Ų | 7 | 49.1 Ų | 49.1 | 5% | 0.049 | 24% | 0.244 | C | C | . | . | trans | -73.9 | -37.5 | -173.4 | 61.8 | 0 | 0 | 0 | 0 | 113.9 | G712 V713 L715 D720 N721 | G712-S718 WeakPolarHBondContact O-CB 3.28Å; G712-S718 PolarHBondContact O-OG 2.75Å; V713-S718 PolarHBondContact O-OG 3.33Å; L715-S718 WeakPolarHBondContact O-CB 3.37Å; L715-S718 PolarHBondContact O-N 2.9Å; L715-S718 PolarHBondContact O-OG 3.5Å; S718-D720 PolarHBondContact O-N 3.07Å; S718-D720 VanDerWaalsContact O-N 3.16Å; S718-N721 PolarHBondContact O-N 2.95Å; S718-N721 VanDerWaalsContact O-N 3.13Å | ||
| 719 | R | 85.1 | Confident | 92 | Very high | 167 Ų | 167 | 48.7 Ų | 48.7 | 63% | 0.63 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | -30.6 | -171.2 | -176 | 176.7 | -175.4 | -176 | 3.1 | 113.9 | R777 | R719-R777 PolarHBondContact O-NH2 3.31Š|
| 720 | D | 89.4 | Confident | 92 | Very high | 62 Ų | 62 | 48.9 Ų | 48.9 | 33% | 0.332 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -117.3 | 16.8 | -178.6 | -59.2 | -52.7 | 0 | 0 | 0 | 111.9 | S718 P722 R777 N778 H784 | S718-D720 PolarHBondContact O-N 3.07Å; S718-D720 VanDerWaalsContact O-N 3.16Å; D720-P722 WeakPolarHBondContact O-CD 3.36Å; D720-R777 IonicContact OD1-CZ 3.33Å; D720-R777 IonicContact OD1-NE 2.71Å; D720-R777 PolarHBondContact OD1-NE 3.27Å; D720-R777 IonicContact OD1-NH2 3.04Å; D720-R777 PolarHBondContact OD1-NH2 2.98Å; D720-N778 PolarHBondContact OD1-ND2 3.12Å; D720-H784 PolarHBondContact O-CD2 3.19Å; D720-H784 PolarHBondContact O-NE2 3.4Å |
| 721 | N | 95.2 | Very high | 92.1 | Very high | 27 Ų | 27 | 47.2 Ų | 47.2 | 14% | 0.144 | 23% | 0.232 | C | C | . | . | trans | -76.2 | 119.9 | 172.3 | -179.5 | -79 | 0 | 0 | 0 | 110.1 | I686 S718 W723 F724 H725 | I686-N721 HydrophobicContact CG1-CB 4.44Å; I686-N721 WeakPolarHBondContact CG2-ND2 3.26Å; S718-N721 PolarHBondContact O-N 2.95Å; S718-N721 VanDerWaalsContact O-N 3.13Å; N721-W723 PolarHBondContact O-N 2.9Å; N721-W723 PolarHBondContact OD1-N 2.99Å; N721-F724 HydrophobicContact CB-CB 3.9Å; N721-F724 PolarHBondContact O-N 2.91Å; N721-F724 WeakPolarHBondContact OD1-CB 3.3Å; N721-F724 PolarHBondContact OD1-N 2.92Å; N721-H725 WeakPolarHBondContact O-CB 3.43Å; N721-H725 PolarHBondContact O-N 3.13Å | ||
| 722 | P | 95.4 | Very high | 92.3 | Very high | 22 Ų | 22 | 42.6 Ų | 42.6 | 14% | 0.143 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -63 | -37.3 | -173.1 | -24.7 | 34.4 | 0 | 0 | 0 | 114.7 | D720 E726 P783 R787 | D720-P722 WeakPolarHBondContact O-CD 3.36Å; P722-E726 PolarHBondContact O-N 2.49Å; P722-P783 HydrophobicContact CG-CB 4.15Å; P722-R787 HydrophobicContact CB-CB 4.04Å; P722-R787 HydrophobicContact CB-CG 3.67Å |
| 723 | W | 95.6 | Very high | 92.5 | Very high | 48 Ų | 48 | 43.5 Ų | 43.5 | 18% | 0.182 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -75.8 | -42.9 | -179.9 | -175.7 | 19.2 | 0 | 0 | 0 | 111.5 | E687 C690 L691 E694 N721 H725 E726 C727 | E687-W723 HydrophobicContact CB-CE3 4.46Å; E687-W723 HydrophobicContact CB-CZ3 3.96Å; E687-W723 HydrophobicContact CG-CE3 4.28Å; E687-W723 HydrophobicContact CG-CZ3 4.15Å; C690-W723 HydrophobicContact CB-CD2 3.44Å; C690-W723 VanDerWaalsContact CB-CD2 3.44Å; C690-W723 VanDerWaalsContact CB-CE2 3.44Å; C690-W723 HydrophobicContact CB-CE3 3.55Å; C690-W723 HydrophobicContact CB-CG 4.11Å; C690-W723 HydrophobicContact CB-CH2 3.73Å; C690-W723 HydrophobicContact CB-CZ2 3.59Å; C690-W723 HydrophobicContact CB-CZ3 3.7Å; L691-W723 HydrophobicContact CD2-CH2 3.83Å; L691-W723 HydrophobicContact CD2-CZ2 4.46Å; L691-W723 HydrophobicContact CG-CH2 3.86Å; E694-W723 HydrophobicContact CG-CZ2 4.16Å; N721-W723 PolarHBondContact O-N 2.9Å; N721-W723 PolarHBondContact OD1-N 2.99Å; W723-H725 VanDerWaalsContact C-N 3.3Å; W723-H725 PolarHBondContact O-N 3.34Å; W723-E726 WeakPolarHBondContact O-CB 3.49Å; W723-E726 PolarHBondContact O-N 3Å; W723-E726 VanDerWaalsContact O-N 3.15Å; W723-C727 PolarHBondContact O-N 3.41Å; W723-C727 PolarHBondContact O-SG 3.06Å; W723-C727 VanDerWaalsContact O-SG 3.41Å |
| 724 | F | 96.7 | Very high | 92.6 | Very high | 8 Ų | 8 | 42.2 Ų | 42.2 | 4% | 0.035 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -62.5 | -38.1 | 176.3 | -174.2 | -107.7 | 0 | 0 | 0 | 112.2 | I686 I709 V713 N721 E726 C727 C728 | I686-F724 HydrophobicContact CD1-CB 4.3Å; I686-F724 HydrophobicContact CD1-CD1 4.24Å; I686-F724 HydrophobicContact CD1-CD2 3.63Å; I686-F724 HydrophobicContact CD1-CE2 3.95Å; I686-F724 HydrophobicContact CD1-CG 3.79Å; I686-F724 HydrophobicContact CD1-CZ 4.38Å; I686-F724 HydrophobicContact CG1-CB 3.95Å; I686-F724 HydrophobicContact CG1-CD2 4.07Å; I686-F724 HydrophobicContact CG1-CG 4.01Å; I709-F724 HydrophobicContact CG2-CZ 4.4Å; V713-F724 HydrophobicContact CG2-CE1 4.03Å; V713-F724 HydrophobicContact CG2-CZ 4.11Å; N721-F724 HydrophobicContact CB-CB 3.9Å; N721-F724 PolarHBondContact O-N 2.91Å; N721-F724 WeakPolarHBondContact OD1-CB 3.3Å; N721-F724 PolarHBondContact OD1-N 2.92Å; F724-E726 VanDerWaalsContact C-N 3.35Å; F724-C727 WeakPolarHBondContact O-CB 3.34Å; F724-C727 PolarHBondContact O-N 2.85Å; F724-C728 PolarHBondContact O-N 3.03Å; F724-C728 PolarHBondContact O-SG 3.07Å |
| 725 | H | 96.6 | Very high | 92.8 | Very high | 4 Ų | 4 | 35 Ų | 35 | 2% | 0.019 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -58.9 | -45.4 | 172.7 | 178 | 69.3 | 0 | 0 | 0 | 111.7 | N721 W723 C727 C728 V729 Y770 N771 F774 | N721-H725 WeakPolarHBondContact O-CB 3.43Å; N721-H725 PolarHBondContact O-N 3.13Å; W723-H725 VanDerWaalsContact C-N 3.3Å; W723-H725 PolarHBondContact O-N 3.34Å; H725-C727 VanDerWaalsContact C-N 3.34Å; H725-C727 PolarHBondContact O-N 3.29Å; H725-C728 WeakPolarHBondContact O-CB 3.41Å; H725-C728 PolarHBondContact O-N 3.49Å; H725-C728 VanDerWaalsContact O-N 3.12Å; H725-V729 PolarHBondContact O-N 3.18Å; H725-Y770 AromaticContact CE1-CD1 3.69Å; H725-Y770 AromaticContact CE1-CE1 3.46Å; H725-Y770 VanDerWaalsContact CE1-CE1 3.46Å; H725-Y770 WeakPolarHBondContact CE1-CE1 3.33Å; H725-Y770 AromaticContact ND1-CE1 3.47Å; H725-Y770 WeakPolarHBondContact ND1-CE1 3.44Å; H725-N771 PolarHBondContact NE2-OD1 3.42Å; H725-F774 HydrophobicContact CB-CD2 3.9Å; H725-F774 HydrophobicContact CB-CE2 3.64Å; H725-F774 HydrophobicContact CB-CG 4.47Å; H725-F774 HydrophobicContact CB-CZ 4Å; H725-F774 AromaticContact CD2-CD1 3.47Å; H725-F774 VanDerWaalsContact CD2-CD1 3.47Å; H725-F774 WeakPolarHBondContact CD2-CD1 3.2Å; H725-F774 AromaticContact CD2-CD2 3.88Å; H725-F774 AromaticContact CD2-CE1 3.73Å; H725-F774 AromaticContact CD2-CG 3.56Å; H725-F774 WeakPolarHBondContact CE1-CB 3.48Å; H725-F774 AromaticContact CE1-CD2 3.96Å; H725-F774 AromaticContact CE1-CG 3.53Å; H725-F774 AromaticContact CG-CD1 3.97Å; H725-F774 AromaticContact CG-CD2 3.48Å; H725-F774 VanDerWaalsContact CG-CD2 3.48Å; H725-F774 AromaticContact CG-CE2 3.7Å; H725-F774 AromaticContact CG-CG 3.62Å; H725-F774 AromaticContact ND1-CD2 3.56Å; H725-F774 AromaticContact ND1-CG 3.64Å; H725-F774 AromaticContact NE2-CD1 3.56Å; H725-F774 AromaticContact NE2-CG 3.48Å; H725-F774 WeakPolarHBondContact NE2-CG 3.47Å |
| 726 | E | 96.1 | Very high | 93 | Very high | 17 Ų | 17 | 35.8 Ų | 35.8 | 8% | 0.079 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -59.3 | -44 | 174.8 | -173.8 | -161.8 | 129.2 | 0 | 0 | 112.1 | P722 W723 F724 C728 V729 R730 R787 | P722-E726 PolarHBondContact O-N 2.49Å; W723-E726 WeakPolarHBondContact O-CB 3.49Å; W723-E726 PolarHBondContact O-N 3Å; W723-E726 VanDerWaalsContact O-N 3.15Å; F724-E726 VanDerWaalsContact C-N 3.35Å; E726-C728 VanDerWaalsContact C-N 3.28Å; E726-C728 PolarHBondContact O-N 2.98Å; E726-V729 PolarHBondContact O-N 3.09Å; E726-R730 HydrophobicContact CG-CG 4.5Å; E726-R730 WeakPolarHBondContact O-CB 3.26Å; E726-R730 WeakPolarHBondContact O-CG 3.5Å; E726-R730 PolarHBondContact O-N 3.06Å; E726-R730 WeakPolarHBondContact OE1-CD 3.28Å; E726-R730 IonicContact OE1-CZ 3.31Å; E726-R730 IonicContact OE1-NH1 2.57Å; E726-R730 PolarHBondContact OE1-NH1 3.49Å; E726-R787 WeakPolarHBondContact OE2-CD 3.44Å; E726-R787 IonicContact OE2-CZ 2.63Å; E726-R787 VanDerWaalsContact OE2-CZ 3.27Å; E726-R787 IonicContact OE2-NE 3.63Å; E726-R787 IonicContact OE2-NH1 3.96Å; E726-R787 PolarHBondContact OE2-NH1 3.02Å |
| 727 | C | 96.6 | Very high | 93.6 | Very high | 1 Ų | 1 | 35.5 Ų | 35.5 | 1% | 0.007 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -57.5 | -42.4 | 174.8 | -63.9 | 0 | 0 | 0 | 0 | 111.5 | F693 W723 F724 H725 R730 F731 | F693-C727 HydrophobicContact CB-CB 4.26Å; F693-C727 HydrophobicContact CD1-CB 3.59Å; F693-C727 VanDerWaalsContact CD1-SG 3.58Å; F693-C727 HydrophobicContact CD2-CB 4.21Å; F693-C727 HydrophobicContact CE1-CB 3.94Å; F693-C727 HydrophobicContact CG-CB 3.74Å; F693-C727 HydrophobicContact CZ-CB 4.39Å; F693-C727 WeakPolarHBondContact CZ-O 3.47Å; W723-C727 PolarHBondContact O-N 3.41Å; W723-C727 PolarHBondContact O-SG 3.06Å; W723-C727 VanDerWaalsContact O-SG 3.41Å; F724-C727 WeakPolarHBondContact O-CB 3.34Å; F724-C727 PolarHBondContact O-N 2.85Å; H725-C727 VanDerWaalsContact C-N 3.34Å; H725-C727 PolarHBondContact O-N 3.29Å; C727-R730 PolarHBondContact O-N 3.2Å; C727-F731 WeakPolarHBondContact O-CB 3.41Å; C727-F731 PolarHBondContact O-N 3.34Å |
| 728 | C | 96.7 | Very high | 94.3 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -63.2 | -46.7 | 176.6 | -66.2 | 0 | 0 | 0 | 0 | 112 | F724 H725 E726 R730 F731 L732 F757 Y770 | F724-C728 PolarHBondContact O-N 3.03Å; F724-C728 PolarHBondContact O-SG 3.07Å; H725-C728 WeakPolarHBondContact O-CB 3.41Å; H725-C728 PolarHBondContact O-N 3.49Å; H725-C728 VanDerWaalsContact O-N 3.12Å; E726-C728 VanDerWaalsContact C-N 3.28Å; E726-C728 PolarHBondContact O-N 2.98Å; C728-R730 PolarHBondContact O-N 3.26Å; C728-F731 WeakPolarHBondContact O-CB 3.48Å; C728-F731 PolarHBondContact O-N 3.13Å; C728-L732 WeakPolarHBondContact O-CG 3.46Å; C728-L732 PolarHBondContact O-N 3.38Å; C728-F757 HydrophobicContact CB-CE1 4.03Å; C728-F757 HydrophobicContact CB-CZ 4.12Å; C728-Y770 HydrophobicContact CB-CE1 4.13Å |
| 729 | V | 96.7 | Very high | 94.6 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -60.5 | -47.7 | 177.3 | 171.9 | 0 | 0 | 0 | 0 | 110.8 | H725 E726 F731 L732 L733 V767 Y770 C791 I795 | H725-V729 PolarHBondContact O-N 3.18Å; E726-V729 PolarHBondContact O-N 3.09Å; V729-F731 VanDerWaalsContact C-N 3.29Å; V729-F731 PolarHBondContact O-N 3.31Å; V729-L732 PolarHBondContact O-N 3.49Å; V729-L733 HydrophobicContact CG1-CD1 4.02Å; V729-L733 HydrophobicContact CG1-CG 4.39Å; V729-L733 WeakPolarHBondContact O-CG 3.49Å; V729-L733 PolarHBondContact O-N 3.19Å; V729-V767 HydrophobicContact CG1-CG1 4.07Å; V729-Y770 HydrophobicContact CG2-CD1 4.13Å; V729-Y770 HydrophobicContact CG2-CE1 4.36Å; V729-C791 HydrophobicContact CB-CB 4.45Å; V729-C791 HydrophobicContact CG1-CB 4.05Å; V729-C791 HydrophobicContact CG2-CB 4.3Å; V729-I795 HydrophobicContact CG1-CD1 3.87Å; V729-I795 HydrophobicContact CG1-CG1 3.85Å |
| 730 | R | 96.2 | Very high | 94.9 | Very high | 6 Ų | 6 | 30.5 Ų | 30.5 | 2% | 0.023 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -59.2 | -39.9 | 176.7 | -77.8 | 164.8 | 59.6 | -170.9 | -3.9 | 112.3 | F693 E694 E697 E726 C727 C728 Q734 L794 L836 | F693-R730 HydrophobicContact CE1-CB 4.13Å; F693-R730 HydrophobicContact CZ-CB 4.11Å; E694-R730 IonicContact OE1-CZ 2.93Å; E694-R730 IonicContact OE1-NH1 2.68Å; E694-R730 PolarHBondContact OE1-NH1 3.28Å; E694-R730 IonicContact OE1-NH2 2.77Å; E694-R730 PolarHBondContact OE1-NH2 3.4Å; E694-R730 IonicContact OE2-CZ 2.62Å; E694-R730 IonicContact OE2-NH1 3.02Å; E694-R730 IonicContact OE2-NH2 2.83Å; E694-R730 PolarHBondContact OE2-NH2 3.36Å; E697-R730 IonicContact OE1-CZ 2.82Å; E697-R730 IonicContact OE1-NE 3.06Å; E697-R730 PolarHBondContact OE1-NE 3.36Å; E697-R730 IonicContact OE1-NH2 3.92Å; E697-R730 PolarHBondContact OE1-NH2 2.91Å; E697-R730 VanDerWaalsContact OE1-NH2 3.15Å; E697-R730 IonicContact OE2-CZ 2.58Å; E697-R730 IonicContact OE2-NE 3.92Å; E697-R730 IonicContact OE2-NH2 2.71Å; E697-R730 PolarHBondContact OE2-NH2 3.28Å; E726-R730 HydrophobicContact CG-CG 4.5Å; E726-R730 WeakPolarHBondContact O-CB 3.26Å; E726-R730 WeakPolarHBondContact O-CG 3.5Å; E726-R730 PolarHBondContact O-N 3.06Å; E726-R730 WeakPolarHBondContact OE1-CD 3.28Å; E726-R730 IonicContact OE1-CZ 3.31Å; E726-R730 IonicContact OE1-NH1 2.57Å; E726-R730 PolarHBondContact OE1-NH1 3.49Å; C727-R730 PolarHBondContact O-N 3.2Å; C728-R730 PolarHBondContact O-N 3.26Å; R730-Q734 WeakPolarHBondContact O-CG 3.47Å; R730-Q734 PolarHBondContact O-N 3.1Å; R730-Q734 VanDerWaalsContact O-N 3.07Å; R730-L794 HydrophobicContact CG-CD1 3.68Å; R730-L836 HydrophobicContact CG-CD1 4.23Å |
| 731 | F | 96.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -62.9 | -49 | 175.5 | -176 | -125.2 | 0 | 0 | 0 | 112 | F693 F702 M705 L706 I709 C727 C728 V729 L733 Q734 L735 L749 V753 F757 | F693-F731 HydrophobicContact CE2-CB 3.75Å; F693-F731 HydrophobicContact CE2-CD2 4.27Å; F693-F731 HydrophobicContact CE2-CG 4.3Å; F693-F731 HydrophobicContact CZ-CB 4.01Å; F702-F731 HydrophobicContact CD1-CE2 4.29Å; M705-F731 HydrophobicContact CB-CD2 4.11Å; M705-F731 HydrophobicContact CB-CE2 3.97Å; M705-F731 HydrophobicContact CE-CD2 3.85Å; M705-F731 HydrophobicContact CE-CE2 4.5Å; L706-F731 HydrophobicContact CB-CZ 3.94Å; L706-F731 HydrophobicContact CD1-CE1 4.02Å; L706-F731 HydrophobicContact CD1-CZ 4.14Å; I709-F731 HydrophobicContact CD1-CB 3.56Å; I709-F731 HydrophobicContact CD1-CD1 3.42Å; I709-F731 VanDerWaalsContact CD1-CD1 3.42Å; I709-F731 HydrophobicContact CD1-CD2 4.2Å; I709-F731 HydrophobicContact CD1-CE1 4.11Å; I709-F731 HydrophobicContact CD1-CG 3.46Å; I709-F731 VanDerWaalsContact CD1-CG 3.46Å; C727-F731 WeakPolarHBondContact O-CB 3.41Å; C727-F731 PolarHBondContact O-N 3.34Å; C728-F731 WeakPolarHBondContact O-CB 3.48Å; C728-F731 PolarHBondContact O-N 3.13Å; V729-F731 VanDerWaalsContact C-N 3.29Å; V729-F731 PolarHBondContact O-N 3.31Å; F731-L733 VanDerWaalsContact C-N 3.34Å; F731-L733 PolarHBondContact O-N 3.44Å; F731-Q734 PolarHBondContact O-N 3.08Å; F731-L735 HydrophobicContact CD1-CD1 3.97Å; F731-L735 HydrophobicContact CD2-CG 4.37Å; F731-L735 HydrophobicContact CE1-CD1 3.52Å; F731-L735 HydrophobicContact CE1-CG 4.31Å; F731-L735 HydrophobicContact CE2-CD1 4.17Å; F731-L735 HydrophobicContact CE2-CD2 4.14Å; F731-L735 HydrophobicContact CE2-CG 4.1Å; F731-L735 HydrophobicContact CG-CD1 4.49Å; F731-L735 HydrophobicContact CZ-CD1 3.64Å; F731-L735 HydrophobicContact CZ-CD2 4.17Å; F731-L735 HydrophobicContact CZ-CG 4.07Å; F731-L735 WeakPolarHBondContact O-CG 3.29Å; F731-L735 PolarHBondContact O-N 3.13Å; F731-L749 HydrophobicContact CZ-CD2 4.22Å; F731-V753 HydrophobicContact CE1-CG2 4.24Å; F731-V753 HydrophobicContact CZ-CG2 4.43Å; F731-F757 HydrophobicContact CD1-CE2 4.08Å; F731-F757 HydrophobicContact CE1-CE2 4.28Å |
| 732 | L | 96.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -61.6 | -41.8 | 179.2 | -69.2 | 174.2 | 0 | 0 | 0 | 111.7 | C728 V729 Q734 L735 H736 F757 P761 F766 V767 Y770 | C728-L732 WeakPolarHBondContact O-CG 3.46Å; C728-L732 PolarHBondContact O-N 3.38Å; V729-L732 PolarHBondContact O-N 3.49Å; L732-Q734 VanDerWaalsContact C-N 3.34Å; L732-Q734 PolarHBondContact O-N 3.21Å; L732-L735 PolarHBondContact O-N 3.02Å; L732-H736 WeakPolarHBondContact O-CB 3.47Å; L732-H736 PolarHBondContact O-N 3.33Å; L732-F757 HydrophobicContact CD1-CD1 4.01Å; L732-F757 HydrophobicContact CD1-CE1 4.14Å; L732-F757 HydrophobicContact CD2-CB 4.33Å; L732-F757 HydrophobicContact CD2-CD1 4.2Å; L732-F757 HydrophobicContact CD2-CD2 3.9Å; L732-F757 HydrophobicContact CD2-CE1 4.49Å; L732-F757 HydrophobicContact CD2-CE2 4.2Å; L732-F757 HydrophobicContact CD2-CG 3.89Å; L732-F757 HydrophobicContact CD2-CZ 4.47Å; L732-F757 HydrophobicContact CG-CD1 4.45Å; L732-F757 HydrophobicContact CG-CE1 4.41Å; L732-P761 HydrophobicContact CB-CB 4.45Å; L732-P761 HydrophobicContact CD2-CB 4.22Å; L732-P761 HydrophobicContact CD2-CG 3.97Å; L732-F766 HydrophobicContact CD1-CE1 4.14Å; L732-F766 HydrophobicContact CD2-CE1 4.19Å; L732-V767 HydrophobicContact CB-CG1 4.21Å; L732-V767 HydrophobicContact CB-CG2 3.96Å; L732-Y770 HydrophobicContact CD1-CD1 4.16Å; L732-Y770 HydrophobicContact CD1-CG 4.2Å |
| 733 | L | 96.1 | Very high | 94.6 | Very high | 18 Ų | 18 | 37.3 Ų | 37.3 | 9% | 0.094 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -60.6 | -41.1 | 174.3 | -71.5 | 173.6 | 0 | 0 | 0 | 112.2 | V729 F731 H736 N737 I764 V767 L794 I795 | V729-L733 HydrophobicContact CG1-CD1 4.02Å; V729-L733 HydrophobicContact CG1-CG 4.39Å; V729-L733 WeakPolarHBondContact O-CG 3.49Å; V729-L733 PolarHBondContact O-N 3.19Å; F731-L733 VanDerWaalsContact C-N 3.34Å; F731-L733 PolarHBondContact O-N 3.44Å; L733-H736 PolarHBondContact O-N 3.39Å; L733-N737 WeakPolarHBondContact O-CB 3.49Å; L733-N737 VanDerWaalsContact O-CG 3.24Å; L733-N737 PolarHBondContact O-N 2.87Å; L733-N737 PolarHBondContact O-ND2 3.01Å; L733-I764 HydrophobicContact CD2-CD1 3.4Å; L733-V767 HydrophobicContact CD2-CB 4.48Å; L733-V767 HydrophobicContact CD2-CG1 4.03Å; L733-V767 HydrophobicContact CG-CG1 4.12Å; L733-L794 HydrophobicContact CD1-CB 3.64Å; L733-I795 HydrophobicContact CD1-CG1 4.17Å; L733-I795 HydrophobicContact CD2-CG1 4.24Å |
| 734 | Q | 95 | Very high | 94.5 | Very high | 37 Ų | 37 | 40.7 Ų | 40.7 | 17% | 0.173 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -68.8 | -36.8 | 176.4 | -75.2 | 178.9 | 49.6 | 0 | 0 | 112.9 | E697 F702 R730 F731 L732 R738 | E697-Q734 VanDerWaalsContact CD-NE2 3.32Å; E697-Q734 PolarHBondContact OE1-NE2 2.82Å; F702-Q734 HydrophobicContact CE1-CB 4.19Å; R730-Q734 WeakPolarHBondContact O-CG 3.47Å; R730-Q734 PolarHBondContact O-N 3.1Å; R730-Q734 VanDerWaalsContact O-N 3.07Å; F731-Q734 PolarHBondContact O-N 3.08Å; L732-Q734 VanDerWaalsContact C-N 3.34Å; L732-Q734 PolarHBondContact O-N 3.21Å; Q734-R738 WeakPolarHBondContact O-CB 3.4Å; Q734-R738 PolarHBondContact O-N 2.85Å |
| 735 | L | 95.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -67.1 | -40.7 | 174.4 | -69.5 | -178.7 | 0 | 0 | 0 | 112 | F702 F731 L732 R738 G739 L749 V753 W760 P761 | F702-L735 HydrophobicContact CD1-CD2 4.02Å; F702-L735 HydrophobicContact CE1-CD2 4.35Å; F731-L735 HydrophobicContact CD1-CD1 3.97Å; F731-L735 HydrophobicContact CD2-CG 4.37Å; F731-L735 HydrophobicContact CE1-CD1 3.52Å; F731-L735 HydrophobicContact CE1-CG 4.31Å; F731-L735 HydrophobicContact CE2-CD1 4.17Å; F731-L735 HydrophobicContact CE2-CD2 4.14Å; F731-L735 HydrophobicContact CE2-CG 4.1Å; F731-L735 HydrophobicContact CG-CD1 4.49Å; F731-L735 HydrophobicContact CZ-CD1 3.64Å; F731-L735 HydrophobicContact CZ-CD2 4.17Å; F731-L735 HydrophobicContact CZ-CG 4.07Å; F731-L735 WeakPolarHBondContact O-CG 3.29Å; F731-L735 PolarHBondContact O-N 3.13Å; L732-L735 PolarHBondContact O-N 3.02Å; L735-R738 PolarHBondContact O-N 3.47Å; L735-G739 PolarHBondContact O-N 3.45Å; L735-L749 HydrophobicContact CD2-CD1 3.99Å; L735-L749 HydrophobicContact CD2-CD2 4.36Å; L735-V753 HydrophobicContact CD1-CB 4.38Å; L735-V753 HydrophobicContact CD1-CG1 3.88Å; L735-V753 HydrophobicContact CD1-CG2 3.6Å; L735-W760 HydrophobicContact CB-CH2 4.32Å; L735-W760 HydrophobicContact CB-CZ2 4.29Å; L735-W760 HydrophobicContact CD1-CZ3 4.45Å; L735-W760 HydrophobicContact CD2-CH2 3.99Å; L735-P761 HydrophobicContact CB-CG 3.74Å; L735-P761 HydrophobicContact CD1-CG 4.43Å |
| 736 | H | 94.4 | Very high | 94.2 | Very high | 57 Ų | 57 | 42.3 Ų | 42.3 | 26% | 0.264 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -57.1 | -52.3 | 173.1 | 177.4 | 66 | 0 | 0 | 0 | 110.7 | L732 L733 R738 G739 P761 E762 | L732-H736 WeakPolarHBondContact O-CB 3.47Å; L732-H736 PolarHBondContact O-N 3.33Å; L733-H736 PolarHBondContact O-N 3.39Å; H736-R738 VanDerWaalsContact C-N 3.33Å; H736-R738 PolarHBondContact O-N 3.32Å; H736-G739 PolarHBondContact O-N 3.17Å; H736-P761 WeakPolarHBondContact CA-O 3.27Å; H736-P761 HydrophobicContact CB-CB 4.44Å; H736-P761 WeakPolarHBondContact CB-O 3.44Å; H736-P761 PolarHBondContact ND1-O 2.94Å; H736-P761 VanDerWaalsContact ND1-O 3.09Å; H736-E762 PolarHBondContact CE1-O 2.99Å; H736-E762 PolarHBondContact ND1-O 3.38Å |
| 737 | N | 92.3 | Very high | 94.1 | Very high | 130 Ų | 130 | 47.8 Ų | 47.8 | 70% | 0.695 | 25% | 0.25 | S | C | * | . | H | α-helix | trans | -65.4 | -32.7 | 179.3 | -69.9 | -24.5 | 0 | 0 | 0 | 113.5 | L733 | L733-N737 WeakPolarHBondContact O-CB 3.49Å; L733-N737 VanDerWaalsContact O-CG 3.24Å; L733-N737 PolarHBondContact O-N 2.87Å; L733-N737 PolarHBondContact O-ND2 3.01Å |
| 738 | R | 91.6 | Very high | 94 | Very high | 68 Ų | 68 | 50.4 Ų | 50.4 | 26% | 0.257 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -73.5 | -34.8 | 177.4 | -178.6 | -177.5 | 175.4 | -81.3 | 3.5 | 112.1 | Q734 L735 H736 D743 | Q734-R738 WeakPolarHBondContact O-CB 3.4Å; Q734-R738 PolarHBondContact O-N 2.85Å; L735-R738 PolarHBondContact O-N 3.47Å; H736-R738 VanDerWaalsContact C-N 3.33Å; H736-R738 PolarHBondContact O-N 3.32Å; R738-D743 IonicContact NH2-OD1 2.89Å; R738-D743 PolarHBondContact NH2-OD1 2.96Å; R738-D743 IonicContact NH2-OD2 3.88Å; R738-D743 PolarHBondContact NH2-OD2 3.25Å |
| 739 | G | 91.1 | Very high | 94 | Very high | 23 Ų | 23 | 50.4 Ų | 50.4 | 24% | 0.237 | 27% | 0.265 | C | S | . | . | trans | 67.6 | 176.7 | -169.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | L735 H736 | L735-G739 PolarHBondContact O-N 3.45Å; H736-G739 PolarHBondContact O-N 3.17Å | ||
| 740 | K | 91.4 | Very high | 93.9 | Very high | 112 Ų | 112 | 52.6 Ų | 52.6 | 49% | 0.487 | 28% | 0.279 | S | S | . | . | trans | -71.7 | 143.2 | 172.3 | -68.5 | 174.8 | 177.6 | 136 | 0 | 109.7 | T750 W760 E762 | K740-T750 HydrophobicContact CD-CG2 4.22Å; K740-T750 HydrophobicContact CG-CG2 4.45Å; K740-W760 HydrophobicContact CG-CD2 4.08Å; K740-W760 HydrophobicContact CG-CG 4.39Å; K740-W760 HydrophobicContact CG-CZ2 3.99Å; K740-E762 WeakPolarHBondContact CE-OE2 3.46Å; K740-E762 IonicContact NZ-OE2 3.75Å; K740-E762 PolarHBondContact NZ-OE2 3.46Å | ||
| 741 | S | 90.1 | Very high | 93.8 | Very high | 44 Ų | 44 | 55.1 Ų | 55.1 | 31% | 0.308 | 30% | 0.297 | S | S | . | . | trans | -141.4 | 146.1 | 179.8 | 166.4 | 0 | 0 | 0 | 0 | 109.5 | D743 G746 | S741-D743 VanDerWaalsContact C-N 3.28Å; S741-D743 VanDerWaalsContact CB-OD1 3.22Å; S741-D743 WeakPolarHBondContact CB-OD1 3.41Å; S741-D743 PolarHBondContact O-N 3.14Å; S741-D743 VanDerWaalsContact OG-CG 3.24Å; S741-D743 PolarHBondContact OG-N 3.36Å; S741-D743 PolarHBondContact OG-OD1 3.22Å; S741-G746 CarbonylContact O-C 3.25Å; S741-G746 WeakPolarHBondContact O-CA 3.47Å | ||
| 742 | D | 89.7 | Confident | 93.7 | Very high | 144 Ų | 144 | 58.6 Ų | 58.6 | 77% | 0.77 | 31% | 0.314 | S | S | * | . | S | Bend | trans | -84.4 | 0.1 | -177.5 | -70.3 | -36.2 | 0 | 0 | 0 | 113.9 | K747 | D742-K747 WeakPolarHBondContact O-CE 3.47Å; D742-K747 PolarHBondContact O-NZ 3.13Å |
| 743 | D | 93.9 | Very high | 93.7 | Very high | 67 Ų | 67 | 58.6 Ų | 58.6 | 36% | 0.358 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -64.1 | 160.6 | 172.6 | 69.7 | -31.3 | 0 | 0 | 0 | 111.9 | R738 S741 V745 G746 K747 | R738-D743 IonicContact NH2-OD1 2.89Å; R738-D743 PolarHBondContact NH2-OD1 2.96Å; R738-D743 IonicContact NH2-OD2 3.88Å; R738-D743 PolarHBondContact NH2-OD2 3.25Å; S741-D743 VanDerWaalsContact C-N 3.28Å; S741-D743 VanDerWaalsContact CB-OD1 3.22Å; S741-D743 WeakPolarHBondContact CB-OD1 3.41Å; S741-D743 PolarHBondContact O-N 3.14Å; S741-D743 VanDerWaalsContact OG-CG 3.24Å; S741-D743 PolarHBondContact OG-N 3.36Å; S741-D743 PolarHBondContact OG-OD1 3.22Å; D743-V745 PolarHBondContact O-N 3.04Å; D743-G746 PolarHBondContact O-N 3.36Å; D743-G746 WeakPolarHBondContact OD1-CA 3.23Å; D743-G746 PolarHBondContact OD1-N 3.25Å; D743-K747 PolarHBondContact O-N 3.33Å |
| 744 | V | 93.7 | Very high | 93.6 | Very high | 118 Ų | 118 | 59.6 Ų | 59.6 | 72% | 0.715 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -54.8 | -41.1 | -178.7 | -180 | 0 | 0 | 0 | 0 | 111 | V748 | V744-V748 WeakPolarHBondContact O-CG2 3.17Å; V744-V748 PolarHBondContact O-N 2.98Å |
| 745 | V | 93.9 | Very high | 93.5 | Very high | 47 Ų | 47 | 64.7 Ų | 64.7 | 29% | 0.285 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -64.8 | -48.9 | 176.5 | 173.7 | 0 | 0 | 0 | 0 | 111 | F702 L703 D743 K747 V748 L749 | F702-V745 HydrophobicContact CB-CG1 4.24Å; L703-V745 HydrophobicContact CD1-CG2 4.09Å; L703-V745 HydrophobicContact CD2-CG1 4.03Å; L703-V745 HydrophobicContact CG-CB 4.5Å; L703-V745 HydrophobicContact CG-CG1 3.98Å; L703-V745 HydrophobicContact CG-CG2 4.3Å; D743-V745 PolarHBondContact O-N 3.04Å; V745-K747 PolarHBondContact O-N 2.82Å; V745-V748 PolarHBondContact O-N 3.06Å; V745-L749 HydrophobicContact CG1-CD1 3.81Å; V745-L749 HydrophobicContact CG1-CG 4.3Å; V745-L749 VanDerWaalsContact O-CG 3.29Å; V745-L749 WeakPolarHBondContact O-CG 3.46Å; V745-L749 PolarHBondContact O-N 3.21Å |
| 746 | G | 93.5 | Very high | 93.4 | Very high | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -60.1 | -42.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | S741 D743 V748 L749 T750 | S741-G746 CarbonylContact O-C 3.25Å; S741-G746 WeakPolarHBondContact O-CA 3.47Å; D743-G746 PolarHBondContact O-N 3.36Å; D743-G746 WeakPolarHBondContact OD1-CA 3.23Å; D743-G746 PolarHBondContact OD1-N 3.25Å; G746-V748 PolarHBondContact O-N 3.16Å; G746-L749 PolarHBondContact O-N 3.12Å; G746-T750 WeakPolarHBondContact O-CB 3.4Å; G746-T750 PolarHBondContact O-N 2.88Å; G746-T750 PolarHBondContact O-OG1 3.42Å |
| 747 | K | 94.4 | Very high | 93.3 | Very high | 131 Ų | 131 | 64.8 Ų | 64.8 | 57% | 0.57 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -58.1 | -46.9 | 175.7 | -74.7 | 174.3 | 174.9 | 162.8 | 0 | 112.5 | D742 D743 V745 T750 S751 | D742-K747 WeakPolarHBondContact O-CE 3.47Å; D742-K747 PolarHBondContact O-NZ 3.13Å; D743-K747 PolarHBondContact O-N 3.33Å; V745-K747 PolarHBondContact O-N 2.82Å; K747-T750 PolarHBondContact O-N 3.17Å; K747-S751 WeakPolarHBondContact O-CB 3.26Å; K747-S751 PolarHBondContact O-N 3.07Å; K747-S751 VanDerWaalsContact O-N 3.07Å; K747-S751 PolarHBondContact O-OG 3.23Å |
| 748 | V | 95.4 | Very high | 93.2 | Very high | 56 Ų | 56 | 63.3 Ų | 63.3 | 34% | 0.339 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -63.4 | -47.4 | 177.3 | 175.4 | 0 | 0 | 0 | 0 | 110.1 | L703 V744 V745 G746 T750 S751 E752 | L703-V748 HydrophobicContact CD2-CB 3.88Å; L703-V748 HydrophobicContact CD2-CG1 3.72Å; V744-V748 WeakPolarHBondContact O-CG2 3.17Å; V744-V748 PolarHBondContact O-N 2.98Å; V745-V748 PolarHBondContact O-N 3.06Å; G746-V748 PolarHBondContact O-N 3.16Å; V748-T750 PolarHBondContact O-N 3.43Å; V748-S751 PolarHBondContact O-N 3.2Å; V748-S751 VanDerWaalsContact O-N 3.16Å; V748-S751 PolarHBondContact O-OG 2.95Å; V748-E752 HydrophobicContact CG1-CG 4.14Å; V748-E752 WeakPolarHBondContact O-CB 3.49Å; V748-E752 WeakPolarHBondContact O-CG 3.39Å; V748-E752 PolarHBondContact O-N 3.43Å |
| 749 | L | 96 | Very high | 93.1 | Very high | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -57.7 | -48.9 | 177.7 | -68.4 | 171 | 0 | 0 | 0 | 111.8 | F702 L703 L706 F731 L735 V745 G746 S751 E752 V753 W760 | F702-L749 HydrophobicContact CB-CD1 3.83Å; F702-L749 HydrophobicContact CB-CD2 4.2Å; F702-L749 HydrophobicContact CD1-CD1 4.46Å; F702-L749 HydrophobicContact CG-CD1 4.26Å; L703-L749 HydrophobicContact CD2-CD2 4.16Å; L703-L749 HydrophobicContact CD2-CG 4.14Å; L706-L749 HydrophobicContact CB-CD2 4.22Å; L706-L749 HydrophobicContact CD2-CD2 3.93Å; F731-L749 HydrophobicContact CZ-CD2 4.22Å; L735-L749 HydrophobicContact CD2-CD1 3.99Å; L735-L749 HydrophobicContact CD2-CD2 4.36Å; V745-L749 HydrophobicContact CG1-CD1 3.81Å; V745-L749 HydrophobicContact CG1-CG 4.3Å; V745-L749 VanDerWaalsContact O-CG 3.29Å; V745-L749 WeakPolarHBondContact O-CG 3.46Å; V745-L749 PolarHBondContact O-N 3.21Å; G746-L749 PolarHBondContact O-N 3.12Å; L749-S751 PolarHBondContact O-N 3.42Å; L749-E752 PolarHBondContact O-N 3.1Å; L749-V753 HydrophobicContact CB-CG2 4.39Å; L749-V753 HydrophobicContact CD2-CG2 4.38Å; L749-V753 WeakPolarHBondContact O-CB 3.41Å; L749-V753 WeakPolarHBondContact O-CG2 3.35Å; L749-V753 PolarHBondContact O-N 3.27Å; L749-W760 HydrophobicContact CB-CH2 4.23Å; L749-W760 HydrophobicContact CB-CZ3 3.98Å |
| 750 | T | 94.4 | Very high | 93.2 | Very high | 47 Ų | 47 | 64.6 Ų | 64.6 | 29% | 0.288 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -62.8 | -29.5 | 179.7 | -58.5 | 0 | 0 | 0 | 0 | 112.3 | K740 G746 K747 V748 P754 | K740-T750 HydrophobicContact CD-CG2 4.22Å; K740-T750 HydrophobicContact CG-CG2 4.45Å; G746-T750 WeakPolarHBondContact O-CB 3.4Å; G746-T750 PolarHBondContact O-N 2.88Å; G746-T750 PolarHBondContact O-OG1 3.42Å; K747-T750 PolarHBondContact O-N 3.17Å; V748-T750 PolarHBondContact O-N 3.43Å; T750-P754 VanDerWaalsContact O-CD 3.27Å; T750-P754 WeakPolarHBondContact O-CD 3.46Å; T750-P754 WeakPolarHBondContact O-CG 3.49Å |
| 751 | S | 93.9 | Very high | 93.2 | Very high | 58 Ų | 58 | 59.2 Ų | 59.2 | 41% | 0.406 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -81 | -35.7 | 176.6 | 70.1 | 0 | 0 | 0 | 0 | 114.5 | K747 V748 L749 K755 | K747-S751 WeakPolarHBondContact O-CB 3.26Å; K747-S751 PolarHBondContact O-N 3.07Å; K747-S751 VanDerWaalsContact O-N 3.07Å; K747-S751 PolarHBondContact O-OG 3.23Å; V748-S751 PolarHBondContact O-N 3.2Å; V748-S751 VanDerWaalsContact O-N 3.16Å; V748-S751 PolarHBondContact O-OG 2.95Å; L749-S751 PolarHBondContact O-N 3.42Å; S751-K755 WeakPolarHBondContact O-CE 3.34Å |
| 752 | E | 95.1 | Very high | 93.2 | Very high | 73 Ų | 73 | 62.1 Ų | 62.1 | 34% | 0.341 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -99.5 | -31.9 | -170.2 | -65.3 | -55.5 | 139.2 | 0 | 0 | 113.4 | L706 V748 L749 K755 | L706-E752 HydrophobicContact CD2-CB 3.72Å; L706-E752 HydrophobicContact CD2-CG 4.46Å; V748-E752 HydrophobicContact CG1-CG 4.14Å; V748-E752 WeakPolarHBondContact O-CB 3.49Å; V748-E752 WeakPolarHBondContact O-CG 3.39Å; V748-E752 PolarHBondContact O-N 3.43Å; L749-E752 PolarHBondContact O-N 3.1Å; E752-K755 WeakPolarHBondContact O-CB 3.45Å; E752-K755 PolarHBondContact O-N 3.34Å; E752-K755 VanDerWaalsContact O-N 3.1Å; E752-K755 IonicContact OE1-NZ 3.61Å; E752-K755 PolarHBondContact OE1-NZ 3.48Å; E752-K755 WeakPolarHBondContact OE2-CD 3.37Å; E752-K755 IonicContact OE2-NZ 3.73Å; E752-K755 PolarHBondContact OE2-NZ 3.36Å |
| 753 | V | 95.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -59.1 | -46.5 | -179.2 | 168.9 | 0 | 0 | 0 | 0 | 112.2 | L706 F731 L735 L749 K755 L756 F757 W760 | L706-V753 HydrophobicContact CD1-CG2 4.04Å; F731-V753 HydrophobicContact CE1-CG2 4.24Å; F731-V753 HydrophobicContact CZ-CG2 4.43Å; L735-V753 HydrophobicContact CD1-CB 4.38Å; L735-V753 HydrophobicContact CD1-CG1 3.88Å; L735-V753 HydrophobicContact CD1-CG2 3.6Å; L749-V753 HydrophobicContact CB-CG2 4.39Å; L749-V753 HydrophobicContact CD2-CG2 4.38Å; L749-V753 WeakPolarHBondContact O-CB 3.41Å; L749-V753 WeakPolarHBondContact O-CG2 3.35Å; L749-V753 PolarHBondContact O-N 3.27Å; V753-K755 PolarHBondContact O-N 2.87Å; V753-L756 PolarHBondContact O-N 3.33Å; V753-F757 HydrophobicContact CG1-CD2 4.16Å; V753-F757 PolarHBondContact O-N 3.25Å; V753-W760 HydrophobicContact CB-CE3 4.11Å; V753-W760 HydrophobicContact CB-CZ3 4.21Å; V753-W760 HydrophobicContact CG1-CE3 4.16Å; V753-W760 HydrophobicContact CG2-CZ3 4.15Å |
| 754 | P | 94.4 | Very high | 93.1 | Very high | 40 Ų | 40 | 59.9 Ų | 59.9 | 26% | 0.26 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -61.6 | -24.4 | 176.9 | -25.1 | 36.6 | 0 | 0 | 0 | 113.9 | T750 L756 S758 | T750-P754 VanDerWaalsContact O-CD 3.27Å; T750-P754 WeakPolarHBondContact O-CD 3.46Å; T750-P754 WeakPolarHBondContact O-CG 3.49Å; P754-L756 VanDerWaalsContact C-N 3.29Å; P754-L756 PolarHBondContact O-N 2.94Å; P754-S758 CarbonylContact O-C 3.44Å; P754-S758 WeakPolarHBondContact O-CA 3.43Å; P754-S758 PolarHBondContact O-N 3.29Å |
| 755 | K | 93.9 | Very high | 93.1 | Very high | 143 Ų | 143 | 57.2 Ų | 57.2 | 62% | 0.622 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -71.6 | -27.4 | 176.4 | -57.7 | 179.7 | -169.5 | 165 | 0 | 112.4 | S751 E752 V753 | S751-K755 WeakPolarHBondContact O-CE 3.34Å; E752-K755 WeakPolarHBondContact O-CB 3.45Å; E752-K755 PolarHBondContact O-N 3.34Å; E752-K755 VanDerWaalsContact O-N 3.1Å; E752-K755 IonicContact OE1-NZ 3.61Å; E752-K755 PolarHBondContact OE1-NZ 3.48Å; E752-K755 WeakPolarHBondContact OE2-CD 3.37Å; E752-K755 IonicContact OE2-NZ 3.73Å; E752-K755 PolarHBondContact OE2-NZ 3.36Å; V753-K755 PolarHBondContact O-N 2.87Å |
| 756 | L | 92.4 | Very high | 93 | Very high | 48 Ų | 48 | 55.8 Ų | 55.8 | 25% | 0.251 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -92.2 | -42.2 | 179.8 | -65.2 | 174.8 | 0 | 0 | 0 | 112.2 | L706 V753 P754 | L706-L756 HydrophobicContact CD1-CD1 3.49Å; L706-L756 VanDerWaalsContact CD1-CD1 3.49Å; V753-L756 PolarHBondContact O-N 3.33Å; P754-L756 VanDerWaalsContact C-N 3.29Å; P754-L756 PolarHBondContact O-N 2.94Å |
| 757 | F | 92.5 | Very high | 93.1 | Very high | 12 Ų | 12 | 55.8 Ų | 55.8 | 5% | 0.053 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -111.8 | 13.3 | -172.1 | -64.3 | -77.2 | 0 | 0 | 0 | 113.3 | I709 C728 F731 L732 V753 E759 F766 Y770 | I709-F757 HydrophobicContact CG2-CE2 4.01Å; I709-F757 HydrophobicContact CG2-CZ 3.73Å; C728-F757 HydrophobicContact CB-CE1 4.03Å; C728-F757 HydrophobicContact CB-CZ 4.12Å; F731-F757 HydrophobicContact CD1-CE2 4.08Å; F731-F757 HydrophobicContact CE1-CE2 4.28Å; L732-F757 HydrophobicContact CD1-CD1 4.01Å; L732-F757 HydrophobicContact CD1-CE1 4.14Å; L732-F757 HydrophobicContact CD2-CB 4.33Å; L732-F757 HydrophobicContact CD2-CD1 4.2Å; L732-F757 HydrophobicContact CD2-CD2 3.9Å; L732-F757 HydrophobicContact CD2-CE1 4.49Å; L732-F757 HydrophobicContact CD2-CE2 4.2Å; L732-F757 HydrophobicContact CD2-CG 3.89Å; L732-F757 HydrophobicContact CD2-CZ 4.47Å; L732-F757 HydrophobicContact CG-CD1 4.45Å; L732-F757 HydrophobicContact CG-CE1 4.41Å; V753-F757 HydrophobicContact CG1-CD2 4.16Å; V753-F757 PolarHBondContact O-N 3.25Å; F757-E759 PolarHBondContact O-N 2.89Å; F757-F766 HydrophobicContact CB-CE1 4.44Å; F757-F766 HydrophobicContact CB-CZ 4.11Å; F757-F766 WeakPolarHBondContact O-CZ 3.5Å; F757-Y770 HydrophobicContact CD1-CD2 4.45Å; F757-Y770 AromaticContact CD1-CE2 3.86Å; F757-Y770 HydrophobicContact CD1-CE2 3.86Å; F757-Y770 HydrophobicContact CE1-CE2 4.11Å; F757-Y770 AromaticContact CE1-CZ 3.96Å |
| 758 | S | 89.4 | Confident | 93.1 | Very high | 99 Ų | 99 | 52.7 Ų | 52.7 | 69% | 0.692 | 28% | 0.283 | S | S | * | . | S | Bend | trans | 70.3 | -38.6 | -174.7 | 72.8 | 0 | 0 | 0 | 0 | 116.1 | P754 | P754-S758 CarbonylContact O-C 3.44Å; P754-S758 WeakPolarHBondContact O-CA 3.43Å; P754-S758 PolarHBondContact O-N 3.29Å |
| 759 | E | 90.6 | Very high | 93.1 | Very high | 100 Ų | 100 | 55.3 Ų | 55.3 | 47% | 0.467 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -144.1 | 172.8 | 178.3 | 59.1 | 179.2 | -153.8 | 0 | 0 | 112.9 | F757 F766 | F757-E759 PolarHBondContact O-N 2.89Å; E759-F766 HydrophobicContact CG-CD2 3.58Å; E759-F766 HydrophobicContact CG-CE2 3.43Å; E759-F766 VanDerWaalsContact CG-CE2 3.43Å; E759-F766 HydrophobicContact CG-CG 4.2Å; E759-F766 HydrophobicContact CG-CZ 3.96Å; E759-F766 WeakPolarHBondContact OE1-CD2 3.26Å; E759-F766 WeakPolarHBondContact OE1-CG 2.93Å |
| 760 | W | 92 | Very high | 93.1 | Very high | 17 Ų | 17 | 58.3 Ų | 58.3 | 6% | 0.064 | 30% | 0.304 | C | S | . | . | trans | -81.1 | 136.4 | 171.7 | 180 | -91.7 | 0 | 0 | 0 | 109 | L735 K740 L749 V753 E762 | L735-W760 HydrophobicContact CB-CH2 4.32Å; L735-W760 HydrophobicContact CB-CZ2 4.29Å; L735-W760 HydrophobicContact CD1-CZ3 4.45Å; L735-W760 HydrophobicContact CD2-CH2 3.99Å; K740-W760 HydrophobicContact CG-CD2 4.08Å; K740-W760 HydrophobicContact CG-CG 4.39Å; K740-W760 HydrophobicContact CG-CZ2 3.99Å; L749-W760 HydrophobicContact CB-CH2 4.23Å; L749-W760 HydrophobicContact CB-CZ3 3.98Å; V753-W760 HydrophobicContact CB-CE3 4.11Å; V753-W760 HydrophobicContact CB-CZ3 4.21Å; V753-W760 HydrophobicContact CG1-CE3 4.16Å; V753-W760 HydrophobicContact CG2-CZ3 4.15Å; W760-E762 VanDerWaalsContact CD1-OE2 3.24Å; W760-E762 PolarHBondContact O-N 3.09Å | ||
| 761 | P | 92.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 29% | 0.29 | C | S | . | . | trans | -72.5 | 66.3 | 179.4 | 31.8 | -36.9 | 0 | 0 | 0 | 111.7 | L732 L735 H736 F766 V767 | L732-P761 HydrophobicContact CB-CB 4.45Å; L732-P761 HydrophobicContact CD2-CB 4.22Å; L732-P761 HydrophobicContact CD2-CG 3.97Å; L735-P761 HydrophobicContact CB-CG 3.74Å; L735-P761 HydrophobicContact CD1-CG 4.43Å; H736-P761 WeakPolarHBondContact CA-O 3.27Å; H736-P761 HydrophobicContact CB-CB 4.44Å; H736-P761 WeakPolarHBondContact CB-O 3.44Å; H736-P761 PolarHBondContact ND1-O 2.94Å; H736-P761 VanDerWaalsContact ND1-O 3.09Å; P761-F766 HydrophobicContact CB-CD1 3.86Å; P761-F766 HydrophobicContact CB-CE1 4.32Å; P761-V767 HydrophobicContact CB-CG2 4.15Å | ||
| 762 | E | 89.7 | Confident | 93.3 | Very high | 104 Ų | 104 | 58.5 Ų | 58.5 | 49% | 0.486 | 30% | 0.295 | S | S | . | . | trans | -70.1 | -44.6 | 179.1 | -160.6 | 80.7 | -152.9 | 0 | 0 | 110.4 | H736 K740 W760 | H736-E762 PolarHBondContact CE1-O 2.99Å; H736-E762 PolarHBondContact ND1-O 3.38Å; K740-E762 WeakPolarHBondContact CE-OE2 3.46Å; K740-E762 IonicContact NZ-OE2 3.75Å; K740-E762 PolarHBondContact NZ-OE2 3.46Å; W760-E762 VanDerWaalsContact CD1-OE2 3.24Å; W760-E762 PolarHBondContact O-N 3.09Å | ||
| 763 | N | 90.7 | Very high | 93.3 | Very high | 108 Ų | 108 | 58.7 Ų | 58.7 | 58% | 0.578 | 30% | 0.297 | S | S | * | . | S | Bend | trans | -105.3 | 140.8 | 177.2 | -66.8 | -41.6 | 0 | 0 | 0 | 110.7 | S765 F766 | N763-S765 WeakPolarHBondContact CB-OG 3.32Å; N763-S765 PolarHBondContact O-N 3.48Å; N763-F766 WeakPolarHBondContact O-CB 3.44Å; N763-F766 PolarHBondContact O-N 3.33Å; N763-F766 VanDerWaalsContact O-N 3.13Å |
| 764 | I | 92 | Very high | 93.3 | Very high | 56 Ų | 56 | 58.7 Ų | 58.7 | 29% | 0.287 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -60 | -26.9 | 175.1 | -166.7 | 62.5 | 0 | 0 | 0 | 112.7 | L733 F766 V767 Q768 I795 | L733-I764 HydrophobicContact CD2-CD1 3.4Å; I764-F766 PolarHBondContact O-N 2.83Å; I764-V767 HydrophobicContact CD1-CB 4.43Å; I764-V767 HydrophobicContact CD1-CG2 4.49Å; I764-V767 PolarHBondContact O-N 2.9Å; I764-Q768 PolarHBondContact O-N 3.02Å; I764-I795 HydrophobicContact CD1-CG2 4.21Å; I764-I795 HydrophobicContact CG1-CG2 4.19Å |
| 765 | S | 92.2 | Very high | 93.3 | Very high | 62 Ų | 62 | 58.7 Ų | 58.7 | 43% | 0.434 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -58.4 | -32.6 | 176.7 | 60 | 0 | 0 | 0 | 0 | 113 | N763 V767 Q768 E769 | N763-S765 WeakPolarHBondContact CB-OG 3.32Å; N763-S765 PolarHBondContact O-N 3.48Å; S765-V767 VanDerWaalsContact C-N 3.34Å; S765-Q768 WeakPolarHBondContact O-CB 3.13Å; S765-Q768 PolarHBondContact O-N 3.14Å; S765-E769 WeakPolarHBondContact O-CB 3.02Å; S765-E769 PolarHBondContact O-N 3.31Å |
| 766 | F | 93.2 | Very high | 93.4 | Very high | 18 Ų | 18 | 58.8 Ų | 58.8 | 8% | 0.079 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -64 | -40.9 | 175.4 | 171.1 | -102.8 | 0 | 0 | 0 | 111.5 | L732 F757 E759 P761 N763 I764 E769 Y770 | L732-F766 HydrophobicContact CD1-CE1 4.14Å; L732-F766 HydrophobicContact CD2-CE1 4.19Å; F757-F766 HydrophobicContact CB-CE1 4.44Å; F757-F766 HydrophobicContact CB-CZ 4.11Å; F757-F766 WeakPolarHBondContact O-CZ 3.5Å; E759-F766 HydrophobicContact CG-CD2 3.58Å; E759-F766 HydrophobicContact CG-CE2 3.43Å; E759-F766 VanDerWaalsContact CG-CE2 3.43Å; E759-F766 HydrophobicContact CG-CG 4.2Å; E759-F766 HydrophobicContact CG-CZ 3.96Å; E759-F766 WeakPolarHBondContact OE1-CD2 3.26Å; E759-F766 WeakPolarHBondContact OE1-CG 2.93Å; P761-F766 HydrophobicContact CB-CD1 3.86Å; P761-F766 HydrophobicContact CB-CE1 4.32Å; N763-F766 WeakPolarHBondContact O-CB 3.44Å; N763-F766 PolarHBondContact O-N 3.33Å; N763-F766 VanDerWaalsContact O-N 3.13Å; I764-F766 PolarHBondContact O-N 2.83Å; F766-E769 PolarHBondContact O-N 2.97Å; F766-Y770 WeakPolarHBondContact O-CB 3.4Å; F766-Y770 PolarHBondContact O-N 3.35Å |
| 767 | V | 94.7 | Very high | 93.5 | Very high | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -70.3 | -36.1 | 177.7 | -168.9 | 0 | 0 | 0 | 0 | 110.9 | V729 L732 L733 P761 I764 S765 Y770 N771 I795 | V729-V767 HydrophobicContact CG1-CG1 4.07Å; L732-V767 HydrophobicContact CB-CG1 4.21Å; L732-V767 HydrophobicContact CB-CG2 3.96Å; L733-V767 HydrophobicContact CD2-CB 4.48Å; L733-V767 HydrophobicContact CD2-CG1 4.03Å; L733-V767 HydrophobicContact CG-CG1 4.12Å; P761-V767 HydrophobicContact CB-CG2 4.15Å; I764-V767 HydrophobicContact CD1-CB 4.43Å; I764-V767 HydrophobicContact CD1-CG2 4.49Å; I764-V767 PolarHBondContact O-N 2.9Å; S765-V767 VanDerWaalsContact C-N 3.34Å; V767-Y770 PolarHBondContact O-N 3.22Å; V767-N771 PolarHBondContact O-N 2.96Å; V767-N771 VanDerWaalsContact O-N 3.13Å; V767-I795 HydrophobicContact CG1-CD1 4.08Å; V767-I795 HydrophobicContact CG1-CG1 3.99Å |
| 768 | Q | 95.3 | Very high | 93.5 | Very high | 65 Ų | 65 | 60.6 Ų | 60.6 | 30% | 0.304 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -59.8 | -52.8 | 172.7 | -70.9 | 172.9 | -24.5 | 0 | 0 | 111.1 | I764 S765 Y770 N771 E772 I795 | I764-Q768 PolarHBondContact O-N 3.02Å; S765-Q768 WeakPolarHBondContact O-CB 3.13Å; S765-Q768 PolarHBondContact O-N 3.14Å; Q768-Y770 VanDerWaalsContact C-N 3.32Å; Q768-Y770 PolarHBondContact O-N 3.41Å; Q768-N771 PolarHBondContact O-N 3.24Å; Q768-N771 VanDerWaalsContact O-N 3.08Å; Q768-E772 WeakPolarHBondContact O-CG 3.37Å; Q768-E772 PolarHBondContact O-N 2.82Å; Q768-I795 HydrophobicContact CB-CG2 4.4Å; Q768-I795 HydrophobicContact CG-CG2 3.28Å |
| 769 | E | 95.2 | Very high | 93.7 | Very high | 111 Ų | 111 | 61.9 Ų | 61.9 | 52% | 0.519 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -59.2 | -42.7 | 178.6 | -175.5 | 178.3 | -179.3 | 0 | 0 | 111.5 | S765 F766 N771 E772 I773 | S765-E769 WeakPolarHBondContact O-CB 3.02Å; S765-E769 PolarHBondContact O-N 3.31Å; F766-E769 PolarHBondContact O-N 2.97Å; E769-N771 VanDerWaalsContact C-N 3.28Å; E769-N771 PolarHBondContact O-N 2.91Å; E769-E772 PolarHBondContact O-N 2.9Å; E769-I773 HydrophobicContact CG-CD1 3.94Å; E769-I773 HydrophobicContact CG-CG1 4.41Å; E769-I773 WeakPolarHBondContact O-CB 3.41Å; E769-I773 VanDerWaalsContact O-CG1 3.26Å; E769-I773 WeakPolarHBondContact O-CG1 3.44Å; E769-I773 PolarHBondContact O-N 3.33Å |
| 770 | Y | 94.8 | Very high | 93.9 | Very high | 64 Ų | 64 | 60 Ų | 60 | 25% | 0.251 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -57 | -41.1 | 175.5 | -175 | -93.1 | 0 | 0 | 0 | 112.4 | H725 C728 V729 L732 F757 F766 V767 Q768 F774 | H725-Y770 AromaticContact CE1-CD1 3.69Å; H725-Y770 AromaticContact CE1-CE1 3.46Å; H725-Y770 VanDerWaalsContact CE1-CE1 3.46Å; H725-Y770 WeakPolarHBondContact CE1-CE1 3.33Å; H725-Y770 AromaticContact ND1-CE1 3.47Å; H725-Y770 WeakPolarHBondContact ND1-CE1 3.44Å; C728-Y770 HydrophobicContact CB-CE1 4.13Å; V729-Y770 HydrophobicContact CG2-CD1 4.13Å; V729-Y770 HydrophobicContact CG2-CE1 4.36Å; L732-Y770 HydrophobicContact CD1-CD1 4.16Å; L732-Y770 HydrophobicContact CD1-CG 4.2Å; F757-Y770 HydrophobicContact CD1-CD2 4.45Å; F757-Y770 AromaticContact CD1-CE2 3.86Å; F757-Y770 HydrophobicContact CD1-CE2 3.86Å; F757-Y770 HydrophobicContact CE1-CE2 4.11Å; F757-Y770 AromaticContact CE1-CZ 3.96Å; F766-Y770 WeakPolarHBondContact O-CB 3.4Å; F766-Y770 PolarHBondContact O-N 3.35Å; V767-Y770 PolarHBondContact O-N 3.22Å; Q768-Y770 VanDerWaalsContact C-N 3.32Å; Q768-Y770 PolarHBondContact O-N 3.41Å; Y770-F774 PolarHBondContact O-N 3Å |
| 771 | N | 96.3 | Very high | 94 | Very high | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -73.9 | -37.4 | 177.4 | -164.9 | 40 | 0 | 0 | 0 | 112.8 | H725 V767 Q768 E769 F774 N775 Y788 C791 Q792 I795 | H725-N771 PolarHBondContact NE2-OD1 3.42Å; V767-N771 PolarHBondContact O-N 2.96Å; V767-N771 VanDerWaalsContact O-N 3.13Å; Q768-N771 PolarHBondContact O-N 3.24Å; Q768-N771 VanDerWaalsContact O-N 3.08Å; E769-N771 VanDerWaalsContact C-N 3.28Å; E769-N771 PolarHBondContact O-N 2.91Å; N771-F774 WeakPolarHBondContact O-CB 3.36Å; N771-F774 PolarHBondContact O-N 3.29Å; N771-N775 PolarHBondContact O-N 2.89Å; N771-N775 VanDerWaalsContact O-N 3.1Å; N771-Y788 WeakPolarHBondContact ND2-CD2 3.2Å; N771-Y788 WeakPolarHBondContact ND2-CE2 3.31Å; N771-Y788 PolarHBondContact ND2-O 3.38Å; N771-Y788 WeakPolarHBondContact O-CD2 3.41Å; N771-Y788 WeakPolarHBondContact OD1-CD2 3.4Å; N771-C791 WeakPolarHBondContact ND2-CB 3.3Å; N771-C791 WeakPolarHBondContact OD1-CB 3.39Å; N771-Q792 PolarHBondContact ND2-NE2 3.48Å; N771-I795 HydrophobicContact CB-CD1 3.61Å |
| 772 | E | 96.5 | Very high | 94.2 | Very high | 109 Ų | 109 | 60.5 Ų | 60.5 | 51% | 0.509 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -63.7 | -42.8 | 175.6 | -73.8 | 177.2 | -179.6 | 0 | 0 | 112.2 | Q768 E769 F774 N775 H776 | Q768-E772 WeakPolarHBondContact O-CG 3.37Å; Q768-E772 PolarHBondContact O-N 2.82Å; E769-E772 PolarHBondContact O-N 2.9Å; E772-F774 VanDerWaalsContact C-N 3.26Å; E772-F774 PolarHBondContact O-N 3.29Å; E772-N775 PolarHBondContact O-N 2.95Å; E772-N775 VanDerWaalsContact O-N 3.16Å; E772-H776 PolarHBondContact O-N 2.91Å |
| 773 | I | 95 | Very high | 94.5 | Very high | 76 Ų | 76 | 56.4 Ų | 56.4 | 39% | 0.39 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -58.6 | -40.5 | 175 | -71.5 | 167.6 | 0 | 0 | 0 | 110.7 | E769 R777 | E769-I773 HydrophobicContact CG-CD1 3.94Å; E769-I773 HydrophobicContact CG-CG1 4.41Å; E769-I773 WeakPolarHBondContact O-CB 3.41Å; E769-I773 VanDerWaalsContact O-CG1 3.26Å; E769-I773 WeakPolarHBondContact O-CG1 3.44Å; E769-I773 PolarHBondContact O-N 3.33Å; I773-R777 WeakPolarHBondContact O-CG 3.44Å; I773-R777 PolarHBondContact O-N 3.2Å |
| 774 | F | 95.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -64.3 | -42.5 | 176.5 | 174 | -94.5 | 0 | 0 | 0 | 112 | H725 Y770 N771 E772 R777 N778 H784 | H725-F774 HydrophobicContact CB-CD2 3.9Å; H725-F774 HydrophobicContact CB-CE2 3.64Å; H725-F774 HydrophobicContact CB-CG 4.47Å; H725-F774 HydrophobicContact CB-CZ 4Å; H725-F774 AromaticContact CD2-CD1 3.47Å; H725-F774 VanDerWaalsContact CD2-CD1 3.47Å; H725-F774 WeakPolarHBondContact CD2-CD1 3.2Å; H725-F774 AromaticContact CD2-CD2 3.88Å; H725-F774 AromaticContact CD2-CE1 3.73Å; H725-F774 AromaticContact CD2-CG 3.56Å; H725-F774 WeakPolarHBondContact CE1-CB 3.48Å; H725-F774 AromaticContact CE1-CD2 3.96Å; H725-F774 AromaticContact CE1-CG 3.53Å; H725-F774 AromaticContact CG-CD1 3.97Å; H725-F774 AromaticContact CG-CD2 3.48Å; H725-F774 VanDerWaalsContact CG-CD2 3.48Å; H725-F774 AromaticContact CG-CE2 3.7Å; H725-F774 AromaticContact CG-CG 3.62Å; H725-F774 AromaticContact ND1-CD2 3.56Å; H725-F774 AromaticContact ND1-CG 3.64Å; H725-F774 AromaticContact NE2-CD1 3.56Å; H725-F774 AromaticContact NE2-CG 3.48Å; H725-F774 WeakPolarHBondContact NE2-CG 3.47Å; Y770-F774 PolarHBondContact O-N 3Å; N771-F774 WeakPolarHBondContact O-CB 3.36Å; N771-F774 PolarHBondContact O-N 3.29Å; E772-F774 VanDerWaalsContact C-N 3.26Å; E772-F774 PolarHBondContact O-N 3.29Å; F774-R777 PolarHBondContact O-N 3.46Å; F774-N778 PolarHBondContact O-N 3.41Å; F774-N778 PolarHBondContact O-ND2 3.41Å; F774-H784 HydrophobicContact CE1-CB 4Å; F774-H784 AromaticContact CE2-CD2 3.86Å; F774-H784 HydrophobicContact CZ-CB 4.01Å; F774-H784 AromaticContact CZ-CD2 3.4Å; F774-H784 WeakPolarHBondContact CZ-CD2 3.46Å |
| 775 | N | 95.7 | Very high | 95 | Very high | 40 Ų | 40 | 50.6 Ų | 50.6 | 21% | 0.214 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -64.7 | -45.3 | 176.7 | -172.2 | 50.4 | 0 | 0 | 0 | 112.4 | N771 E772 R777 N778 Q779 Y788 | N771-N775 PolarHBondContact O-N 2.89Å; N771-N775 VanDerWaalsContact O-N 3.1Å; E772-N775 PolarHBondContact O-N 2.95Å; E772-N775 VanDerWaalsContact O-N 3.16Å; N775-R777 PolarHBondContact O-N 2.84Å; N775-N778 CarbonylContact O-C 3.6Å; N775-N778 PolarHBondContact O-N 2.65Å; N775-Q779 WeakPolarHBondContact O-CB 3.37Å; N775-Q779 PolarHBondContact O-N 3.23Å; N775-Y788 HydrophobicContact CB-CD1 4.22Å; N775-Y788 HydrophobicContact CB-CD2 3.49Å; N775-Y788 VanDerWaalsContact CB-CD2 3.49Å; N775-Y788 HydrophobicContact CB-CE1 4.33Å; N775-Y788 HydrophobicContact CB-CE2 3.59Å; N775-Y788 HydrophobicContact CB-CG 3.8Å |
| 776 | H | 95.5 | Very high | 95.2 | Very high | 146 Ų | 146 | 47.6 Ų | 47.6 | 68% | 0.676 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -57.3 | -35.6 | 179.7 | -176.8 | -69.2 | 0 | 0 | 0 | 112.1 | E772 | E772-H776 PolarHBondContact O-N 2.91Å |
| 777 | R | 93.7 | Very high | 95.3 | Very high | 81 Ų | 81 | 48.2 Ų | 48.2 | 31% | 0.306 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -73.6 | -30.7 | 177.1 | -68.3 | -164.7 | -55.8 | -102.5 | -0.9 | 113.7 | R719 D720 I773 F774 N775 | R719-R777 PolarHBondContact O-NH2 3.31Å; D720-R777 IonicContact OD1-CZ 3.33Å; D720-R777 IonicContact OD1-NE 2.71Å; D720-R777 PolarHBondContact OD1-NE 3.27Å; D720-R777 IonicContact OD1-NH2 3.04Å; D720-R777 PolarHBondContact OD1-NH2 2.98Å; I773-R777 WeakPolarHBondContact O-CG 3.44Å; I773-R777 PolarHBondContact O-N 3.2Å; F774-R777 PolarHBondContact O-N 3.46Å; N775-R777 PolarHBondContact O-N 2.84Å |
| 778 | N | 94.3 | Very high | 95.4 | Very high | 17 Ų | 17 | 50.4 Ų | 50.4 | 9% | 0.091 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -127.7 | 20.2 | -163.3 | -58.8 | -69.8 | 0 | 0 | 0 | 114.4 | D720 F774 N775 D780 T781 H784 | D720-N778 PolarHBondContact OD1-ND2 3.12Å; F774-N778 PolarHBondContact O-N 3.41Å; F774-N778 PolarHBondContact O-ND2 3.41Å; N775-N778 CarbonylContact O-C 3.6Å; N775-N778 PolarHBondContact O-N 2.65Å; N778-D780 PolarHBondContact O-N 2.89Å; N778-T781 PolarHBondContact O-N 3.47Å; N778-T781 VanDerWaalsContact O-N 3.11Å; N778-H784 HydrophobicContact CB-CB 3.49Å; N778-H784 VanDerWaalsContact CB-CB 3.49Å; N778-H784 WeakPolarHBondContact CB-CD2 3.31Å; N778-H784 VanDerWaalsContact CB-CG 3.48Å |
| 779 | Q | 93.1 | Very high | 95.5 | Very high | 126 Ų | 126 | 48 Ų | 48 | 59% | 0.589 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -16.9 | -174.9 | 62.1 | -179.8 | -13 | 0 | 0 | 115.2 | N775 V785 | N775-Q779 WeakPolarHBondContact O-CB 3.37Å; N775-Q779 PolarHBondContact O-N 3.23Å; Q779-V785 WeakPolarHBondContact O-CG2 3.44Å |
| 780 | D | 93.6 | Very high | 95.5 | Very high | 59 Ų | 59 | 42.9 Ų | 42.9 | 32% | 0.316 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | -3.1 | -179.2 | 69.9 | -25.8 | 0 | 0 | 0 | 113.2 | N778 F814 K815 | N778-D780 PolarHBondContact O-N 2.89Å; D780-F814 CarbonylContact O-C 2.95Å; D780-F814 WeakPolarHBondContact O-CA 3.49Å; D780-K815 PolarHBondContact O-N 3.41Å; D780-K815 WeakPolarHBondContact OD2-CD 3.1Å; D780-K815 WeakPolarHBondContact OD2-CE 3.38Å; D780-K815 IonicContact OD2-NZ 2.86Å; D780-K815 PolarHBondContact OD2-NZ 3.35Å |
| 781 | T | 95.4 | Very high | 95.6 | Very high | 29 Ų | 29 | 39.9 Ų | 39.9 | 18% | 0.178 | 19% | 0.191 | C | C | . | . | B | Isolated β-bridge | trans | -115.6 | 124.1 | -174 | -56.4 | 0 | 0 | 0 | 0 | 111.2 | N778 P783 H784 V785 | N778-T781 PolarHBondContact O-N 3.47Å; N778-T781 VanDerWaalsContact O-N 3.11Å; T781-P783 HydrophobicContact CG2-CG 4.05Å; T781-H784 WeakPolarHBondContact CB-ND1 3.47Å; T781-H784 WeakPolarHBondContact CG2-ND1 3.2Å; T781-H784 WeakPolarHBondContact O-CB 3.42Å; T781-H784 PolarHBondContact O-N 3.38Å; T781-V785 WeakPolarHBondContact O-CG2 3.45Å; T781-V785 PolarHBondContact O-N 2.91Å; T781-V785 VanDerWaalsContact O-N 3.15Å |
| 782 | Y | 96.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -56.8 | -54.7 | -169.1 | -178.2 | -111 | 0 | 0 | 0 | 115.4 | H784 V785 F786 P808 P810 F814 K815 V817 C822 Y848 | Y782-H784 PolarHBondContact O-N 3.38Å; Y782-V785 PolarHBondContact O-N 2.96Å; Y782-F786 PolarHBondContact O-N 2.92Å; Y782-P808 HydrophobicContact CE2-CB 4.43Å; Y782-P810 WeakPolarHBondContact OH-CD 3.46Å; Y782-F814 HydrophobicContact CD2-CB 4.49Å; Y782-F814 AromaticContact CD2-CD2 3.83Å; Y782-F814 HydrophobicContact CD2-CD2 3.83Å; Y782-F814 HydrophobicContact CD2-CE2 4.3Å; Y782-F814 HydrophobicContact CD2-CG 4.25Å; Y782-K815 PolarHBondContact N-O 3.44Å; Y782-V817 HydrophobicContact CD2-CG2 4.43Å; Y782-V817 HydrophobicContact CG-CG2 4.03Å; Y782-C822 VanDerWaalsContact CE1-SG 3.51Å; Y782-Y848 WeakPolarHBondContact OH-CE2 3.47Å; Y782-Y848 VanDerWaalsContact OH-CZ 3.31Å; Y782-Y848 PolarHBondContact OH-OH 3.33Å |
| 783 | P | 95.2 | Very high | 95.6 | Very high | 18 Ų | 18 | 35.3 Ų | 35.3 | 12% | 0.117 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -60.6 | -30 | -179.2 | 22.9 | -35.7 | 0 | 0 | 0 | 113.3 | P722 T781 R787 | P722-P783 HydrophobicContact CG-CB 4.15Å; T781-P783 HydrophobicContact CG2-CG 4.05Å; P783-R787 WeakPolarHBondContact O-CB 3.44Å; P783-R787 WeakPolarHBondContact O-CG 3.48Å; P783-R787 PolarHBondContact O-N 3.34Å |
| 784 | H | 96.3 | Very high | 95.5 | Very high | 22 Ų | 22 | 33 Ų | 33 | 10% | 0.102 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -69.3 | -49.5 | 175.9 | -61 | 75.1 | 0 | 0 | 0 | 112 | D720 F774 N778 T781 Y782 F786 R787 Y788 | D720-H784 PolarHBondContact O-CD2 3.19Å; D720-H784 PolarHBondContact O-NE2 3.4Å; F774-H784 HydrophobicContact CE1-CB 4Å; F774-H784 AromaticContact CE2-CD2 3.86Å; F774-H784 HydrophobicContact CZ-CB 4.01Å; F774-H784 AromaticContact CZ-CD2 3.4Å; F774-H784 WeakPolarHBondContact CZ-CD2 3.46Å; N778-H784 HydrophobicContact CB-CB 3.49Å; N778-H784 VanDerWaalsContact CB-CB 3.49Å; N778-H784 WeakPolarHBondContact CB-CD2 3.31Å; N778-H784 VanDerWaalsContact CB-CG 3.48Å; T781-H784 WeakPolarHBondContact CB-ND1 3.47Å; T781-H784 WeakPolarHBondContact CG2-ND1 3.2Å; T781-H784 WeakPolarHBondContact O-CB 3.42Å; T781-H784 PolarHBondContact O-N 3.38Å; Y782-H784 PolarHBondContact O-N 3.38Å; H784-F786 VanDerWaalsContact C-N 3.27Å; H784-F786 PolarHBondContact O-N 2.84Å; H784-R787 PolarHBondContact O-N 3.2Å; H784-Y788 VanDerWaalsContact O-CB 3.26Å; H784-Y788 WeakPolarHBondContact O-CB 3.32Å; H784-Y788 PolarHBondContact O-N 2.85Å |
| 785 | V | 96.5 | Very high | 95.5 | Very high | 19 Ų | 19 | 33.3 Ų | 33.3 | 12% | 0.115 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -61.9 | -39.7 | 178.9 | -177.1 | 0 | 0 | 0 | 0 | 110.1 | Q779 T781 Y782 Y788 T789 P808 F814 | Q779-V785 WeakPolarHBondContact O-CG2 3.44Å; T781-V785 WeakPolarHBondContact O-CG2 3.45Å; T781-V785 PolarHBondContact O-N 2.91Å; T781-V785 VanDerWaalsContact O-N 3.15Å; Y782-V785 PolarHBondContact O-N 2.96Å; V785-Y788 WeakPolarHBondContact O-CB 3.39Å; V785-Y788 PolarHBondContact O-N 3.22Å; V785-T789 PolarHBondContact O-N 2.87Å; V785-T789 PolarHBondContact O-OG1 3.27Å; V785-P808 HydrophobicContact CB-CG 4.46Å; V785-P808 HydrophobicContact CG1-CB 4Å; V785-P808 HydrophobicContact CG1-CG 3.97Å; V785-F814 HydrophobicContact CB-CE1 4.4Å; V785-F814 HydrophobicContact CG1-CE1 4.41Å; V785-F814 HydrophobicContact CG2-CD1 4.4Å; V785-F814 HydrophobicContact CG2-CE1 3.98Å |
| 786 | F | 96.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -61.3 | -52 | 175.4 | -177.4 | -90.1 | 0 | 0 | 0 | 112.6 | Y782 H784 Y788 T789 L790 I807 P808 C825 I828 L829 Y848 | Y782-F786 PolarHBondContact O-N 2.92Å; H784-F786 VanDerWaalsContact C-N 3.27Å; H784-F786 PolarHBondContact O-N 2.84Å; F786-Y788 VanDerWaalsContact C-N 3.33Å; F786-Y788 PolarHBondContact O-N 3.49Å; F786-T789 PolarHBondContact O-N 3.06Å; F786-L790 HydrophobicContact CD1-CD1 3.9Å; F786-L790 HydrophobicContact CD1-CG 4.26Å; F786-L790 HydrophobicContact CE1-CD1 3.34Å; F786-L790 HydrophobicContact CE1-CG 3.92Å; F786-L790 HydrophobicContact CZ-CD1 4.07Å; F786-L790 HydrophobicContact CZ-CG 4.37Å; F786-L790 PolarHBondContact O-N 3.19Å; F786-I807 HydrophobicContact CD2-CD1 3.92Å; F786-I807 HydrophobicContact CD2-CG1 3.9Å; F786-I807 HydrophobicContact CE2-CD1 3.3Å; F786-I807 HydrophobicContact CE2-CG1 3.78Å; F786-I807 HydrophobicContact CZ-CD1 3.88Å; F786-P808 HydrophobicContact CB-CG 4.09Å; F786-P808 HydrophobicContact CD2-CG 4.34Å; F786-C825 HydrophobicContact CD1-CB 4.15Å; F786-C825 WeakPolarHBondContact CD1-SG 3.23Å; F786-C825 HydrophobicContact CD2-CB 4.03Å; F786-C825 HydrophobicContact CE1-CB 3.71Å; F786-C825 VanDerWaalsContact CE1-SG 3.6Å; F786-C825 HydrophobicContact CE2-CB 3.59Å; F786-C825 HydrophobicContact CG-CB 4.3Å; F786-C825 VanDerWaalsContact CG-SG 3.59Å; F786-C825 HydrophobicContact CZ-CB 3.43Å; F786-C825 VanDerWaalsContact CZ-CB 3.43Å; F786-I828 HydrophobicContact CE1-CD1 4.11Å; F786-L829 HydrophobicContact CE2-CD1 4.4Å; F786-L829 HydrophobicContact CZ-CD1 4.44Å; F786-L829 HydrophobicContact CZ-CD2 4.31Å; F786-L829 HydrophobicContact CZ-CG 4.12Å; F786-Y848 HydrophobicContact CD2-CE2 4.34Å; F786-Y848 HydrophobicContact CE2-CE2 4.01Å |
| 787 | R | 96 | Very high | 95.3 | Very high | 31 Ų | 31 | 30.2 Ų | 30.2 | 12% | 0.117 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -66.7 | -33.3 | 179 | -72.9 | -74.2 | -169 | -168.1 | 5.9 | 112.6 | P722 E726 P783 H784 L790 C791 | P722-R787 HydrophobicContact CB-CB 4.04Å; P722-R787 HydrophobicContact CB-CG 3.67Å; E726-R787 WeakPolarHBondContact OE2-CD 3.44Å; E726-R787 IonicContact OE2-CZ 2.63Å; E726-R787 VanDerWaalsContact OE2-CZ 3.27Å; E726-R787 IonicContact OE2-NE 3.63Å; E726-R787 IonicContact OE2-NH1 3.96Å; E726-R787 PolarHBondContact OE2-NH1 3.02Å; P783-R787 WeakPolarHBondContact O-CB 3.44Å; P783-R787 WeakPolarHBondContact O-CG 3.48Å; P783-R787 PolarHBondContact O-N 3.34Å; H784-R787 PolarHBondContact O-N 3.2Å; R787-L790 PolarHBondContact O-N 3.32Å; R787-C791 WeakPolarHBondContact O-CB 3.5Å; R787-C791 PolarHBondContact O-N 3.25Å; R787-C791 PolarHBondContact O-SG 2.83Å |
| 788 | Y | 96.9 | Very high | 95.2 | Very high | 45 Ų | 45 | 34.7 Ų | 34.7 | 18% | 0.176 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -58.3 | -49.1 | 170.3 | 163.1 | -101.7 | 0 | 0 | 0 | 111.3 | N771 N775 H784 V785 F786 L790 C791 Q792 | N771-Y788 WeakPolarHBondContact ND2-CD2 3.2Å; N771-Y788 WeakPolarHBondContact ND2-CE2 3.31Å; N771-Y788 PolarHBondContact ND2-O 3.38Å; N771-Y788 WeakPolarHBondContact O-CD2 3.41Å; N771-Y788 WeakPolarHBondContact OD1-CD2 3.4Å; N775-Y788 HydrophobicContact CB-CD1 4.22Å; N775-Y788 HydrophobicContact CB-CD2 3.49Å; N775-Y788 VanDerWaalsContact CB-CD2 3.49Å; N775-Y788 HydrophobicContact CB-CE1 4.33Å; N775-Y788 HydrophobicContact CB-CE2 3.59Å; N775-Y788 HydrophobicContact CB-CG 3.8Å; H784-Y788 VanDerWaalsContact O-CB 3.26Å; H784-Y788 WeakPolarHBondContact O-CB 3.32Å; H784-Y788 PolarHBondContact O-N 2.85Å; V785-Y788 WeakPolarHBondContact O-CB 3.39Å; V785-Y788 PolarHBondContact O-N 3.22Å; F786-Y788 VanDerWaalsContact C-N 3.33Å; F786-Y788 PolarHBondContact O-N 3.49Å; Y788-L790 VanDerWaalsContact C-N 3.33Å; Y788-L790 PolarHBondContact O-N 2.67Å; Y788-C791 WeakPolarHBondContact O-CB 3.23Å; Y788-C791 PolarHBondContact O-N 2.9Å; Y788-C791 VanDerWaalsContact O-N 3.14Å; Y788-Q792 HydrophobicContact CD2-CG 4.42Å; Y788-Q792 HydrophobicContact CE1-CG 4.03Å; Y788-Q792 HydrophobicContact CE2-CG 3.9Å; Y788-Q792 PolarHBondContact O-N 3.43Å; Y788-Q792 PolarHBondContact OH-NE2 3.49Å |
| 789 | T | 96.3 | Very high | 95.2 | Very high | 14 Ų | 14 | 38.6 Ų | 38.6 | 9% | 0.086 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -62 | -41 | 177.4 | -56 | 0 | 0 | 0 | 0 | 111.4 | V785 F786 C791 Q792 C793 I807 P808 | V785-T789 PolarHBondContact O-N 2.87Å; V785-T789 PolarHBondContact O-OG1 3.27Å; F786-T789 PolarHBondContact O-N 3.06Å; T789-C791 VanDerWaalsContact C-N 3.33Å; T789-C791 PolarHBondContact O-N 3.2Å; T789-Q792 WeakPolarHBondContact O-CB 3.37Å; T789-Q792 PolarHBondContact O-N 3.31Å; T789-C793 PolarHBondContact O-N 3.14Å; T789-C793 VanDerWaalsContact O-N 3.11Å; T789-C793 PolarHBondContact O-SG 2.81Å; T789-C793 VanDerWaalsContact O-SG 3.36Å; T789-I807 HydrophobicContact CG2-CG1 4.34Å; T789-P808 WeakPolarHBondContact OG1-CD 3.48Å |
| 790 | L | 95.5 | Very high | 95.2 | Very high | 5 Ų | 5 | 34.6 Ų | 34.6 | 3% | 0.026 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -60.8 | -42 | 173.1 | -70.3 | -175.4 | 0 | 0 | 0 | 112.3 | F786 R787 Y788 Q792 C793 L794 I807 I828 L829 L837 | F786-L790 HydrophobicContact CD1-CD1 3.9Å; F786-L790 HydrophobicContact CD1-CG 4.26Å; F786-L790 HydrophobicContact CE1-CD1 3.34Å; F786-L790 HydrophobicContact CE1-CG 3.92Å; F786-L790 HydrophobicContact CZ-CD1 4.07Å; F786-L790 HydrophobicContact CZ-CG 4.37Å; F786-L790 PolarHBondContact O-N 3.19Å; R787-L790 PolarHBondContact O-N 3.32Å; Y788-L790 VanDerWaalsContact C-N 3.33Å; Y788-L790 PolarHBondContact O-N 2.67Å; L790-Q792 VanDerWaalsContact C-N 3.31Å; L790-Q792 PolarHBondContact O-N 2.91Å; L790-C793 VanDerWaalsContact O-CB 3.32Å; L790-C793 WeakPolarHBondContact O-CB 3.12Å; L790-C793 PolarHBondContact O-N 2.79Å; L790-L794 WeakPolarHBondContact O-CG 3.34Å; L790-L794 PolarHBondContact O-N 3.26Å; L790-I807 HydrophobicContact CD2-CD1 4.31Å; L790-I828 HydrophobicContact CD1-CG2 3.55Å; L790-L829 HydrophobicContact CD2-CD2 4.29Å; L790-L837 HydrophobicContact CD2-CD1 4.1Å; L790-L837 HydrophobicContact CD2-CD2 3.84Å |
| 791 | C | 96.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -62.9 | -38.3 | 175 | -69.9 | 0 | 0 | 0 | 0 | 111.6 | V729 N771 R787 Y788 T789 C793 L794 I795 | V729-C791 HydrophobicContact CB-CB 4.45Å; V729-C791 HydrophobicContact CG1-CB 4.05Å; V729-C791 HydrophobicContact CG2-CB 4.3Å; N771-C791 WeakPolarHBondContact ND2-CB 3.3Å; N771-C791 WeakPolarHBondContact OD1-CB 3.39Å; R787-C791 WeakPolarHBondContact O-CB 3.5Å; R787-C791 PolarHBondContact O-N 3.25Å; R787-C791 PolarHBondContact O-SG 2.83Å; Y788-C791 WeakPolarHBondContact O-CB 3.23Å; Y788-C791 PolarHBondContact O-N 2.9Å; Y788-C791 VanDerWaalsContact O-N 3.14Å; T789-C791 VanDerWaalsContact C-N 3.33Å; T789-C791 PolarHBondContact O-N 3.2Å; C791-C793 VanDerWaalsContact C-N 3.31Å; C791-C793 PolarHBondContact O-N 2.74Å; C791-L794 WeakPolarHBondContact O-CB 3.41Å; C791-L794 PolarHBondContact O-N 2.8Å; C791-I795 VanDerWaalsContact O-CG1 3.23Å; C791-I795 WeakPolarHBondContact O-CG1 3.32Å; C791-I795 PolarHBondContact O-N 3.45Å |
| 792 | Q | 96.9 | Very high | 95 | Very high | 10 Ų | 10 | 38.9 Ų | 38.9 | 5% | 0.047 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -60.9 | -39.4 | 174.7 | -71.2 | -61.5 | -7.9 | 0 | 0 | 112.3 | N771 Y788 T789 L790 L794 I795 D796 Y803 | N771-Q792 PolarHBondContact ND2-NE2 3.48Å; Y788-Q792 HydrophobicContact CD2-CG 4.42Å; Y788-Q792 HydrophobicContact CE1-CG 4.03Å; Y788-Q792 HydrophobicContact CE2-CG 3.9Å; Y788-Q792 PolarHBondContact O-N 3.43Å; Y788-Q792 PolarHBondContact OH-NE2 3.49Å; T789-Q792 WeakPolarHBondContact O-CB 3.37Å; T789-Q792 PolarHBondContact O-N 3.31Å; L790-Q792 VanDerWaalsContact C-N 3.31Å; L790-Q792 PolarHBondContact O-N 2.91Å; Q792-L794 PolarHBondContact O-N 3.36Å; Q792-I795 PolarHBondContact O-N 3.04Å; Q792-D796 PolarHBondContact O-N 3.14Å; Q792-Y803 HydrophobicContact CB-CD1 4.09Å; Q792-Y803 HydrophobicContact CB-CD2 4.15Å; Q792-Y803 HydrophobicContact CB-CE1 4.08Å; Q792-Y803 HydrophobicContact CB-CE2 4.14Å; Q792-Y803 HydrophobicContact CB-CG 4.13Å; Q792-Y803 HydrophobicContact CG-CE1 4.48Å |
| 793 | C | 95.7 | Very high | 95 | Very high | 4 Ų | 4 | 42 Ų | 42 | 3% | 0.027 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -58.2 | -31.9 | 173.1 | -63.2 | 0 | 0 | 0 | 0 | 113.3 | T789 L790 C791 R800 Y803 L837 | T789-C793 PolarHBondContact O-N 3.14Å; T789-C793 VanDerWaalsContact O-N 3.11Å; T789-C793 PolarHBondContact O-SG 2.81Å; T789-C793 VanDerWaalsContact O-SG 3.36Å; L790-C793 VanDerWaalsContact O-CB 3.32Å; L790-C793 WeakPolarHBondContact O-CB 3.12Å; L790-C793 PolarHBondContact O-N 2.79Å; C791-C793 VanDerWaalsContact C-N 3.31Å; C791-C793 PolarHBondContact O-N 2.74Å; C793-R800 HydrophobicContact CB-CG 4.1Å; C793-Y803 WeakPolarHBondContact SG-CB 3.35Å; C793-L837 HydrophobicContact CB-CD1 3.73Å |
| 794 | L | 94.5 | Very high | 94.9 | Very high | 26 Ų | 26 | 41.4 Ų | 41.4 | 14% | 0.136 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -84.1 | -36.1 | -179.7 | -59.2 | 177.6 | 0 | 0 | 0 | 112.4 | R730 L733 L790 C791 Q792 L836 | R730-L794 HydrophobicContact CG-CD1 3.68Å; L733-L794 HydrophobicContact CD1-CB 3.64Å; L790-L794 WeakPolarHBondContact O-CG 3.34Å; L790-L794 PolarHBondContact O-N 3.26Å; C791-L794 WeakPolarHBondContact O-CB 3.41Å; C791-L794 PolarHBondContact O-N 2.8Å; Q792-L794 PolarHBondContact O-N 3.36Å; L794-L836 HydrophobicContact CD2-CB 3.88Å |
| 795 | I | 95.5 | Very high | 94.7 | Very high | 8 Ų | 8 | 43.5 Ų | 43.5 | 4% | 0.041 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -76.4 | -37.9 | -178.4 | -63.1 | 166.2 | 0 | 0 | 0 | 111.2 | V729 L733 I764 V767 Q768 N771 C791 Q792 P797 | V729-I795 HydrophobicContact CG1-CD1 3.87Å; V729-I795 HydrophobicContact CG1-CG1 3.85Å; L733-I795 HydrophobicContact CD1-CG1 4.17Å; L733-I795 HydrophobicContact CD2-CG1 4.24Å; I764-I795 HydrophobicContact CD1-CG2 4.21Å; I764-I795 HydrophobicContact CG1-CG2 4.19Å; V767-I795 HydrophobicContact CG1-CD1 4.08Å; V767-I795 HydrophobicContact CG1-CG1 3.99Å; Q768-I795 HydrophobicContact CB-CG2 4.4Å; Q768-I795 HydrophobicContact CG-CG2 3.28Å; N771-I795 HydrophobicContact CB-CD1 3.61Å; C791-I795 VanDerWaalsContact O-CG1 3.23Å; C791-I795 WeakPolarHBondContact O-CG1 3.32Å; C791-I795 PolarHBondContact O-N 3.45Å; Q792-I795 PolarHBondContact O-N 3.04Å; I795-P797 WeakPolarHBondContact O-CD 3.43Å |
| 796 | D | 94.3 | Very high | 94.6 | Very high | 29 Ų | 29 | 47.4 Ų | 47.4 | 16% | 0.155 | 24% | 0.239 | C | C | . | . | trans | -123.1 | 82.3 | 177.4 | 179.3 | 11.4 | 0 | 0 | 0 | 111.3 | Q792 Q798 H799 R800 Y803 | Q792-D796 PolarHBondContact O-N 3.14Å; D796-Q798 PolarHBondContact O-N 2.93Å; D796-Q798 VanDerWaalsContact O-N 3.16Å; D796-Q798 PolarHBondContact OD1-N 3.16Å; D796-H799 PolarHBondContact O-N 3.5Å; D796-H799 PolarHBondContact OD1-N 3.32Å; D796-H799 IonicContact OD1-ND1 3.33Å; D796-H799 PolarHBondContact OD1-ND1 2.67Å; D796-H799 WeakPolarHBondContact OD2-CB 3.45Å; D796-H799 IonicContact OD2-CE1 3.7Å; D796-H799 IonicContact OD2-CG 2.85Å; D796-H799 IonicContact OD2-ND1 2.64Å; D796-H799 PolarHBondContact OD2-ND1 3.02Å; D796-R800 PolarHBondContact O-N 3.5Å; D796-Y803 HydrophobicContact CB-CE2 4.12Å | ||
| 797 | P | 91.1 | Very high | 94.5 | Very high | 91 Ų | 91 | 48 Ų | 48 | 59% | 0.591 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -19.8 | 179.1 | -24.2 | 34.7 | 0 | 0 | 0 | 114.3 | I795 R800 | I795-P797 WeakPolarHBondContact O-CD 3.43Å; P797-R800 WeakPolarHBondContact O-CB 3.44Å |
| 798 | Q | 92.4 | Very high | 94.4 | Very high | 176 Ų | 176 | 47.2 Ų | 47.2 | 82% | 0.822 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.8 | -36.7 | -177.6 | -61.7 | -177.8 | 11.9 | 0 | 0 | 111.8 | D796 | D796-Q798 PolarHBondContact O-N 2.93Å; D796-Q798 VanDerWaalsContact O-N 3.16Å; D796-Q798 PolarHBondContact OD1-N 3.16Å |
| 799 | H | 94.1 | Very high | 94.4 | Very high | 98 Ų | 98 | 48 Ų | 48 | 45% | 0.454 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -101.4 | 13 | 176.9 | -57.8 | 98.2 | 0 | 0 | 0 | 113.2 | D796 D801 N802 Y803 | D796-H799 PolarHBondContact O-N 3.5Å; D796-H799 PolarHBondContact OD1-N 3.32Å; D796-H799 IonicContact OD1-ND1 3.33Å; D796-H799 PolarHBondContact OD1-ND1 2.67Å; D796-H799 WeakPolarHBondContact OD2-CB 3.45Å; D796-H799 IonicContact OD2-CE1 3.7Å; D796-H799 IonicContact OD2-CG 2.85Å; D796-H799 IonicContact OD2-ND1 2.64Å; D796-H799 PolarHBondContact OD2-ND1 3.02Å; H799-D801 VanDerWaalsContact C-N 3.31Å; H799-D801 PolarHBondContact O-N 3.37Å; H799-N802 WeakPolarHBondContact O-CB 3.25Å; H799-N802 PolarHBondContact O-N 2.8Å; H799-Y803 HydrophobicContact CB-CD2 4.23Å; H799-Y803 HydrophobicContact CB-CE2 3.75Å; H799-Y803 WeakPolarHBondContact O-CD2 3.43Å; H799-Y803 PolarHBondContact O-N 2.97Å; H799-Y803 VanDerWaalsContact O-N 3.11Å |
| 800 | R | 93.5 | Very high | 94.3 | Very high | 42 Ų | 42 | 47.9 Ų | 47.9 | 16% | 0.158 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -45.3 | -51.5 | 179.5 | 175.1 | -175.6 | 173.8 | -83 | 2.6 | 113.3 | C793 D796 P797 N802 Y803 L804 L837 G838 R839 | C793-R800 HydrophobicContact CB-CG 4.1Å; D796-R800 PolarHBondContact O-N 3.5Å; P797-R800 WeakPolarHBondContact O-CB 3.44Å; R800-N802 VanDerWaalsContact C-N 3.26Å; R800-N802 PolarHBondContact O-N 2.76Å; R800-Y803 PolarHBondContact O-N 3.41Å; R800-Y803 VanDerWaalsContact O-N 3.16Å; R800-L804 HydrophobicContact CG-CD1 4.06Å; R800-L804 HydrophobicContact CG-CG 4.47Å; R800-L804 VanDerWaalsContact CZ-CD1 3.41Å; R800-L804 WeakPolarHBondContact O-CG 3.49Å; R800-L804 PolarHBondContact O-N 3.28Å; R800-L837 PolarHBondContact NE-O 2.92Å; R800-L837 PolarHBondContact NH2-O 3.3Å; R800-G838 PolarHBondContact NH2-O 3.11Å; R800-R839 PolarHBondContact NH2-O 3.15Å |
| 801 | D | 91.4 | Very high | 94.2 | Very high | 89 Ų | 89 | 49.2 Ų | 49.2 | 48% | 0.476 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -68.7 | -28.5 | -174.3 | -60.6 | -22.7 | 0 | 0 | 0 | 111.9 | H799 T805 | H799-D801 VanDerWaalsContact C-N 3.31Å; H799-D801 PolarHBondContact O-N 3.37Å; D801-T805 VanDerWaalsContact O-CB 3.28Å; D801-T805 WeakPolarHBondContact O-CB 3.22Å; D801-T805 PolarHBondContact O-N 3.11Å; D801-T805 PolarHBondContact O-OG1 3.09Å |
| 802 | N | 94.1 | Very high | 94 | Very high | 90 Ų | 90 | 55.9 Ų | 55.9 | 48% | 0.481 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -67.9 | -43.3 | 172.1 | -176.8 | 39.5 | 0 | 0 | 0 | 111.5 | H799 R800 T805 N806 | H799-N802 WeakPolarHBondContact O-CB 3.25Å; H799-N802 PolarHBondContact O-N 2.8Å; R800-N802 VanDerWaalsContact C-N 3.26Å; R800-N802 PolarHBondContact O-N 2.76Å; N802-T805 PolarHBondContact O-N 3.43Å; N802-N806 WeakPolarHBondContact O-CB 3.39Å; N802-N806 PolarHBondContact O-N 2.96Å; N802-N806 VanDerWaalsContact O-N 3.15Å; N802-N806 PolarHBondContact O-ND2 2.67Å; N802-N806 PolarHBondContact OD1-ND2 3.26Å |
| 803 | Y | 94.9 | Very high | 93.8 | Very high | 66 Ų | 66 | 64.2 Ų | 64.2 | 26% | 0.259 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -64.5 | -42.6 | 175.2 | -66.2 | -59.7 | 0 | 0 | 0 | 112 | Q792 C793 D796 H799 R800 N806 I807 | Q792-Y803 HydrophobicContact CB-CD1 4.09Å; Q792-Y803 HydrophobicContact CB-CD2 4.15Å; Q792-Y803 HydrophobicContact CB-CE1 4.08Å; Q792-Y803 HydrophobicContact CB-CE2 4.14Å; Q792-Y803 HydrophobicContact CB-CG 4.13Å; Q792-Y803 HydrophobicContact CG-CE1 4.48Å; C793-Y803 WeakPolarHBondContact SG-CB 3.35Å; D796-Y803 HydrophobicContact CB-CE2 4.12Å; H799-Y803 HydrophobicContact CB-CD2 4.23Å; H799-Y803 HydrophobicContact CB-CE2 3.75Å; H799-Y803 WeakPolarHBondContact O-CD2 3.43Å; H799-Y803 PolarHBondContact O-N 2.97Å; H799-Y803 VanDerWaalsContact O-N 3.11Å; R800-Y803 PolarHBondContact O-N 3.41Å; R800-Y803 VanDerWaalsContact O-N 3.16Å; Y803-N806 CarbonylContact O-C 3.3Å; Y803-N806 VanDerWaalsContact O-C 3.3Å; Y803-N806 PolarHBondContact O-N 3.3Å; Y803-I807 PolarHBondContact O-N 3.41Å |
| 804 | L | 93.7 | Very high | 93.7 | Very high | 4 Ų | 4 | 66.3 Ų | 66.3 | 2% | 0.021 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -64.8 | -40.7 | 176.7 | -71.5 | 178.1 | 0 | 0 | 0 | 112.5 | R800 N806 I807 L829 L837 V844 | R800-L804 HydrophobicContact CG-CD1 4.06Å; R800-L804 HydrophobicContact CG-CG 4.47Å; R800-L804 VanDerWaalsContact CZ-CD1 3.41Å; R800-L804 WeakPolarHBondContact O-CG 3.49Å; R800-L804 PolarHBondContact O-N 3.28Å; L804-N806 PolarHBondContact O-N 3.39Å; L804-I807 WeakPolarHBondContact O-CB 3.24Å; L804-I807 PolarHBondContact O-N 2.81Å; L804-L829 HydrophobicContact CD2-CD2 4.4Å; L804-L837 HydrophobicContact CD2-CD1 4.36Å; L804-V844 HydrophobicContact CB-CG1 4.47Å; L804-V844 VanDerWaalsContact O-CG1 3.31Å; L804-V844 WeakPolarHBondContact O-CG1 3.44Å |
| 805 | T | 92.8 | Very high | 93.6 | Very high | 66 Ų | 66 | 71.3 Ų | 71.3 | 41% | 0.405 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -63.5 | -30.5 | 176.9 | -60.5 | 0 | 0 | 0 | 0 | 112.3 | D801 N802 K847 | D801-T805 VanDerWaalsContact O-CB 3.28Å; D801-T805 WeakPolarHBondContact O-CB 3.22Å; D801-T805 PolarHBondContact O-N 3.11Å; D801-T805 PolarHBondContact O-OG1 3.09Å; N802-T805 PolarHBondContact O-N 3.43Å; T805-K847 PolarHBondContact O-NZ 3.35Å |
| 806 | N | 93.1 | Very high | 93.3 | Very high | 102 Ų | 102 | 73 Ų | 73 | 55% | 0.545 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.2 | 23.1 | -179.9 | -64.5 | -45.6 | 0 | 0 | 0 | 113.4 | N802 Y803 L804 | N802-N806 WeakPolarHBondContact O-CB 3.39Å; N802-N806 PolarHBondContact O-N 2.96Å; N802-N806 VanDerWaalsContact O-N 3.15Å; N802-N806 PolarHBondContact O-ND2 2.67Å; N802-N806 PolarHBondContact OD1-ND2 3.26Å; Y803-N806 CarbonylContact O-C 3.3Å; Y803-N806 VanDerWaalsContact O-C 3.3Å; Y803-N806 PolarHBondContact O-N 3.3Å; L804-N806 PolarHBondContact O-N 3.39Å |
| 807 | I | 94.9 | Very high | 93.4 | Very high | 11 Ų | 11 | 72.6 Ų | 72.6 | 6% | 0.056 | 38% | 0.377 | C | S | . | . | P | Polyproline II helix | trans | -57.8 | 138.2 | 177.2 | -155.4 | 163.6 | 0 | 0 | 0 | 110.4 | F786 T789 L790 Y803 L804 L809 L829 Y848 | F786-I807 HydrophobicContact CD2-CD1 3.92Å; F786-I807 HydrophobicContact CD2-CG1 3.9Å; F786-I807 HydrophobicContact CE2-CD1 3.3Å; F786-I807 HydrophobicContact CE2-CG1 3.78Å; F786-I807 HydrophobicContact CZ-CD1 3.88Å; T789-I807 HydrophobicContact CG2-CG1 4.34Å; L790-I807 HydrophobicContact CD2-CD1 4.31Å; Y803-I807 PolarHBondContact O-N 3.41Å; L804-I807 WeakPolarHBondContact O-CB 3.24Å; L804-I807 PolarHBondContact O-N 2.81Å; I807-L809 PolarHBondContact O-N 3.43Å; I807-L829 HydrophobicContact CD1-CD1 4.11Å; I807-L829 HydrophobicContact CD1-CD2 3.6Å; I807-L829 HydrophobicContact CD1-CG 4.34Å; I807-Y848 HydrophobicContact CG2-CD2 3.92Å |
| 808 | P | 94.6 | Very high | 93.6 | Very high | 15 Ų | 15 | 69.6 Ų | 69.6 | 10% | 0.097 | 36% | 0.357 | C | S | . | . | P | Polyproline II helix | trans | -60 | 133.9 | -177.8 | 24.9 | -37.4 | 0 | 0 | 0 | 111.1 | Y782 V785 F786 T789 F814 | Y782-P808 HydrophobicContact CE2-CB 4.43Å; V785-P808 HydrophobicContact CB-CG 4.46Å; V785-P808 HydrophobicContact CG1-CB 4Å; V785-P808 HydrophobicContact CG1-CG 3.97Å; F786-P808 HydrophobicContact CB-CG 4.09Å; F786-P808 HydrophobicContact CD2-CG 4.34Å; T789-P808 WeakPolarHBondContact OG1-CD 3.48Å; P808-F814 HydrophobicContact CB-CE2 4.48Å; P808-F814 HydrophobicContact CB-CZ 4.41Å |
| 809 | L | 96.1 | Very high | 93.7 | Very high | 62 Ų | 62 | 61.7 Ų | 61.7 | 33% | 0.325 | 32% | 0.319 | S | S | . | . | P | Polyproline II helix | trans | -97 | 151.1 | 175.5 | -60.7 | -178.9 | 0 | 0 | 0 | 110.2 | I807 S811 Y848 A851 | I807-L809 PolarHBondContact O-N 3.43Å; L809-S811 PolarHBondContact O-N 2.82Å; L809-Y848 HydrophobicContact CD2-CD2 3.89Å; L809-A851 HydrophobicContact CB-CB 4.47Å; L809-A851 HydrophobicContact CD1-CB 4.06Å; L809-A851 HydrophobicContact CD2-CB 3.92Å; L809-A851 HydrophobicContact CG-CB 4.38Å |
| 810 | P | 94.7 | Very high | 93.8 | Very high | 12 Ų | 12 | 61.2 Ų | 61.2 | 8% | 0.078 | 32% | 0.317 | C | S | . | . | P | Polyproline II helix | trans | -59.9 | 134 | 176.5 | 25.5 | -33.4 | 0 | 0 | 0 | 110.5 | Y782 V817 Y855 | Y782-P810 WeakPolarHBondContact OH-CD 3.46Å; P810-V817 HydrophobicContact CB-CG1 3.64Å; P810-Y855 HydrophobicContact CB-CD1 4.09Å; P810-Y855 HydrophobicContact CB-CG 4.13Å; P810-Y855 HydrophobicContact CG-CG 4.4Å |
| 811 | S | 94.2 | Very high | 94 | Very high | 33 Ų | 33 | 62.7 Ų | 62.7 | 23% | 0.231 | 33% | 0.326 | C | S | . | . | trans | -161.9 | 157.8 | 176.8 | 68.7 | 0 | 0 | 0 | 0 | 111.3 | L809 K813 F814 | L809-S811 PolarHBondContact O-N 2.82Å; S811-K813 PolarHBondContact O-N 3.31Å; S811-F814 PolarHBondContact O-N 2.57Å; S811-F814 WeakPolarHBondContact OG-CD2 3.45Å | ||
| 812 | D | 91.3 | Very high | 94.2 | Very high | 140 Ų | 140 | 58.5 Ų | 58.5 | 75% | 0.749 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -9.1 | 179.6 | -56.4 | -34.6 | 0 | 0 | 0 | 114.2 | F814 Y855 | D812-F814 PolarHBondContact O-N 3.04Å; D812-Y855 WeakPolarHBondContact OD1-CE2 3.41Å; D812-Y855 PolarHBondContact OD1-OH 3.18Å |
| 813 | K | 92.5 | Very high | 94.4 | Very high | 185 Ų | 185 | 57.5 Ų | 57.5 | 80% | 0.804 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.3 | -23.2 | 174.4 | -62.5 | 179.2 | -178.7 | 176 | 0 | 112.2 | S811 | S811-K813 PolarHBondContact O-N 3.31Š|
| 814 | F | 93.7 | Very high | 94.4 | Very high | 48 Ų | 48 | 57.4 Ų | 57.4 | 21% | 0.211 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -102.7 | 143.1 | -178.6 | -59 | -65.8 | 0 | 0 | 0 | 111.6 | D780 Y782 V785 P808 S811 D812 V817 | D780-F814 CarbonylContact O-C 2.95Å; D780-F814 WeakPolarHBondContact O-CA 3.49Å; Y782-F814 HydrophobicContact CD2-CB 4.49Å; Y782-F814 AromaticContact CD2-CD2 3.83Å; Y782-F814 HydrophobicContact CD2-CD2 3.83Å; Y782-F814 HydrophobicContact CD2-CE2 4.3Å; Y782-F814 HydrophobicContact CD2-CG 4.25Å; V785-F814 HydrophobicContact CB-CE1 4.4Å; V785-F814 HydrophobicContact CG1-CE1 4.41Å; V785-F814 HydrophobicContact CG2-CD1 4.4Å; V785-F814 HydrophobicContact CG2-CE1 3.98Å; P808-F814 HydrophobicContact CB-CE2 4.48Å; P808-F814 HydrophobicContact CB-CZ 4.41Å; S811-F814 PolarHBondContact O-N 2.57Å; S811-F814 WeakPolarHBondContact OG-CD2 3.45Å; D812-F814 PolarHBondContact O-N 3.04Å; F814-V817 HydrophobicContact CB-CG2 3.66Å; F814-V817 WeakPolarHBondContact O-CG2 3.41Å |
| 815 | K | 92.4 | Very high | 94.5 | Very high | 130 Ų | 130 | 57.4 Ų | 57.4 | 57% | 0.565 | 30% | 0.299 | S | S | * | . | B | Isolated β-bridge | trans | -79.3 | 155.8 | 164.7 | -63.2 | 175.1 | -174.4 | 158.7 | 0 | 110.1 | D780 Y782 V817 | D780-K815 PolarHBondContact O-N 3.41Å; D780-K815 WeakPolarHBondContact OD2-CD 3.1Å; D780-K815 WeakPolarHBondContact OD2-CE 3.38Å; D780-K815 IonicContact OD2-NZ 2.86Å; D780-K815 PolarHBondContact OD2-NZ 3.35Å; Y782-K815 PolarHBondContact N-O 3.44Å; K815-V817 VanDerWaalsContact C-N 3.26Å; K815-V817 PolarHBondContact O-N 3.37Å |
| 816 | G | 90.2 | Very high | 94.7 | Very high | 45 Ų | 45 | 54.3 Ų | 54.3 | 46% | 0.464 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.9 | 15 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | T818 | G816-T818 PolarHBondContact O-N 2.95Š|
| 817 | V | 95.2 | Very high | 94.7 | Very high | 20 Ų | 20 | 51.5 Ų | 51.5 | 12% | 0.121 | 27% | 0.265 | C | S | . | . | trans | -70.8 | 113.1 | 174.3 | -172.2 | 0 | 0 | 0 | 0 | 108.6 | Y782 P810 F814 K815 Y855 F856 | Y782-V817 HydrophobicContact CD2-CG2 4.43Å; Y782-V817 HydrophobicContact CG-CG2 4.03Å; P810-V817 HydrophobicContact CB-CG1 3.64Å; F814-V817 HydrophobicContact CB-CG2 3.66Å; F814-V817 WeakPolarHBondContact O-CG2 3.41Å; K815-V817 VanDerWaalsContact C-N 3.26Å; K815-V817 PolarHBondContact O-N 3.37Å; V817-Y855 HydrophobicContact CB-CE1 4.46Å; V817-Y855 HydrophobicContact CG1-CD1 4.18Å; V817-Y855 HydrophobicContact CG1-CE1 3.61Å; V817-F856 HydrophobicContact CG1-CE2 4.07Å; V817-F856 HydrophobicContact CG1-CZ 3.93Å | ||
| 818 | T | 95.5 | Very high | 94.7 | Very high | 27 Ų | 27 | 52.4 Ų | 52.4 | 17% | 0.166 | 27% | 0.27 | C | S | . | . | trans | -135.8 | 155.2 | 175.6 | 69.5 | 0 | 0 | 0 | 0 | 109.6 | G816 Q820 E821 C822 F856 | G816-T818 PolarHBondContact O-N 2.95Å; T818-Q820 PolarHBondContact O-N 3.2Å; T818-E821 PolarHBondContact O-N 3.13Å; T818-E821 WeakPolarHBondContact OG1-CB 3.46Å; T818-E821 WeakPolarHBondContact OG1-CG 3.34Å; T818-E821 PolarHBondContact OG1-N 2.77Å; T818-E821 VanDerWaalsContact OG1-N 3.14Å; T818-C822 PolarHBondContact O-N 3.29Å; T818-F856 VanDerWaalsContact C-CZ 3.45Å | ||
| 819 | W | 95.7 | Very high | 94.7 | Very high | 11 Ų | 11 | 51.8 Ų | 51.8 | 4% | 0.042 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -64.8 | -30.4 | 178.1 | 73.6 | -105.2 | 0 | 0 | 0 | 110.8 | D430 Y434 C822 R823 F856 A859 F862 | D430-W819 PolarHBondContact O-NE1 3.35Å; Y434-W819 HydrophobicContact CE2-CH2 4.11Å; Y434-W819 AromaticContact CZ-CH2 3.73Å; Y434-W819 WeakPolarHBondContact OH-CH2 3.38Å; Y434-W819 WeakPolarHBondContact OH-CZ2 3.25Å; W819-C822 PolarHBondContact O-N 3.16Å; W819-R823 WeakPolarHBondContact O-CB 3.44Å; W819-R823 PolarHBondContact O-N 2.83Å; W819-F856 HydrophobicContact CB-CB 4.25Å; W819-F856 HydrophobicContact CB-CD1 4.04Å; W819-F856 HydrophobicContact CB-CD2 3.87Å; W819-F856 HydrophobicContact CB-CE1 4.33Å; W819-F856 HydrophobicContact CB-CE2 4.15Å; W819-F856 HydrophobicContact CB-CG 3.8Å; W819-F856 HydrophobicContact CB-CZ 4.37Å; W819-A859 HydrophobicContact CB-CB 4Å; W819-A859 HydrophobicContact CD2-CB 4.49Å; W819-A859 HydrophobicContact CG-CB 4.23Å; W819-F862 HydrophobicContact CB-CE2 3.97Å; W819-F862 HydrophobicContact CB-CZ 4.38Å; W819-F862 WeakPolarHBondContact O-CZ 3.45Å |
| 820 | Q | 96 | Very high | 94.6 | Very high | 87 Ų | 87 | 54 Ų | 54 | 41% | 0.407 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -64.6 | -45.8 | 175.5 | -63.7 | 89.3 | -18.6 | 0 | 0 | 112.2 | T818 R823 T824 | T818-Q820 PolarHBondContact O-N 3.2Å; Q820-R823 PolarHBondContact O-N 2.95Å; Q820-T824 PolarHBondContact O-N 3.41Å; Q820-T824 PolarHBondContact O-OG1 2.91Å |
| 821 | E | 96.1 | Very high | 94.3 | Very high | 74 Ų | 74 | 56.4 Ų | 56.4 | 35% | 0.346 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -65 | -44.3 | 176.5 | -72.1 | -58.2 | 150.8 | 0 | 0 | 110.9 | T818 R823 T824 C825 | T818-E821 PolarHBondContact O-N 3.13Å; T818-E821 WeakPolarHBondContact OG1-CB 3.46Å; T818-E821 WeakPolarHBondContact OG1-CG 3.34Å; T818-E821 PolarHBondContact OG1-N 2.77Å; T818-E821 VanDerWaalsContact OG1-N 3.14Å; E821-R823 VanDerWaalsContact C-N 3.33Å; E821-R823 PolarHBondContact O-N 2.99Å; E821-T824 WeakPolarHBondContact O-CB 3.4Å; E821-T824 PolarHBondContact O-N 3.08Å; E821-C825 WeakPolarHBondContact O-CB 3.47Å; E821-C825 PolarHBondContact O-N 3.31Å; E821-C825 PolarHBondContact O-SG 3.15Å |
| 822 | C | 97.7 | Very high | 94 | Very high | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -61.8 | -38.2 | 175 | -75.4 | 0 | 0 | 0 | 0 | 112.7 | Y782 T818 W819 C825 L826 F856 F862 | Y782-C822 VanDerWaalsContact CE1-SG 3.51Å; T818-C822 PolarHBondContact O-N 3.29Å; W819-C822 PolarHBondContact O-N 3.16Å; C822-C825 PolarHBondContact O-N 2.96Å; C822-L826 WeakPolarHBondContact O-CB 3.46Å; C822-L826 PolarHBondContact O-N 3.36Å; C822-F856 HydrophobicContact CB-CE2 4.45Å; C822-F862 HydrophobicContact CB-CE1 3.93Å; C822-F862 HydrophobicContact CB-CE2 4.4Å; C822-F862 HydrophobicContact CB-CZ 3.45Å; C822-F862 VanDerWaalsContact CB-CZ 3.45Å |
| 823 | R | 96.7 | Very high | 93.7 | Very high | 70 Ų | 70 | 52.9 Ų | 52.9 | 26% | 0.264 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -61 | -48 | 172.5 | 174.8 | -179.1 | 174 | 169.1 | 0.8 | 110.7 | D507 W819 Q820 E821 C825 L826 D827 A861 | D507-R823 IonicContact OD1-NH2 2.57Å; D507-R823 IonicContact OD2-CZ 3.2Å; D507-R823 IonicContact OD2-NH2 2.84Å; D507-R823 PolarHBondContact OD2-NH2 3.29Å; W819-R823 WeakPolarHBondContact O-CB 3.44Å; W819-R823 PolarHBondContact O-N 2.83Å; Q820-R823 PolarHBondContact O-N 2.95Å; E821-R823 VanDerWaalsContact C-N 3.33Å; E821-R823 PolarHBondContact O-N 2.99Å; R823-C825 VanDerWaalsContact C-N 3.31Å; R823-C825 PolarHBondContact O-N 3.24Å; R823-L826 PolarHBondContact O-N 2.65Å; R823-D827 PolarHBondContact O-N 3.08Å; R823-A861 HydrophobicContact CB-CB 4.2Å; R823-A861 HydrophobicContact CG-CB 4.13Å |
| 824 | T | 95.1 | Very high | 93.2 | Very high | 63 Ų | 63 | 47 Ų | 47 | 39% | 0.387 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -58.7 | -45.2 | 178 | -59 | 0 | 0 | 0 | 0 | 111.1 | Q820 E821 D827 I828 | Q820-T824 PolarHBondContact O-N 3.41Å; Q820-T824 PolarHBondContact O-OG1 2.91Å; E821-T824 WeakPolarHBondContact O-CB 3.4Å; E821-T824 PolarHBondContact O-N 3.08Å; T824-D827 PolarHBondContact O-N 2.9Å; T824-I828 HydrophobicContact CG2-CD1 4.03Å; T824-I828 VanDerWaalsContact O-CD1 3.26Å; T824-I828 WeakPolarHBondContact O-CD1 3.46Å; T824-I828 VanDerWaalsContact O-CG1 3.27Å; T824-I828 WeakPolarHBondContact O-CG1 3.34Å; T824-I828 PolarHBondContact O-N 3.43Å |
| 825 | C | 96.3 | Very high | 92.7 | Very high | 4 Ų | 4 | 47.2 Ų | 47.2 | 3% | 0.027 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -59.6 | -47 | 175 | -68.4 | 0 | 0 | 0 | 0 | 112.7 | F786 E821 C822 R823 D827 I828 L829 Y848 | F786-C825 HydrophobicContact CD1-CB 4.15Å; F786-C825 WeakPolarHBondContact CD1-SG 3.23Å; F786-C825 HydrophobicContact CD2-CB 4.03Å; F786-C825 HydrophobicContact CE1-CB 3.71Å; F786-C825 VanDerWaalsContact CE1-SG 3.6Å; F786-C825 HydrophobicContact CE2-CB 3.59Å; F786-C825 HydrophobicContact CG-CB 4.3Å; F786-C825 VanDerWaalsContact CG-SG 3.59Å; F786-C825 HydrophobicContact CZ-CB 3.43Å; F786-C825 VanDerWaalsContact CZ-CB 3.43Å; E821-C825 WeakPolarHBondContact O-CB 3.47Å; E821-C825 PolarHBondContact O-N 3.31Å; E821-C825 PolarHBondContact O-SG 3.15Å; C822-C825 PolarHBondContact O-N 2.96Å; R823-C825 VanDerWaalsContact C-N 3.31Å; R823-C825 PolarHBondContact O-N 3.24Å; C825-D827 VanDerWaalsContact C-N 3.31Å; C825-D827 PolarHBondContact O-N 3.36Å; C825-I828 PolarHBondContact O-N 3.41Å; C825-L829 WeakPolarHBondContact O-CG 3.5Å; C825-L829 PolarHBondContact O-N 2.88Å; C825-L829 VanDerWaalsContact O-N 3.1Å; C825-Y848 HydrophobicContact CB-CE1 4.09Å; C825-Y848 WeakPolarHBondContact CB-OH 3.48Å |
| 826 | L | 96.5 | Very high | 92.3 | Very high | 2 Ų | 2 | 46 Ų | 46 | 1% | 0.01 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -60.3 | -41.4 | 175.7 | 178.6 | 60.6 | 0 | 0 | 0 | 111.6 | C822 R823 L829 R830 I845 Y848 R849 F862 | C822-L826 WeakPolarHBondContact O-CB 3.46Å; C822-L826 PolarHBondContact O-N 3.36Å; R823-L826 PolarHBondContact O-N 2.65Å; L826-L829 PolarHBondContact O-N 3.09Å; L826-R830 WeakPolarHBondContact O-CG 3.32Å; L826-R830 PolarHBondContact O-N 2.92Å; L826-I845 HydrophobicContact CD1-CG2 3.88Å; L826-Y848 HydrophobicContact CB-CD1 4.23Å; L826-Y848 HydrophobicContact CB-CE1 4.06Å; L826-Y848 HydrophobicContact CD1-CD1 4.14Å; L826-R849 HydrophobicContact CD1-CB 4.27Å; L826-R849 HydrophobicContact CD2-CB 4.43Å; L826-R849 HydrophobicContact CD2-CG 4.29Å; L826-F862 HydrophobicContact CD2-CD1 4.04Å; L826-F862 HydrophobicContact CD2-CE1 4.42Å |
| 827 | D | 93.8 | Very high | 92.2 | Very high | 42 Ų | 42 | 44.3 Ų | 44.3 | 23% | 0.225 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -63.4 | -43 | 176 | -75.9 | -17.1 | 0 | 0 | 0 | 111.4 | R823 T824 C825 L829 R830 K831 | R823-D827 PolarHBondContact O-N 3.08Å; T824-D827 PolarHBondContact O-N 2.9Å; C825-D827 VanDerWaalsContact C-N 3.31Å; C825-D827 PolarHBondContact O-N 3.36Å; D827-L829 VanDerWaalsContact C-N 3.3Å; D827-L829 PolarHBondContact O-N 2.83Å; D827-R830 PolarHBondContact O-N 3.03Å; D827-K831 VanDerWaalsContact O-CB 3.32Å; D827-K831 WeakPolarHBondContact O-CB 3.38Å; D827-K831 WeakPolarHBondContact O-CG 3.5Å; D827-K831 PolarHBondContact O-N 3.33Å |
| 828 | I | 94.2 | Very high | 91.8 | Very high | 31 Ų | 31 | 44.6 Ų | 44.6 | 16% | 0.159 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -58.6 | -43.5 | 176.2 | -66.1 | 149.2 | 0 | 0 | 0 | 111.1 | F786 L790 T824 C825 K831 G832 | F786-I828 HydrophobicContact CE1-CD1 4.11Å; L790-I828 HydrophobicContact CD1-CG2 3.55Å; T824-I828 HydrophobicContact CG2-CD1 4.03Å; T824-I828 VanDerWaalsContact O-CD1 3.26Å; T824-I828 WeakPolarHBondContact O-CD1 3.46Å; T824-I828 VanDerWaalsContact O-CG1 3.27Å; T824-I828 WeakPolarHBondContact O-CG1 3.34Å; T824-I828 PolarHBondContact O-N 3.43Å; C825-I828 PolarHBondContact O-N 3.41Å; I828-K831 CarbonylContact O-C 3.55Å; I828-K831 PolarHBondContact O-N 2.9Å; I828-G832 PolarHBondContact O-N 2.89Å |
| 829 | L | 95.2 | Very high | 91.4 | Very high | 1 Ų | 1 | 52.1 Ų | 52.1 | 1% | 0.005 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63.8 | -43.9 | 177.9 | -64.8 | 175 | 0 | 0 | 0 | 112.3 | F786 L790 L804 I807 C825 L826 D827 K831 G832 I845 Y848 | F786-L829 HydrophobicContact CE2-CD1 4.4Å; F786-L829 HydrophobicContact CZ-CD1 4.44Å; F786-L829 HydrophobicContact CZ-CD2 4.31Å; F786-L829 HydrophobicContact CZ-CG 4.12Å; L790-L829 HydrophobicContact CD2-CD2 4.29Å; L804-L829 HydrophobicContact CD2-CD2 4.4Å; I807-L829 HydrophobicContact CD1-CD1 4.11Å; I807-L829 HydrophobicContact CD1-CD2 3.6Å; I807-L829 HydrophobicContact CD1-CG 4.34Å; C825-L829 WeakPolarHBondContact O-CG 3.5Å; C825-L829 PolarHBondContact O-N 2.88Å; C825-L829 VanDerWaalsContact O-N 3.1Å; L826-L829 PolarHBondContact O-N 3.09Å; D827-L829 VanDerWaalsContact C-N 3.3Å; D827-L829 PolarHBondContact O-N 2.83Å; L829-K831 VanDerWaalsContact C-N 3.32Å; L829-K831 PolarHBondContact O-N 3.16Å; L829-G832 PolarHBondContact O-N 2.92Å; L829-I845 HydrophobicContact CB-CG1 4.29Å; L829-Y848 HydrophobicContact CD1-CD1 4.07Å; L829-Y848 HydrophobicContact CD1-CD2 4.31Å; L829-Y848 HydrophobicContact CD1-CG 3.93Å |
| 830 | R | 93.1 | Very high | 91.2 | Very high | 109 Ų | 109 | 51.9 Ų | 51.9 | 41% | 0.411 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -62.9 | -39.5 | 176.3 | -74.3 | 172.7 | 169.3 | 169.3 | -3.8 | 112 | L826 D827 G832 I845 | L826-R830 WeakPolarHBondContact O-CG 3.32Å; L826-R830 PolarHBondContact O-N 2.92Å; D827-R830 PolarHBondContact O-N 3.03Å; R830-G832 VanDerWaalsContact C-N 3.3Å; R830-I845 HydrophobicContact CG-CG2 4.09Å |
| 831 | K | 90.1 | Very high | 90.9 | Very high | 62 Ų | 62 | 52 Ų | 52 | 27% | 0.27 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -83.4 | -3.4 | -179.4 | -60.4 | -172.9 | -176.5 | 167.3 | 0 | 113.4 | D827 I828 L829 Q833 W834 | D827-K831 VanDerWaalsContact O-CB 3.32Å; D827-K831 WeakPolarHBondContact O-CB 3.38Å; D827-K831 WeakPolarHBondContact O-CG 3.5Å; D827-K831 PolarHBondContact O-N 3.33Å; I828-K831 CarbonylContact O-C 3.55Å; I828-K831 PolarHBondContact O-N 2.9Å; L829-K831 VanDerWaalsContact C-N 3.32Å; L829-K831 PolarHBondContact O-N 3.16Å; K831-Q833 PolarHBondContact O-N 3.25Å; K831-Q833 VanDerWaalsContact O-N 3.09Å; K831-W834 HydrophobicContact CB-CE3 3.62Å; K831-W834 HydrophobicContact CB-CZ3 3.88Å; K831-W834 HydrophobicContact CD-CE3 4.26Å; K831-W834 HydrophobicContact CD-CZ3 3.97Å; K831-W834 HydrophobicContact CG-CE3 3.69Å; K831-W834 HydrophobicContact CG-CH2 4.36Å; K831-W834 HydrophobicContact CG-CZ3 3.4Å; K831-W834 WeakPolarHBondContact O-CB 3.45Å; K831-W834 PolarHBondContact O-N 3.46Å |
| 832 | G | 86.7 | Confident | 90.8 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 26% | 0.261 | C | S | . | . | G | 310 helix | trans | -50.9 | -39.3 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | I828 L829 R830 W834 T835 G838 | I828-G832 PolarHBondContact O-N 2.89Å; L829-G832 PolarHBondContact O-N 2.92Å; R830-G832 VanDerWaalsContact C-N 3.3Å; G832-W834 PolarHBondContact O-N 3.04Å; G832-T835 PolarHBondContact O-N 2.91Å; G832-T835 PolarHBondContact O-OG1 3.03Å; G832-G838 CarbonylContact C-O 3.38Å; G832-G838 CarbonylContact O-C 3.19Å; G832-G838 PolarHBondContact O-N 3.23Å; G832-G838 VanDerWaalsContact O-N 3.07Å |
| 833 | Q | 84.5 | Confident | 90.6 | Very high | 100 Ų | 100 | 56.6 Ų | 56.6 | 47% | 0.467 | 29% | 0.288 | S | S | . | . | G | 310 helix | trans | -57.6 | -21 | 177.1 | 58.7 | 174.3 | 0.8 | 0 | 0 | 115 | K831 G838 R839 | K831-Q833 PolarHBondContact O-N 3.25Å; K831-Q833 VanDerWaalsContact O-N 3.09Å; Q833-G838 PolarHBondContact N-O 3.06Å; Q833-R839 HydrophobicContact CB-CB 4.17Å |
| 834 | W | 81.9 | Confident | 90.5 | Very high | 61 Ų | 61 | 53.9 Ų | 53.9 | 23% | 0.231 | 28% | 0.279 | C | S | . | . | G | 310 helix | trans | -100.5 | 6 | -179.9 | -51.3 | -41 | 0 | 0 | 0 | 113.3 | Q577 S580 Q581 K831 G832 | Q577-W834 HydrophobicContact CG-CE3 4.48Å; Q577-W834 HydrophobicContact CG-CZ3 4.18Å; S580-W834 PolarHBondContact OG-O 3.18Å; Q581-W834 VanDerWaalsContact OE1-CZ2 3.24Å; K831-W834 HydrophobicContact CB-CE3 3.62Å; K831-W834 HydrophobicContact CB-CZ3 3.88Å; K831-W834 HydrophobicContact CD-CE3 4.26Å; K831-W834 HydrophobicContact CD-CZ3 3.97Å; K831-W834 HydrophobicContact CG-CE3 3.69Å; K831-W834 HydrophobicContact CG-CH2 4.36Å; K831-W834 HydrophobicContact CG-CZ3 3.4Å; K831-W834 WeakPolarHBondContact O-CB 3.45Å; K831-W834 PolarHBondContact O-N 3.46Å; G832-W834 PolarHBondContact O-N 3.04Å |
| 835 | T | 84.6 | Confident | 90.5 | Very high | 52 Ų | 52 | 52.3 Ų | 52.3 | 32% | 0.319 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -128.2 | 176.3 | -176.9 | 70 | 0 | 0 | 0 | 0 | 109.8 | G832 L837 G838 | G832-T835 PolarHBondContact O-N 2.91Å; G832-T835 PolarHBondContact O-OG1 3.03Å; T835-L837 PolarHBondContact O-N 3.33Å; T835-L837 VanDerWaalsContact O-N 3.13Å; T835-L837 WeakPolarHBondContact OG1-CB 3.48Å; T835-L837 PolarHBondContact OG1-N 3.41Å; T835-G838 PolarHBondContact O-N 2.72Å; T835-G838 VanDerWaalsContact O-N 3.17Å |
| 836 | L | 83.7 | Confident | 90.5 | Very high | 104 Ų | 104 | 56.5 Ų | 56.5 | 55% | 0.545 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -17.1 | 173.6 | -68.9 | 167.9 | 0 | 0 | 0 | 113.3 | R730 L794 G838 | R730-L836 HydrophobicContact CG-CD1 4.23Å; L794-L836 HydrophobicContact CD2-CB 3.88Å; L836-G838 PolarHBondContact O-N 2.94Å |
| 837 | L | 87.2 | Confident | 90.5 | Very high | 10 Ų | 10 | 61.6 Ų | 61.6 | 5% | 0.052 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64 | -29.3 | 175.7 | -171.8 | 64.1 | 0 | 0 | 0 | 112.2 | L790 C793 R800 L804 T835 | L790-L837 HydrophobicContact CD2-CD1 4.1Å; L790-L837 HydrophobicContact CD2-CD2 3.84Å; C793-L837 HydrophobicContact CB-CD1 3.73Å; R800-L837 PolarHBondContact NE-O 2.92Å; R800-L837 PolarHBondContact NH2-O 3.3Å; L804-L837 HydrophobicContact CD2-CD1 4.36Å; T835-L837 PolarHBondContact O-N 3.33Å; T835-L837 VanDerWaalsContact O-N 3.13Å; T835-L837 WeakPolarHBondContact OG1-CB 3.48Å; T835-L837 PolarHBondContact OG1-N 3.41Å |
| 838 | G | 86.5 | Confident | 90.7 | Very high | 26 Ų | 26 | 59.7 Ų | 59.7 | 27% | 0.268 | 30% | 0.299 | S | S | . | . | trans | 71.1 | 179.2 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | R800 G832 Q833 T835 L836 C840 | R800-G838 PolarHBondContact NH2-O 3.11Å; G832-G838 CarbonylContact C-O 3.38Å; G832-G838 CarbonylContact O-C 3.19Å; G832-G838 PolarHBondContact O-N 3.23Å; G832-G838 VanDerWaalsContact O-N 3.07Å; Q833-G838 PolarHBondContact N-O 3.06Å; T835-G838 PolarHBondContact O-N 2.72Å; T835-G838 VanDerWaalsContact O-N 3.17Å; L836-G838 PolarHBondContact O-N 2.94Å; G838-C840 PolarHBondContact O-N 3.24Å | ||
| 839 | R | 88.9 | Confident | 90.8 | Very high | 185 Ų | 185 | 59.3 Ų | 59.3 | 70% | 0.698 | 30% | 0.296 | S | S | * | . | P | Polyproline II helix | trans | -64.1 | 125.3 | -176.1 | -174.1 | 178.1 | 179.6 | 179.9 | 0.8 | 111.1 | R800 Q833 | R800-R839 PolarHBondContact NH2-O 3.15Å; Q833-R839 HydrophobicContact CB-CB 4.17Å |
| 840 | C | 90.1 | Very high | 90.9 | Very high | 7 Ų | 7 | 62 Ų | 62 | 5% | 0.047 | 32% | 0.315 | C | S | . | . | P | Polyproline II helix | trans | -88.5 | 144.5 | 172.8 | -63.9 | 0 | 0 | 0 | 0 | 110.2 | G838 I845 | G838-C840 PolarHBondContact O-N 3.24Å; C840-I845 HydrophobicContact CB-CD1 4.12Å; C840-I845 HydrophobicContact CB-CG1 4.19Å |
| 841 | D | 91.2 | Very high | 91.1 | Very high | 88 Ų | 88 | 57.8 Ų | 57.8 | 47% | 0.471 | 30% | 0.303 | S | S | . | . | P | Polyproline II helix | trans | -64.6 | 137.1 | 176.7 | -72.1 | -25.5 | 0 | 0 | 0 | 111.4 | S843 V844 I845 | D841-S843 PolarHBondContact O-N 3.03Å; D841-V844 HydrophobicContact CB-CG2 4.15Å; D841-V844 PolarHBondContact O-N 3.2Å; D841-I845 PolarHBondContact O-N 3.01Å |
| 842 | S | 92.5 | Very high | 91.5 | Very high | 88 Ų | 88 | 54.8 Ų | 54.8 | 62% | 0.615 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -59.2 | -30.9 | 179.6 | -56.3 | 0 | 0 | 0 | 0 | 112.5 | E846 | S842-E846 VanDerWaalsContact O-CB 3.23Å; S842-E846 WeakPolarHBondContact O-CB 3.37Å; S842-E846 PolarHBondContact O-N 2.99Å |
| 843 | S | 94.4 | Very high | 92 | Very high | 83 Ų | 83 | 56.8 Ų | 56.8 | 58% | 0.58 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -66 | -37 | 176.4 | 55.4 | 0 | 0 | 0 | 0 | 112.8 | D841 K847 | D841-S843 PolarHBondContact O-N 3.03Å; S843-K847 VanDerWaalsContact O-CB 3.25Å; S843-K847 WeakPolarHBondContact O-CB 3.45Å; S843-K847 PolarHBondContact O-N 3.11Å |
| 844 | V | 94.2 | Very high | 92.6 | Very high | 13 Ų | 13 | 59.8 Ų | 59.8 | 8% | 0.079 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -69.2 | -46.5 | 177 | 175.3 | 0 | 0 | 0 | 0 | 110.1 | L804 D841 E846 K847 Y848 | L804-V844 HydrophobicContact CB-CG1 4.47Å; L804-V844 VanDerWaalsContact O-CG1 3.31Å; L804-V844 WeakPolarHBondContact O-CG1 3.44Å; D841-V844 HydrophobicContact CB-CG2 4.15Å; D841-V844 PolarHBondContact O-N 3.2Å; V844-E846 VanDerWaalsContact C-N 3.3Å; V844-E846 PolarHBondContact O-N 3.36Å; V844-K847 PolarHBondContact O-N 3.24Å; V844-Y848 WeakPolarHBondContact O-CB 3.29Å; V844-Y848 PolarHBondContact O-N 3.46Å |
| 845 | I | 95.3 | Very high | 93.3 | Very high | 31 Ų | 31 | 60.5 Ų | 60.5 | 16% | 0.159 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -59.1 | -45 | 177.1 | -62.2 | 173.8 | 0 | 0 | 0 | 110.2 | L826 L829 R830 C840 D841 Y848 R849 | L826-I845 HydrophobicContact CD1-CG2 3.88Å; L829-I845 HydrophobicContact CB-CG1 4.29Å; R830-I845 HydrophobicContact CG-CG2 4.09Å; C840-I845 HydrophobicContact CB-CD1 4.12Å; C840-I845 HydrophobicContact CB-CG1 4.19Å; D841-I845 PolarHBondContact O-N 3.01Å; I845-Y848 PolarHBondContact O-N 3Å; I845-R849 WeakPolarHBondContact O-CB 3.43Å; I845-R849 PolarHBondContact O-N 3.23Å |
| 846 | E | 96.1 | Very high | 93.9 | Very high | 92 Ų | 92 | 59.6 Ų | 59.6 | 43% | 0.43 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -69.5 | -41.3 | -178.5 | -177.8 | 56.2 | -162.4 | 0 | 0 | 112.7 | S842 V844 Y848 R849 S850 | S842-E846 VanDerWaalsContact O-CB 3.23Å; S842-E846 WeakPolarHBondContact O-CB 3.37Å; S842-E846 PolarHBondContact O-N 2.99Å; V844-E846 VanDerWaalsContact C-N 3.3Å; V844-E846 PolarHBondContact O-N 3.36Å; E846-Y848 VanDerWaalsContact C-N 3.31Å; E846-Y848 PolarHBondContact O-N 2.81Å; E846-R849 PolarHBondContact O-N 2.76Å; E846-R849 IonicContact OE1-CZ 3Å; E846-R849 IonicContact OE1-NE 3.2Å; E846-R849 PolarHBondContact OE1-NE 2.8Å; E846-R849 IonicContact OE1-NH2 3.79Å; E846-R849 PolarHBondContact OE1-NH2 3.01Å; E846-R849 IonicContact OE2-CZ 3.63Å; E846-R849 IonicContact OE2-NE 2.74Å; E846-R849 PolarHBondContact OE2-NE 2.63Å; E846-R849 IonicContact OE2-NH2 3.81Å; E846-S850 WeakPolarHBondContact O-CB 3.47Å; E846-S850 PolarHBondContact O-N 3.36Å |
| 847 | K | 96.5 | Very high | 94.4 | Very high | 109 Ų | 109 | 59.2 Ų | 59.2 | 47% | 0.474 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -57.7 | -45.5 | 172.2 | 179.7 | -174.4 | 174.3 | -169.6 | 0 | 111.1 | T805 S843 V844 S850 A851 | T805-K847 PolarHBondContact O-NZ 3.35Å; S843-K847 VanDerWaalsContact O-CB 3.25Å; S843-K847 WeakPolarHBondContact O-CB 3.45Å; S843-K847 PolarHBondContact O-N 3.11Å; V844-K847 PolarHBondContact O-N 3.24Å; K847-S850 PolarHBondContact O-N 2.76Å; K847-A851 PolarHBondContact O-N 3.15Å |
| 848 | Y | 97.3 | Very high | 94.9 | Very high | 1 Ų | 1 | 61 Ų | 61 | 0% | 0.004 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -65.7 | -46.9 | 178.9 | -173.9 | -90.7 | 0 | 0 | 0 | 112 | Y782 F786 I807 L809 C825 L826 L829 V844 I845 E846 S850 A851 C852 | Y782-Y848 WeakPolarHBondContact OH-CE2 3.47Å; Y782-Y848 VanDerWaalsContact OH-CZ 3.31Å; Y782-Y848 PolarHBondContact OH-OH 3.33Å; F786-Y848 HydrophobicContact CD2-CE2 4.34Å; F786-Y848 HydrophobicContact CE2-CE2 4.01Å; I807-Y848 HydrophobicContact CG2-CD2 3.92Å; L809-Y848 HydrophobicContact CD2-CD2 3.89Å; C825-Y848 HydrophobicContact CB-CE1 4.09Å; C825-Y848 WeakPolarHBondContact CB-OH 3.48Å; L826-Y848 HydrophobicContact CB-CD1 4.23Å; L826-Y848 HydrophobicContact CB-CE1 4.06Å; L826-Y848 HydrophobicContact CD1-CD1 4.14Å; L829-Y848 HydrophobicContact CD1-CD1 4.07Å; L829-Y848 HydrophobicContact CD1-CD2 4.31Å; L829-Y848 HydrophobicContact CD1-CG 3.93Å; V844-Y848 WeakPolarHBondContact O-CB 3.29Å; V844-Y848 PolarHBondContact O-N 3.46Å; I845-Y848 PolarHBondContact O-N 3Å; E846-Y848 VanDerWaalsContact C-N 3.31Å; E846-Y848 PolarHBondContact O-N 2.81Å; Y848-S850 VanDerWaalsContact C-N 3.34Å; Y848-S850 PolarHBondContact O-N 3.32Å; Y848-A851 PolarHBondContact O-N 3.22Å; Y848-C852 WeakPolarHBondContact CE1-SG 3.42Å; Y848-C852 PolarHBondContact O-N 2.66Å; Y848-C852 PolarHBondContact O-SG 3.35Å |
| 849 | R | 97.4 | Very high | 95.4 | Very high | 24 Ų | 24 | 59.8 Ų | 59.8 | 9% | 0.091 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -55.9 | -48.4 | 174.7 | -176.2 | -160.1 | 69.7 | 82.8 | -0.7 | 111 | L826 I845 E846 A851 C852 N853 F862 | L826-R849 HydrophobicContact CD1-CB 4.27Å; L826-R849 HydrophobicContact CD2-CB 4.43Å; L826-R849 HydrophobicContact CD2-CG 4.29Å; I845-R849 WeakPolarHBondContact O-CB 3.43Å; I845-R849 PolarHBondContact O-N 3.23Å; E846-R849 PolarHBondContact O-N 2.76Å; E846-R849 IonicContact OE1-CZ 3Å; E846-R849 IonicContact OE1-NE 3.2Å; E846-R849 PolarHBondContact OE1-NE 2.8Å; E846-R849 IonicContact OE1-NH2 3.79Å; E846-R849 PolarHBondContact OE1-NH2 3.01Å; E846-R849 IonicContact OE2-CZ 3.63Å; E846-R849 IonicContact OE2-NE 2.74Å; E846-R849 PolarHBondContact OE2-NE 2.63Å; E846-R849 IonicContact OE2-NH2 3.81Å; R849-A851 PolarHBondContact O-N 3.35Å; R849-C852 PolarHBondContact O-N 3.05Å; R849-N853 WeakPolarHBondContact O-CB 3.28Å; R849-N853 PolarHBondContact O-N 2.98Å; R849-F862 WeakPolarHBondContact CD-O 3.38Å; R849-F862 HydrophobicContact CG-CB 4.46Å; R849-F862 VanDerWaalsContact CG-O 3.29Å; R849-F862 WeakPolarHBondContact CG-O 3.49Å; R849-F862 PolarHBondContact NH1-O 3.16Å |
| 850 | S | 97.5 | Very high | 95.8 | Very high | 58 Ų | 58 | 51.6 Ų | 51.6 | 41% | 0.406 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -61.3 | -43.8 | -179.7 | -173.3 | 0 | 0 | 0 | 0 | 112.2 | E846 K847 Y848 C852 N853 E854 | E846-S850 WeakPolarHBondContact O-CB 3.47Å; E846-S850 PolarHBondContact O-N 3.36Å; K847-S850 PolarHBondContact O-N 2.76Å; Y848-S850 VanDerWaalsContact C-N 3.34Å; Y848-S850 PolarHBondContact O-N 3.32Å; S850-C852 VanDerWaalsContact C-N 3.33Å; S850-C852 PolarHBondContact O-N 3.26Å; S850-N853 PolarHBondContact O-N 3.13Å; S850-E854 PolarHBondContact O-N 3.41Å |
| 851 | A | 97.4 | Very high | 96 | Very high | 19 Ų | 19 | 52.4 Ų | 52.4 | 16% | 0.157 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -64.6 | -38.5 | 177 | 0 | 0 | 0 | 0 | 0 | 112 | L809 K847 Y848 R849 E854 Y855 | L809-A851 HydrophobicContact CB-CB 4.47Å; L809-A851 HydrophobicContact CD1-CB 4.06Å; L809-A851 HydrophobicContact CD2-CB 3.92Å; L809-A851 HydrophobicContact CG-CB 4.38Å; K847-A851 PolarHBondContact O-N 3.15Å; Y848-A851 PolarHBondContact O-N 3.22Å; R849-A851 PolarHBondContact O-N 3.35Å; A851-E854 PolarHBondContact O-N 3.13Å; A851-Y855 PolarHBondContact O-N 3.17Å; A851-Y855 VanDerWaalsContact O-N 3.1Å |
| 852 | C | 97.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -65.9 | -38.4 | 174.1 | -64.6 | 0 | 0 | 0 | 0 | 112.1 | Y848 R849 S850 Y855 F856 F862 | Y848-C852 WeakPolarHBondContact CE1-SG 3.42Å; Y848-C852 PolarHBondContact O-N 2.66Å; Y848-C852 PolarHBondContact O-SG 3.35Å; R849-C852 PolarHBondContact O-N 3.05Å; S850-C852 VanDerWaalsContact C-N 3.33Å; S850-C852 PolarHBondContact O-N 3.26Å; C852-Y855 PolarHBondContact O-N 3.31Å; C852-F856 WeakPolarHBondContact O-CB 3.42Å; C852-F856 PolarHBondContact O-N 3.45Å; C852-F862 HydrophobicContact CB-CB 4.37Å; C852-F862 HydrophobicContact CB-CD1 3.41Å; C852-F862 VanDerWaalsContact CB-CD1 3.41Å; C852-F862 HydrophobicContact CB-CD2 3.83Å; C852-F862 HydrophobicContact CB-CE1 3.55Å; C852-F862 HydrophobicContact CB-CE2 3.95Å; C852-F862 HydrophobicContact CB-CG 3.58Å; C852-F862 HydrophobicContact CB-CZ 3.83Å |
| 853 | N | 97.6 | Very high | 96.5 | Very high | 41 Ų | 41 | 45.4 Ų | 45.4 | 22% | 0.219 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -67 | -36.1 | 176.1 | -172 | 71.6 | 0 | 0 | 0 | 112.5 | R849 S850 F856 P857 F862 | R849-N853 WeakPolarHBondContact O-CB 3.28Å; R849-N853 PolarHBondContact O-N 2.98Å; S850-N853 PolarHBondContact O-N 3.13Å; N853-F856 CarbonylContact O-C 3.41Å; N853-P857 WeakPolarHBondContact O-CA 3.22Å; N853-F862 HydrophobicContact CB-CB 3.79Å |
| 854 | E | 97 | Very high | 96.5 | Very high | 163 Ų | 163 | 43.3 Ų | 43.3 | 76% | 0.762 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -66.4 | -40.9 | 174.6 | -174.5 | 178 | 176.7 | 0 | 0 | 111.5 | S850 A851 | S850-E854 PolarHBondContact O-N 3.41Å; A851-E854 PolarHBondContact O-N 3.13Å |
| 855 | Y | 96.3 | Very high | 96.3 | Very high | 76 Ų | 76 | 47.7 Ų | 47.7 | 30% | 0.298 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -78 | -33.8 | -179.6 | -164.7 | -93.3 | 0 | 0 | 0 | 113.1 | P810 D812 V817 A851 C852 P857 | P810-Y855 HydrophobicContact CB-CD1 4.09Å; P810-Y855 HydrophobicContact CB-CG 4.13Å; P810-Y855 HydrophobicContact CG-CG 4.4Å; D812-Y855 WeakPolarHBondContact OD1-CE2 3.41Å; D812-Y855 PolarHBondContact OD1-OH 3.18Å; V817-Y855 HydrophobicContact CB-CE1 4.46Å; V817-Y855 HydrophobicContact CG1-CD1 4.18Å; V817-Y855 HydrophobicContact CG1-CE1 3.61Å; A851-Y855 PolarHBondContact O-N 3.17Å; A851-Y855 VanDerWaalsContact O-N 3.1Å; C852-Y855 PolarHBondContact O-N 3.31Å; Y855-P857 WeakPolarHBondContact O-CD 3.38Å |
| 856 | F | 96.6 | Very high | 96.3 | Very high | 34 Ų | 34 | 49.8 Ų | 49.8 | 15% | 0.149 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -123.7 | 71.9 | 177.8 | -62.9 | -65.3 | 0 | 0 | 0 | 111.2 | V817 T818 W819 C822 C852 N853 M858 A859 F862 | V817-F856 HydrophobicContact CG1-CE2 4.07Å; V817-F856 HydrophobicContact CG1-CZ 3.93Å; T818-F856 VanDerWaalsContact C-CZ 3.45Å; W819-F856 HydrophobicContact CB-CB 4.25Å; W819-F856 HydrophobicContact CB-CD1 4.04Å; W819-F856 HydrophobicContact CB-CD2 3.87Å; W819-F856 HydrophobicContact CB-CE1 4.33Å; W819-F856 HydrophobicContact CB-CE2 4.15Å; W819-F856 HydrophobicContact CB-CG 3.8Å; W819-F856 HydrophobicContact CB-CZ 4.37Å; C822-F856 HydrophobicContact CB-CE2 4.45Å; C852-F856 WeakPolarHBondContact O-CB 3.42Å; C852-F856 PolarHBondContact O-N 3.45Å; N853-F856 CarbonylContact O-C 3.41Å; F856-M858 PolarHBondContact O-N 3.45Å; F856-M858 VanDerWaalsContact O-N 3.17Å; F856-A859 HydrophobicContact CB-CB 3.98Å; F856-A859 PolarHBondContact O-N 2.93Å; F856-A859 VanDerWaalsContact O-N 3.13Å; F856-F862 HydrophobicContact CB-CD2 4.07Å; F856-F862 HydrophobicContact CB-CE2 3.88Å; F856-F862 AromaticContact CD2-CE2 3.86Å; F856-F862 HydrophobicContact CD2-CE2 3.86Å; F856-F862 HydrophobicContact CG-CE2 4.26Å |
| 857 | P | 95.5 | Very high | 96.3 | Very high | 95 Ų | 95 | 49.2 Ų | 49.2 | 62% | 0.617 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66 | -20.8 | -171.3 | 25.6 | -35.6 | 0 | 0 | 0 | 114.8 | N853 Y855 | N853-P857 WeakPolarHBondContact O-CA 3.22Å; Y855-P857 WeakPolarHBondContact O-CD 3.38Å |
| 858 | M | 96.2 | Very high | 96.2 | Very high | 48 Ų | 48 | 45.8 Ų | 45.8 | 24% | 0.236 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | -23.4 | 177.5 | -65.3 | 177.6 | 177.8 | 0 | 0 | 112.7 | Y400 I404 A431 D433 F856 N860 | Y400-M858 HydrophobicContact CD2-SD 4.45Å; I404-M858 HydrophobicContact CD1-CE 4.14Å; A431-M858 HydrophobicContact CB-CB 3.94Å; A431-M858 HydrophobicContact CB-SD 3.87Å; D433-M858 VanDerWaalsContact CB-O 3.22Å; D433-M858 WeakPolarHBondContact CB-O 3.48Å; F856-M858 PolarHBondContact O-N 3.45Å; F856-M858 VanDerWaalsContact O-N 3.17Å; M858-N860 PolarHBondContact O-N 3.03Å |
| 859 | A | 97.5 | Very high | 96.1 | Very high | 1 Ų | 1 | 49.4 Ų | 49.4 | 1% | 0.008 | 27% | 0.273 | C | S | . | . | trans | -73 | 114.9 | -170.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | G432 W819 F856 A861 F862 | G432-A859 WeakPolarHBondContact O-CA 3.47Å; W819-A859 HydrophobicContact CB-CB 4Å; W819-A859 HydrophobicContact CD2-CB 4.49Å; W819-A859 HydrophobicContact CG-CB 4.23Å; F856-A859 HydrophobicContact CB-CB 3.98Å; F856-A859 PolarHBondContact O-N 2.93Å; F856-A859 VanDerWaalsContact O-N 3.13Å; A859-A861 PolarHBondContact O-N 2.89Å; A859-F862 HydrophobicContact CB-CD2 3.85Å; A859-F862 HydrophobicContact CB-CE2 3.88Å; A859-F862 PolarHBondContact O-N 3.06Å | ||
| 860 | N | 96.9 | Very high | 96 | Very high | 12 Ų | 12 | 53 Ų | 53 | 6% | 0.064 | 29% | 0.293 | C | S | . | . | G | 310 helix | trans | -59.1 | -27.4 | -178.4 | -56.9 | 138.6 | 0 | 0 | 0 | 112.6 | G432 D433 Y434 I435 M858 F862 L863 L871 | G432-N860 PolarHBondContact O-N 2.92Å; G432-N860 PolarHBondContact O-OD1 2.85Å; D433-N860 VanDerWaalsContact C-OD1 3.29Å; D433-N860 VanDerWaalsContact CA-OD1 3.31Å; D433-N860 WeakPolarHBondContact CA-OD1 3.38Å; D433-N860 PolarHBondContact OD1-ND2 3.13Å; D433-N860 PolarHBondContact OD1-OD1 2.92Å; Y434-N860 PolarHBondContact N-OD1 3.03Å; I435-N860 PolarHBondContact N-OD1 3.24Å; I435-N860 VanDerWaalsContact N-OD1 3.14Å; M858-N860 PolarHBondContact O-N 3.03Å; N860-F862 PolarHBondContact O-N 2.99Å; N860-L863 WeakPolarHBondContact O-CB 3.37Å; N860-L863 PolarHBondContact O-N 3.12Å; N860-L871 VanDerWaalsContact ND2-CD2 3.3Å; N860-L871 WeakPolarHBondContact ND2-CD2 3.31Å |
| 861 | A | 94.6 | Very high | 96 | Very high | 24 Ų | 24 | 51.9 Ų | 51.9 | 20% | 0.198 | 28% | 0.283 | C | S | . | . | G | 310 helix | trans | -56.3 | -24 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | R823 A859 | R823-A861 HydrophobicContact CB-CB 4.2Å; R823-A861 HydrophobicContact CG-CB 4.13Å; A859-A861 PolarHBondContact O-N 2.89Å |
| 862 | F | 97.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 28% | 0.284 | C | S | . | . | G | 310 helix | trans | -103.1 | -1.7 | -179.2 | -49.5 | -55.5 | 0 | 0 | 0 | 113.7 | W819 C822 L826 R849 C852 N853 F856 A859 N860 | W819-F862 HydrophobicContact CB-CE2 3.97Å; W819-F862 HydrophobicContact CB-CZ 4.38Å; W819-F862 WeakPolarHBondContact O-CZ 3.45Å; C822-F862 HydrophobicContact CB-CE1 3.93Å; C822-F862 HydrophobicContact CB-CE2 4.4Å; C822-F862 HydrophobicContact CB-CZ 3.45Å; C822-F862 VanDerWaalsContact CB-CZ 3.45Å; L826-F862 HydrophobicContact CD2-CD1 4.04Å; L826-F862 HydrophobicContact CD2-CE1 4.42Å; R849-F862 WeakPolarHBondContact CD-O 3.38Å; R849-F862 HydrophobicContact CG-CB 4.46Å; R849-F862 VanDerWaalsContact CG-O 3.29Å; R849-F862 WeakPolarHBondContact CG-O 3.49Å; R849-F862 PolarHBondContact NH1-O 3.16Å; C852-F862 HydrophobicContact CB-CB 4.37Å; C852-F862 HydrophobicContact CB-CD1 3.41Å; C852-F862 VanDerWaalsContact CB-CD1 3.41Å; C852-F862 HydrophobicContact CB-CD2 3.83Å; C852-F862 HydrophobicContact CB-CE1 3.55Å; C852-F862 HydrophobicContact CB-CE2 3.95Å; C852-F862 HydrophobicContact CB-CG 3.58Å; C852-F862 HydrophobicContact CB-CZ 3.83Å; N853-F862 HydrophobicContact CB-CB 3.79Å; F856-F862 HydrophobicContact CB-CD2 4.07Å; F856-F862 HydrophobicContact CB-CE2 3.88Å; F856-F862 AromaticContact CD2-CE2 3.86Å; F856-F862 HydrophobicContact CD2-CE2 3.86Å; F856-F862 HydrophobicContact CG-CE2 4.26Å; A859-F862 HydrophobicContact CB-CD2 3.85Å; A859-F862 HydrophobicContact CB-CE2 3.88Å; A859-F862 PolarHBondContact O-N 3.06Å; N860-F862 PolarHBondContact O-N 2.99Å |
| 863 | L | 96.4 | Very high | 95.7 | Very high | 29 Ų | 29 | 58.4 Ų | 58.4 | 15% | 0.152 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -72.6 | 156 | 172.5 | -63.7 | 179.8 | 0 | 0 | 0 | 111 | N860 Q867 I868 L871 | N860-L863 WeakPolarHBondContact O-CB 3.37Å; N860-L863 PolarHBondContact O-N 3.12Å; L863-Q867 HydrophobicContact CB-CB 3.99Å; L863-Q867 HydrophobicContact CD2-CB 4.4Å; L863-I868 HydrophobicContact CB-CD1 4.27Å; L863-I868 HydrophobicContact CB-CG1 3.64Å; L863-I868 HydrophobicContact CD1-CG1 4.36Å; L863-L871 HydrophobicContact CD1-CD2 3.93Å |
| 864 | T | 94.1 | Very high | 95.6 | Very high | 40 Ų | 40 | 60.1 Ų | 60.1 | 25% | 0.245 | 32% | 0.317 | C | S | . | . | trans | -71.4 | 158 | 168.7 | 65.8 | 0 | 0 | 0 | 0 | 110.3 | S866 Q867 I868 | T864-S866 PolarHBondContact O-N 3.25Å; T864-S866 PolarHBondContact OG1-OG 3.23Å; T864-Q867 WeakPolarHBondContact O-CB 3.49Å; T864-Q867 PolarHBondContact O-N 3.43Å; T864-Q867 WeakPolarHBondContact OG1-CB 3.25Å; T864-Q867 VanDerWaalsContact OG1-CG 3.22Å; T864-Q867 WeakPolarHBondContact OG1-CG 3.36Å; T864-Q867 PolarHBondContact OG1-N 3.46Å; T864-Q867 PolarHBondContact OG1-OE1 3.27Å; T864-I868 WeakPolarHBondContact O-CG1 3.42Å; T864-I868 PolarHBondContact O-N 2.93Å | ||
| 865 | T | 91.2 | Very high | 95.4 | Very high | 104 Ų | 104 | 53.8 Ų | 53.8 | 64% | 0.638 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -53.3 | -43.6 | 175.9 | -46.2 | 0 | 0 | 0 | 0 | 111.7 | Q867 I868 D869 | T865-Q867 PolarHBondContact O-N 3.37Å; T865-I868 WeakPolarHBondContact O-CB 3.24Å; T865-I868 PolarHBondContact O-N 2.89Å; T865-D869 VanDerWaalsContact O-CG 3.29Å; T865-D869 PolarHBondContact O-N 3.07Å |
| 866 | S | 94.5 | Very high | 95.2 | Very high | 75 Ų | 75 | 52.4 Ų | 52.4 | 52% | 0.524 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -61.5 | -41.5 | 176.1 | 54.8 | 0 | 0 | 0 | 0 | 113.5 | T864 D869 I870 | T864-S866 PolarHBondContact O-N 3.25Å; T864-S866 PolarHBondContact OG1-OG 3.23Å; S866-D869 PolarHBondContact O-N 2.95Å; S866-I870 WeakPolarHBondContact O-CD1 3.44Å; S866-I870 VanDerWaalsContact O-CG1 3.24Å; S866-I870 WeakPolarHBondContact O-CG1 3.48Å; S866-I870 PolarHBondContact O-N 2.95Å |
| 867 | Q | 95.9 | Very high | 94.9 | Very high | 81 Ų | 81 | 55.7 Ų | 55.7 | 38% | 0.379 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -66.2 | -40.9 | 176.4 | -75.3 | 171.7 | -32.9 | 0 | 0 | 111.6 | L863 T864 T865 L871 | L863-Q867 HydrophobicContact CB-CB 3.99Å; L863-Q867 HydrophobicContact CD2-CB 4.4Å; T864-Q867 WeakPolarHBondContact O-CB 3.49Å; T864-Q867 PolarHBondContact O-N 3.43Å; T864-Q867 WeakPolarHBondContact OG1-CB 3.25Å; T864-Q867 VanDerWaalsContact OG1-CG 3.22Å; T864-Q867 WeakPolarHBondContact OG1-CG 3.36Å; T864-Q867 PolarHBondContact OG1-N 3.46Å; T864-Q867 PolarHBondContact OG1-OE1 3.27Å; T865-Q867 PolarHBondContact O-N 3.37Å; Q867-L871 VanDerWaalsContact O-CB 3.25Å; Q867-L871 WeakPolarHBondContact O-CB 3.39Å; Q867-L871 PolarHBondContact O-N 2.88Å |
| 868 | I | 95.3 | Very high | 94.6 | Very high | 37 Ų | 37 | 52.1 Ų | 52.1 | 19% | 0.19 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -60.7 | -46.2 | 176.2 | -71 | 174.8 | 0 | 0 | 0 | 110.5 | I435 L863 T864 T865 L871 R872 | I435-I868 HydrophobicContact CD1-CG2 3.89Å; L863-I868 HydrophobicContact CB-CD1 4.27Å; L863-I868 HydrophobicContact CB-CG1 3.64Å; L863-I868 HydrophobicContact CD1-CG1 4.36Å; T864-I868 WeakPolarHBondContact O-CG1 3.42Å; T864-I868 PolarHBondContact O-N 2.93Å; T865-I868 WeakPolarHBondContact O-CB 3.24Å; T865-I868 PolarHBondContact O-N 2.89Å; I868-L871 PolarHBondContact O-N 3.45Å; I868-R872 WeakPolarHBondContact O-CB 3.42Å; I868-R872 PolarHBondContact O-N 3.06Å |
| 869 | D | 94.3 | Very high | 94.1 | Very high | 76 Ų | 76 | 50 Ų | 50 | 41% | 0.406 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -67.3 | -42.5 | -178 | -68.1 | -25.3 | 0 | 0 | 0 | 111.9 | T865 S866 R872 Q873 | T865-D869 VanDerWaalsContact O-CG 3.29Å; T865-D869 PolarHBondContact O-N 3.07Å; S866-D869 PolarHBondContact O-N 2.95Å; D869-R872 PolarHBondContact O-N 3.5Å; D869-R872 IonicContact OD1-CZ 3.9Å; D869-R872 IonicContact OD1-NH1 2.82Å; D869-R872 PolarHBondContact OD1-NH1 3.13Å; D869-Q873 WeakPolarHBondContact O-CB 3.41Å; D869-Q873 PolarHBondContact O-N 2.84Å |
| 870 | I | 96.5 | Very high | 93.5 | Very high | 99 Ų | 99 | 53.8 Ų | 53.8 | 51% | 0.508 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -61.5 | -46.6 | 173.4 | -68.2 | 165.7 | 0 | 0 | 0 | 110.7 | S866 R872 Q873 N874 | S866-I870 WeakPolarHBondContact O-CD1 3.44Å; S866-I870 VanDerWaalsContact O-CG1 3.24Å; S866-I870 WeakPolarHBondContact O-CG1 3.48Å; S866-I870 PolarHBondContact O-N 2.95Å; I870-R872 VanDerWaalsContact C-N 3.33Å; I870-R872 PolarHBondContact O-N 2.92Å; I870-Q873 PolarHBondContact O-N 2.87Å; I870-N874 WeakPolarHBondContact O-CB 3.47Å; I870-N874 PolarHBondContact O-N 3.01Å; I870-N874 PolarHBondContact O-ND2 3.38Å; I870-N874 PolarHBondContact O-OD1 3.43Å |
| 871 | L | 96.7 | Very high | 92.8 | Very high | 35 Ų | 35 | 58 Ų | 58 | 18% | 0.183 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -60.8 | -44 | 178.8 | -179.6 | 62.2 | 0 | 0 | 0 | 111.1 | I435 N860 L863 Q867 I868 N874 M875 | I435-L871 HydrophobicContact CB-CD2 4.2Å; I435-L871 HydrophobicContact CB-CG 4.3Å; I435-L871 HydrophobicContact CD1-CD2 4.18Å; I435-L871 HydrophobicContact CD1-CG 4.44Å; I435-L871 HydrophobicContact CG2-CD2 4.37Å; I435-L871 HydrophobicContact CG2-CG 3.92Å; N860-L871 VanDerWaalsContact ND2-CD2 3.3Å; N860-L871 WeakPolarHBondContact ND2-CD2 3.31Å; L863-L871 HydrophobicContact CD1-CD2 3.93Å; Q867-L871 VanDerWaalsContact O-CB 3.25Å; Q867-L871 WeakPolarHBondContact O-CB 3.39Å; Q867-L871 PolarHBondContact O-N 2.88Å; I868-L871 PolarHBondContact O-N 3.45Å; L871-N874 PolarHBondContact O-N 3.4Å; L871-M875 HydrophobicContact CD1-CE 3.92Å; L871-M875 HydrophobicContact CD1-CG 4.07Å; L871-M875 HydrophobicContact CG-CG 4.46Å; L871-M875 WeakPolarHBondContact O-CB 3.48Å; L871-M875 VanDerWaalsContact O-CG 3.32Å; L871-M875 WeakPolarHBondContact O-CG 3.32Å; L871-M875 PolarHBondContact O-N 2.93Å |
| 872 | R | 94.9 | Very high | 91.9 | Very high | 47 Ų | 47 | 58.7 Ų | 58.7 | 18% | 0.177 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -61.6 | -46.8 | 178 | -165.9 | -174.3 | -60.5 | 107.3 | 1.8 | 111.3 | I435 A465 I868 D869 I870 M875 I876 | I435-R872 HydrophobicContact CD1-CB 4.32Å; I435-R872 HydrophobicContact CG2-CB 4.2Å; I435-R872 HydrophobicContact CG2-CG 4.46Å; A465-R872 PolarHBondContact O-NE 3.19Å; I868-R872 WeakPolarHBondContact O-CB 3.42Å; I868-R872 PolarHBondContact O-N 3.06Å; D869-R872 PolarHBondContact O-N 3.5Å; D869-R872 IonicContact OD1-CZ 3.9Å; D869-R872 IonicContact OD1-NH1 2.82Å; D869-R872 PolarHBondContact OD1-NH1 3.13Å; I870-R872 VanDerWaalsContact C-N 3.33Å; I870-R872 PolarHBondContact O-N 2.92Å; R872-M875 PolarHBondContact O-N 3.18Å; R872-I876 HydrophobicContact CG-CD1 3.97Å; R872-I876 WeakPolarHBondContact O-CD1 3.46Å; R872-I876 VanDerWaalsContact O-CG1 3.25Å; R872-I876 WeakPolarHBondContact O-CG1 3.32Å; R872-I876 PolarHBondContact O-N 3.4Å |
| 873 | Q | 94.3 | Very high | 90.2 | Very high | 110 Ų | 110 | 60.2 Ų | 60.2 | 51% | 0.514 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -59.8 | -50.1 | 177 | -177 | 177.7 | -8.8 | 0 | 0 | 111.3 | D869 I870 M875 I876 E877 | D869-Q873 WeakPolarHBondContact O-CB 3.41Å; D869-Q873 PolarHBondContact O-N 2.84Å; I870-Q873 PolarHBondContact O-N 2.87Å; Q873-M875 VanDerWaalsContact C-N 3.33Å; Q873-M875 PolarHBondContact O-N 2.73Å; Q873-I876 PolarHBondContact O-N 3.45Å; Q873-E877 HydrophobicContact CG-CG 4.48Å; Q873-E877 WeakPolarHBondContact CG-OE1 3.2Å; Q873-E877 PolarHBondContact NE2-OE1 3.45Å; Q873-E877 WeakPolarHBondContact O-CG 3.34Å; Q873-E877 PolarHBondContact O-N 3.16Å |
| 874 | N | 95 | Very high | 88.2 | Confident | 77 Ų | 77 | 65.6 Ų | 65.6 | 41% | 0.412 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -60.6 | -40.3 | -179.7 | -69.2 | -12.7 | 0 | 0 | 0 | 112.5 | I870 L871 A878 | I870-N874 WeakPolarHBondContact O-CB 3.47Å; I870-N874 PolarHBondContact O-N 3.01Å; I870-N874 PolarHBondContact O-ND2 3.38Å; I870-N874 PolarHBondContact O-OD1 3.43Å; L871-N874 PolarHBondContact O-N 3.4Å; N874-A878 VanDerWaalsContact O-CB 3.24Å; N874-A878 WeakPolarHBondContact O-CB 3.43Å; N874-A878 PolarHBondContact O-N 3.16Å |
| 875 | M | 94.4 | Very high | 85.8 | Confident | 30 Ų | 30 | 66.8 Ų | 66.8 | 15% | 0.148 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -71.4 | -34.3 | 179.6 | -70.5 | -56.2 | 124.9 | 0 | 0 | 112.5 | I435 T436 R439 L871 R872 Q873 A879 | I435-M875 HydrophobicContact CG2-CB 3.99Å; I435-M875 HydrophobicContact CG2-CG 3.92Å; T436-M875 HydrophobicContact CG2-SD 4.17Å; R439-M875 HydrophobicContact CB-CB 4.27Å; R439-M875 WeakPolarHBondContact CD-SD 3.47Å; L871-M875 HydrophobicContact CD1-CE 3.92Å; L871-M875 HydrophobicContact CD1-CG 4.07Å; L871-M875 HydrophobicContact CG-CG 4.46Å; L871-M875 WeakPolarHBondContact O-CB 3.48Å; L871-M875 VanDerWaalsContact O-CG 3.32Å; L871-M875 WeakPolarHBondContact O-CG 3.32Å; L871-M875 PolarHBondContact O-N 2.93Å; R872-M875 PolarHBondContact O-N 3.18Å; Q873-M875 VanDerWaalsContact C-N 3.33Å; Q873-M875 PolarHBondContact O-N 2.73Å; M875-A879 WeakPolarHBondContact O-CB 3.31Å; M875-A879 PolarHBondContact O-N 3.21Å |
| 876 | I | 91.1 | Very high | 83.1 | Confident | 47 Ų | 47 | 65.8 Ų | 65.8 | 24% | 0.241 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -67.1 | -47.1 | 172.8 | -69.2 | 166.7 | 0 | 0 | 0 | 110.4 | R467 R872 Q873 A878 A879 N880 | R467-I876 HydrophobicContact CG-CD1 4.38Å; R872-I876 HydrophobicContact CG-CD1 3.97Å; R872-I876 WeakPolarHBondContact O-CD1 3.46Å; R872-I876 VanDerWaalsContact O-CG1 3.25Å; R872-I876 WeakPolarHBondContact O-CG1 3.32Å; R872-I876 PolarHBondContact O-N 3.4Å; Q873-I876 PolarHBondContact O-N 3.45Å; I876-A878 VanDerWaalsContact C-N 3.29Å; I876-A878 PolarHBondContact O-N 3.11Å; I876-A879 PolarHBondContact O-N 3.34Å; I876-N880 VanDerWaalsContact O-CG 3.31Å; I876-N880 PolarHBondContact O-N 3.23Å; I876-N880 PolarHBondContact O-ND2 3.32Å |
| 877 | E | 90.9 | Very high | 80.2 | Confident | 103 Ų | 103 | 67.1 Ų | 67.1 | 48% | 0.481 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -59.5 | -42.3 | 176.3 | -73.4 | 176.4 | -168.2 | 0 | 0 | 111.4 | Q873 N880 S881 | Q873-E877 HydrophobicContact CG-CG 4.48Å; Q873-E877 WeakPolarHBondContact CG-OE1 3.2Å; Q873-E877 PolarHBondContact NE2-OE1 3.45Å; Q873-E877 WeakPolarHBondContact O-CG 3.34Å; Q873-E877 PolarHBondContact O-N 3.16Å; E877-N880 PolarHBondContact O-N 3.06Å; E877-S881 PolarHBondContact O-N 3.38Å |
| 878 | A | 89 | Confident | 77.4 | Confident | 19 Ų | 19 | 67.7 Ų | 67.7 | 16% | 0.157 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -63.3 | -46.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | N874 I876 N880 S881 S882 | N874-A878 VanDerWaalsContact O-CB 3.24Å; N874-A878 WeakPolarHBondContact O-CB 3.43Å; N874-A878 PolarHBondContact O-N 3.16Å; I876-A878 VanDerWaalsContact C-N 3.29Å; I876-A878 PolarHBondContact O-N 3.11Å; A878-N880 VanDerWaalsContact C-N 3.32Å; A878-N880 PolarHBondContact O-N 3.47Å; A878-S881 WeakPolarHBondContact O-CB 3.42Å; A878-S881 PolarHBondContact O-N 3.29Å; A878-S881 VanDerWaalsContact O-N 3.08Å; A878-S881 PolarHBondContact O-OG 3.06Å; A878-S882 PolarHBondContact O-N 3.31Å; A878-S882 VanDerWaalsContact O-N 3.15Å; A878-S882 PolarHBondContact O-OG 2.98Å |
| 879 | A | 85.9 | Confident | 74.3 | Confident | 5 Ų | 5 | 74 Ų | 74 | 4% | 0.041 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -58.1 | -44.4 | 176 | 0 | 0 | 0 | 0 | 0 | 111.9 | R439 M875 I876 S881 S882 A883 | R439-A879 HydrophobicContact CG-CB 4.25Å; M875-A879 WeakPolarHBondContact O-CB 3.31Å; M875-A879 PolarHBondContact O-N 3.21Å; I876-A879 PolarHBondContact O-N 3.34Å; A879-S881 PolarHBondContact O-N 2.94Å; A879-S882 PolarHBondContact O-N 3.02Å; A879-A883 PolarHBondContact O-N 3.41Å; A879-A883 VanDerWaalsContact O-N 3.13Å |
| 880 | N | 84 | Confident | 71.3 | Confident | 80 Ų | 80 | 76.1 Ų | 76.1 | 43% | 0.428 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -62.3 | -31.7 | 176.5 | -71.8 | -26 | 0 | 0 | 0 | 112.4 | I876 E877 A878 | I876-N880 VanDerWaalsContact O-CG 3.31Å; I876-N880 PolarHBondContact O-N 3.23Å; I876-N880 PolarHBondContact O-ND2 3.32Å; E877-N880 PolarHBondContact O-N 3.06Å; A878-N880 VanDerWaalsContact C-N 3.32Å; A878-N880 PolarHBondContact O-N 3.47Å |
| 881 | S | 82.2 | Confident | 68.7 | Low | 99 Ų | 99 | 77 Ų | 77 | 69% | 0.692 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -76 | -32.1 | 179.6 | 76.7 | 0 | 0 | 0 | 0 | 114.3 | E877 A878 A879 | E877-S881 PolarHBondContact O-N 3.38Å; A878-S881 WeakPolarHBondContact O-CB 3.42Å; A878-S881 PolarHBondContact O-N 3.29Å; A878-S881 VanDerWaalsContact O-N 3.08Å; A878-S881 PolarHBondContact O-OG 3.06Å; A879-S881 PolarHBondContact O-N 2.94Å |
| 882 | S | 75.7 | Confident | 65.8 | Low | 39 Ų | 39 | 82.2 Ų | 82.2 | 27% | 0.273 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -93.1 | -8.4 | -179.9 | 24.7 | 0 | 0 | 0 | 0 | 113.9 | E443 A878 A879 I884 | E443-S882 VanDerWaalsContact CD-OG 3.31Å; E443-S882 VanDerWaalsContact OE1-CB 3.3Å; E443-S882 WeakPolarHBondContact OE1-CB 3.46Å; E443-S882 PolarHBondContact OE1-OG 3.22Å; A878-S882 PolarHBondContact O-N 3.31Å; A878-S882 VanDerWaalsContact O-N 3.15Å; A878-S882 PolarHBondContact O-OG 2.98Å; A879-S882 PolarHBondContact O-N 3.02Å; S882-I884 WeakPolarHBondContact O-CG1 3.45Å; S882-I884 PolarHBondContact O-N 3.26Å |
| 883 | A | 61.7 | Low | 62.9 | Low | 32 Ų | 32 | 84.9 Ų | 84.9 | 26% | 0.264 | 49% | 0.49 | S | S | . | . | trans | -54.9 | 101.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | A879 S885 | A879-A883 PolarHBondContact O-N 3.41Å; A879-A883 VanDerWaalsContact O-N 3.13Å; A883-S885 PolarHBondContact O-N 3.41Å | ||
| 884 | I | 55.1 | Low | 60.2 | Low | 142 Ų | 142 | 85 Ų | 85 | 73% | 0.728 | 50% | 0.499 | S | S | * | . | S | Bend | trans | -65 | -23.9 | -179.9 | -60.2 | 175.8 | 0 | 0 | 0 | 111.1 | L447 S882 | L447-I884 HydrophobicContact CD2-CD1 3.94Å; S882-I884 WeakPolarHBondContact O-CG1 3.45Å; S882-I884 PolarHBondContact O-N 3.26Å |
| 885 | S | 43.9 | Very low | 57.5 | Low | 65 Ų | 65 | 87.7 Ų | 87.7 | 46% | 0.455 | 51% | 0.513 | S | S | . | . | S | Bend | trans | -115 | 102.2 | 178.2 | 149.2 | 0 | 0 | 0 | 0 | 108.3 | A883 V887 | A883-S885 PolarHBondContact O-N 3.41Å; S885-V887 PolarHBondContact O-N 2.97Å; S885-V887 WeakPolarHBondContact OG-CG2 3.35Å |
| 886 | G | 34.7 | Very low | 54.7 | Low | 83 Ų | 83 | 92.2 Ų | 92.2 | 86% | 0.856 | 53% | 0.534 | S | S | * | . | trans | -60.7 | 63.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 887 | V | 31.9 | Very low | 52 | Low | 104 Ų | 104 | 96.5 Ų | 96.5 | 63% | 0.63 | 56% | 0.557 | S | S | * | * | trans | -121.4 | 72.2 | 179.6 | -172.7 | 0 | 0 | 0 | 0 | 108.8 | S885 | S885-V887 PolarHBondContact O-N 2.97Å; S885-V887 WeakPolarHBondContact OG-CG2 3.35Å | ||
| 888 | F | 38.2 | Very low | 49.4 | Very low | 93 Ų | 93 | 98.6 Ų | 98.6 | 41% | 0.408 | 57% | 0.57 | S | S | . | * | trans | -140.3 | 85.5 | 146.6 | -73.8 | -74.8 | 0 | 0 | 0 | 107.5 | M890 | F888-M890 PolarHBondContact O-N 3.42Š| ||
| 889 | L | 29.4 | Very low | 46.8 | Very low | 170 Ų | 170 | 105.8 Ų | 105.8 | 89% | 0.89 | 60% | 0.601 | S | S | * | * | trans | -67.2 | 108.6 | 160.2 | -74.5 | 164.9 | 0 | 0 | 0 | 106.5 | ||||
| 890 | M | 32.7 | Very low | 44.3 | Very low | 119 Ų | 119 | 111.5 Ų | 111.5 | 59% | 0.586 | 63% | 0.63 | S | S | * | * | trans | -59.5 | 127.6 | 167.1 | -76.5 | -71.2 | 130.5 | 0 | 0 | 108 | F888 N892 | F888-M890 PolarHBondContact O-N 3.42Å; M890-N892 PolarHBondContact O-N 3.05Å | ||
| 891 | P | 41.1 | Very low | 42.1 | Very low | 119 Ų | 119 | 113.3 Ų | 113.3 | 77% | 0.773 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.1 | -2.4 | -171.5 | -22.1 | 32 | 0 | 0 | 0 | 116.1 | ||
| 892 | N | 36.2 | Very low | 40.2 | Very low | 144 Ų | 144 | 114.3 Ų | 114.3 | 77% | 0.77 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.4 | 2.9 | -168 | -78.8 | -11.1 | 0 | 0 | 0 | 116.3 | M890 T894 | M890-N892 PolarHBondContact O-N 3.05Å; N892-T894 PolarHBondContact O-N 3.18Å |
| 893 | D | 32.9 | Very low | 38.7 | Very low | 102 Ų | 102 | 118.1 Ų | 118.1 | 55% | 0.545 | 66% | 0.659 | S | S | . | * | trans | -100.5 | 71.7 | 175.6 | -72.1 | -30.6 | 0 | 0 | 0 | 111.4 | D895 | D893-D895 PolarHBondContact O-N 3.2Š| ||
| 894 | T | 37.9 | Very low | 37.7 | Very low | 113 Ų | 113 | 123 Ų | 123 | 69% | 0.693 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.4 | -9.6 | 165.8 | 32.7 | 0 | 0 | 0 | 0 | 113.3 | N892 | N892-T894 PolarHBondContact O-N 3.18Š|
| 895 | D | 38.6 | Very low | 37 | Very low | 134 Ų | 134 | 123.5 Ų | 123.5 | 72% | 0.717 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.3 | -10.2 | -175.1 | -73.9 | -14.6 | 0 | 0 | 0 | 115 | D893 | D893-D895 PolarHBondContact O-N 3.2Š|
| 896 | Q | 36.1 | Very low | 37 | Very low | 125 Ų | 125 | 123 Ų | 123 | 58% | 0.584 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -100.3 | -3.9 | 178.2 | -71.1 | -171.1 | 11.2 | 0 | 0 | 115.3 | L898 E899 | Q896-L898 PolarHBondContact O-N 2.57Å; Q896-E899 PolarHBondContact O-N 3.1Å |
| 897 | L | 34.3 | Very low | 37.4 | Very low | 137 Ų | 137 | 126.5 Ų | 126.5 | 72% | 0.717 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.5 | -13.1 | 171.2 | -94.8 | 155.7 | 0 | 0 | 0 | 113.5 | ||
| 898 | L | 35.9 | Very low | 37.9 | Very low | 147 Ų | 147 | 127 Ų | 127 | 77% | 0.77 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.3 | -22.9 | 180 | -79.5 | 159.9 | 0 | 0 | 0 | 114.1 | Q896 | Q896-L898 PolarHBondContact O-N 2.57Š|
| 899 | E | 34.7 | Very low | 38.3 | Very low | 170 Ų | 170 | 126 Ų | 126 | 79% | 0.794 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.7 | -13.4 | -175.6 | -72 | -167.8 | 163 | 0 | 0 | 114.7 | Q896 N901 | Q896-E899 PolarHBondContact O-N 3.1Å; E899-N901 VanDerWaalsContact C-N 3.27Å; E899-N901 PolarHBondContact O-N 3.42Å |
| 900 | L | 34.2 | Very low | 39 | Very low | 124 Ų | 124 | 123 Ų | 123 | 65% | 0.649 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.8 | 2.8 | 177.9 | -78.7 | 162.7 | 0 | 0 | 0 | 114.6 | ||
| 901 | N | 37.3 | Very low | 39.6 | Very low | 118 Ų | 118 | 123.6 Ų | 123.6 | 63% | 0.631 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.6 | 19.4 | -168.9 | -110.9 | -7.3 | 0 | 0 | 0 | 116.8 | E899 | E899-N901 VanDerWaalsContact C-N 3.27Å; E899-N901 PolarHBondContact O-N 3.42Å |
| 902 | T | 42.2 | Very low | 39.8 | Very low | 120 Ų | 120 | 122.6 Ų | 122.6 | 74% | 0.736 | 64% | 0.641 | S | S | * | * | S | Bend | trans | -133 | -1.6 | 179.8 | 47 | 0 | 0 | 0 | 0 | 119.4 | ||
| 903 | D | 43.4 | Very low | 40 | Very low | 119 Ų | 119 | 119.6 Ų | 119.6 | 64% | 0.636 | 63% | 0.631 | S | S | * | * | S | Bend | trans | -144.7 | -8.3 | 175.6 | -101.9 | -29.4 | 0 | 0 | 0 | 118.6 | S906 | D903-S906 PolarHBondContact O-OG 3.48Š|
| 904 | H | 40.8 | Very low | 40.6 | Very low | 134 Ų | 134 | 124 Ų | 124 | 62% | 0.62 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -86.2 | -31.7 | 177.1 | -80.2 | -67.4 | 0 | 0 | 0 | 113.9 | S906 K907 L908 | H904-S906 VanDerWaalsContact C-N 3.3Å; H904-S906 PolarHBondContact O-N 2.99Å; H904-K907 PolarHBondContact O-N 3.5Å; H904-L908 PolarHBondContact O-N 3.24Å |
| 905 | E | 41.3 | Very low | 40.5 | Very low | 153 Ų | 153 | 124.1 Ų | 124.1 | 72% | 0.715 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -65 | -32.8 | 174.9 | -76.8 | -166.5 | 153.8 | 0 | 0 | 112.3 | K907 S909 | E905-K907 PolarHBondContact O-N 3.32Å; E905-S909 WeakPolarHBondContact O-CA 3.23Å; E905-S909 WeakPolarHBondContact O-CB 3.45Å; E905-S909 PolarHBondContact O-N 3.44Å |
| 906 | S | 43.7 | Very low | 40.1 | Very low | 56 Ų | 56 | 123.8 Ų | 123.8 | 39% | 0.392 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -68.6 | -37.9 | -178.5 | 78.5 | 0 | 0 | 0 | 0 | 112.4 | D903 H904 N910 | D903-S906 PolarHBondContact O-OG 3.48Å; H904-S906 VanDerWaalsContact C-N 3.3Å; H904-S906 PolarHBondContact O-N 2.99Å; S906-N910 VanDerWaalsContact O-CB 3.28Å; S906-N910 WeakPolarHBondContact O-CB 3.42Å; S906-N910 PolarHBondContact O-N 3.39Å; S906-N910 VanDerWaalsContact O-N 3.14Å; S906-N910 PolarHBondContact O-ND2 3.05Å |
| 907 | K | 42.7 | Very low | 40.1 | Very low | 155 Ų | 155 | 125.3 Ų | 125.3 | 67% | 0.674 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -74.5 | -43.6 | 177.6 | -75.3 | -177.6 | 179.7 | 173.3 | 0 | 112.2 | H904 E905 N910 E911 | H904-K907 PolarHBondContact O-N 3.5Å; E905-K907 PolarHBondContact O-N 3.32Å; K907-N910 PolarHBondContact O-N 2.89Å; K907-E911 WeakPolarHBondContact O-CG 3.22Å; K907-E911 PolarHBondContact O-N 3.39Å; K907-E911 VanDerWaalsContact O-N 3.17Å |
| 908 | L | 42.3 | Very low | 40.1 | Very low | 116 Ų | 116 | 127.1 Ų | 127.1 | 61% | 0.607 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -70.7 | -38 | 178.7 | -122 | 107 | 0 | 0 | 0 | 112 | H904 E911 L912 | H904-L908 PolarHBondContact O-N 3.24Å; L908-E911 PolarHBondContact O-N 2.87Å; L908-L912 HydrophobicContact CD2-CD1 4.05Å; L908-L912 VanDerWaalsContact O-CB 3.32Å; L908-L912 WeakPolarHBondContact O-CB 3.46Å; L908-L912 WeakPolarHBondContact O-CG 3.46Å; L908-L912 PolarHBondContact O-N 2.8Å |
| 909 | S | 46.1 | Very low | 39.8 | Very low | 71 Ų | 71 | 125.6 Ų | 125.6 | 50% | 0.497 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -67 | -35.8 | 176.3 | -173.7 | 0 | 0 | 0 | 0 | 111.9 | E905 L912 S913 | E905-S909 WeakPolarHBondContact O-CA 3.23Å; E905-S909 WeakPolarHBondContact O-CB 3.45Å; E905-S909 PolarHBondContact O-N 3.44Å; S909-L912 PolarHBondContact O-N 3.4Å; S909-S913 VanDerWaalsContact O-CB 3.23Å; S909-S913 WeakPolarHBondContact O-CB 3.18Å; S909-S913 PolarHBondContact O-N 2.89Å; S909-S913 PolarHBondContact O-OG 3.49Å |
| 910 | N | 44.5 | Very low | 39.7 | Very low | 108 Ų | 108 | 126.1 Ų | 126.1 | 58% | 0.578 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -68.5 | -32.8 | 173.4 | -80.1 | -26.4 | 0 | 0 | 0 | 113.2 | S906 K907 S913 | S906-N910 VanDerWaalsContact O-CB 3.28Å; S906-N910 WeakPolarHBondContact O-CB 3.42Å; S906-N910 PolarHBondContact O-N 3.39Å; S906-N910 VanDerWaalsContact O-N 3.14Å; S906-N910 PolarHBondContact O-ND2 3.05Å; K907-N910 PolarHBondContact O-N 2.89Å; N910-S913 WeakPolarHBondContact CA-OG 3.43Å; N910-S913 PolarHBondContact O-OG 3.44Å |
| 911 | E | 45.4 | Very low | 39.6 | Very low | 130 Ų | 130 | 126.6 Ų | 126.6 | 61% | 0.607 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -74.7 | -42.6 | 173.7 | -74.8 | -91.1 | 136.3 | 0 | 0 | 111.3 | K907 L908 R914 | K907-E911 WeakPolarHBondContact O-CG 3.22Å; K907-E911 PolarHBondContact O-N 3.39Å; K907-E911 VanDerWaalsContact O-N 3.17Å; L908-E911 PolarHBondContact O-N 2.87Å; E911-R914 WeakPolarHBondContact O-CB 3.48Å; E911-R914 PolarHBondContact O-N 2.94Å |
| 912 | L | 44.7 | Very low | 39.4 | Very low | 99 Ų | 99 | 128.6 Ų | 128.6 | 52% | 0.518 | 68% | 0.676 | S | S | . | * | H | α-helix | trans | -70.5 | -33.3 | 179.4 | -76.2 | 166.1 | 0 | 0 | 0 | 113 | L908 S909 R914 L915 | L908-L912 HydrophobicContact CD2-CD1 4.05Å; L908-L912 VanDerWaalsContact O-CB 3.32Å; L908-L912 WeakPolarHBondContact O-CB 3.46Å; L908-L912 WeakPolarHBondContact O-CG 3.46Å; L908-L912 PolarHBondContact O-N 2.8Å; S909-L912 PolarHBondContact O-N 3.4Å; L912-R914 PolarHBondContact O-N 2.95Å; L912-L915 HydrophobicContact CD2-CD1 3.75Å; L912-L915 VanDerWaalsContact O-CB 3.27Å; L912-L915 WeakPolarHBondContact O-CB 3.28Å; L912-L915 PolarHBondContact O-N 3.25Å |
| 913 | S | 41.3 | Very low | 38.9 | Very low | 80 Ų | 80 | 126 Ų | 126 | 56% | 0.559 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.1 | -13.9 | 175.8 | 52.7 | 0 | 0 | 0 | 0 | 113.6 | S909 N910 L915 | S909-S913 VanDerWaalsContact O-CB 3.23Å; S909-S913 WeakPolarHBondContact O-CB 3.18Å; S909-S913 PolarHBondContact O-N 2.89Å; S909-S913 PolarHBondContact O-OG 3.49Å; N910-S913 WeakPolarHBondContact CA-OG 3.43Å; N910-S913 PolarHBondContact O-OG 3.44Å; S913-L915 VanDerWaalsContact C-N 3.28Å |
| 914 | R | 44.5 | Very low | 38.3 | Very low | 195 Ų | 195 | 128.3 Ų | 128.3 | 74% | 0.736 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.4 | -13.9 | 168.6 | -67.7 | 177.6 | 175.9 | 178.5 | -0 | 113 | E911 L912 T916 | E911-R914 WeakPolarHBondContact O-CB 3.48Å; E911-R914 PolarHBondContact O-N 2.94Å; L912-R914 PolarHBondContact O-N 2.95Å; R914-T916 PolarHBondContact O-N 2.64Å; R914-T916 VanDerWaalsContact O-N 3.08Å |
| 915 | L | 35.8 | Very low | 37.8 | Very low | 115 Ų | 115 | 130.4 Ų | 130.4 | 60% | 0.602 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -78.7 | 91.5 | 171.6 | -60.3 | 169.4 | 0 | 0 | 0 | 107.9 | L912 S913 I917 | L912-L915 HydrophobicContact CD2-CD1 3.75Å; L912-L915 VanDerWaalsContact O-CB 3.27Å; L912-L915 WeakPolarHBondContact O-CB 3.28Å; L912-L915 PolarHBondContact O-N 3.25Å; S913-L915 VanDerWaalsContact C-N 3.28Å; L915-I917 PolarHBondContact O-N 2.85Å |
| 916 | T | 31.9 | Very low | 37.3 | Very low | 128 Ų | 128 | 132 Ų | 132 | 79% | 0.785 | 70% | 0.704 | S | S | * | * | trans | -63.3 | 106.4 | 167.9 | 39.1 | 0 | 0 | 0 | 0 | 109 | R914 E918 | R914-T916 PolarHBondContact O-N 2.64Å; R914-T916 VanDerWaalsContact O-N 3.08Å; T916-E918 PolarHBondContact O-N 3.33Å; T916-E918 VanDerWaalsContact O-N 3.16Å | ||
| 917 | I | 35.7 | Very low | 36.7 | Very low | 157 Ų | 157 | 136.8 Ų | 136.8 | 81% | 0.805 | 73% | 0.726 | S | S | * | * | trans | -75.3 | 96.1 | 171.7 | -56.6 | 171 | 0 | 0 | 0 | 106.7 | L915 P919 | L915-I917 PolarHBondContact O-N 2.85Å; I917-P919 WeakPolarHBondContact O-CD 3.25Å | ||
| 918 | E | 33.3 | Very low | 36.1 | Very low | 174 Ų | 174 | 134.6 Ų | 134.6 | 81% | 0.813 | 73% | 0.729 | S | S | * | * | trans | -75.6 | 121.9 | 165 | -80.6 | -166.4 | 166.3 | 0 | 0 | 109.3 | T916 M920 | T916-E918 PolarHBondContact O-N 3.33Å; T916-E918 VanDerWaalsContact O-N 3.16Å; E918-M920 PolarHBondContact O-N 3.32Å | ||
| 919 | P | 30.9 | Very low | 35.7 | Very low | 116 Ų | 116 | 136.1 Ų | 136.1 | 75% | 0.753 | 74% | 0.744 | S | S | * | * | trans | -76.1 | 111.1 | -179.8 | 28.8 | -30.8 | 0 | 0 | 0 | 109.9 | I917 V921 | I917-P919 WeakPolarHBondContact O-CD 3.25Å; P919-V921 PolarHBondContact O-N 3.2Å | ||
| 920 | M | 31.6 | Very low | 35.2 | Very low | 181 Ų | 181 | 137.2 Ų | 137.2 | 89% | 0.892 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 122.8 | 170.5 | -85.6 | -172.9 | 69.2 | 0 | 0 | 111.5 | E918 | E918-M920 PolarHBondContact O-N 3.32Š|
| 921 | V | 32.1 | Very low | 34.4 | Very low | 133 Ų | 133 | 143.5 Ų | 143.5 | 81% | 0.806 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -86.9 | 141.4 | 161.9 | 174.4 | 0 | 0 | 0 | 0 | 108.5 | P919 G923 | P919-V921 PolarHBondContact O-N 3.2Å; V921-G923 PolarHBondContact O-N 2.89Å |
| 922 | N | 34.3 | Very low | 33.9 | Very low | 161 Ų | 161 | 142.1 Ų | 142.1 | 86% | 0.861 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -47.2 | 127 | -176.1 | -69.2 | -34.9 | 0 | 0 | 0 | 115 | ||
| 923 | G | 30.4 | Very low | 33.5 | Very low | 64 Ų | 64 | 140.1 Ų | 140.1 | 66% | 0.66 | 76% | 0.756 | S | S | * | * | trans | 78.4 | 106 | 141.8 | 0 | 0 | 0 | 0 | 0 | 117 | V921 | V921-G923 PolarHBondContact O-N 2.89Š| ||
| 924 | D | 31.9 | Very low | 33.3 | Very low | 169 Ų | 169 | 146.4 Ų | 146.4 | 90% | 0.904 | 78% | 0.777 | S | S | * | * | trans | -148.6 | 117.6 | 133.5 | -106 | -25.4 | 0 | 0 | 0 | 110.2 | K926 | D924-K926 PolarHBondContact O-N 3Š| ||
| 925 | L | 29.1 | Very low | 33 | Very low | 177 Ų | 177 | 142.2 Ų | 142.2 | 93% | 0.927 | 78% | 0.778 | S | S | * | * | trans | -77.2 | 108.6 | 175 | -81.3 | 126.9 | 0 | 0 | 0 | 108.8 | ||||
| 926 | K | 30.4 | Very low | 32.8 | Very low | 186 Ų | 186 | 140.4 Ų | 140.4 | 81% | 0.809 | 77% | 0.774 | S | S | * | * | trans | -131.7 | 127.4 | 154.7 | -73.9 | -172.2 | 178.7 | 174.3 | 0 | 109.7 | D924 | D924-K926 PolarHBondContact O-N 3Š| ||
| 927 | D | 32.5 | Very low | 33.2 | Very low | 158 Ų | 158 | 143.8 Ų | 143.8 | 85% | 0.845 | 78% | 0.777 | S | S | * | * | trans | 86 | 93 | 166.7 | -53.6 | -24.1 | 0 | 0 | 0 | 117.9 | ||||
| 928 | S | 30.2 | Very low | 33.1 | Very low | 108 Ų | 108 | 145.1 Ų | 145.1 | 76% | 0.755 | 78% | 0.78 | S | S | * | * | trans | -56.6 | 127.7 | 159.9 | 51.5 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 929 | T | 32.6 | Very low | 33.2 | Very low | 148 Ų | 148 | 142.1 Ų | 142.1 | 91% | 0.908 | 77% | 0.773 | S | S | * | * | trans | 177.9 | -0.3 | 132.6 | 25.8 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 930 | S | 35.7 | Very low | 33.2 | Very low | 95 Ų | 95 | 141.9 Ų | 141.9 | 66% | 0.664 | 78% | 0.775 | S | S | * | * | trans | -122.3 | 105.7 | 172 | 56.8 | 0 | 0 | 0 | 0 | 111.4 | I932 | S930-I932 VanDerWaalsContact C-N 3.34Å; S930-I932 PolarHBondContact O-N 3.07Å | ||
| 931 | W | 27.2 | Very low | 33.3 | Very low | 240 Ų | 240 | 138.5 Ų | 138.5 | 91% | 0.909 | 76% | 0.764 | S | S | * | * | trans | -74.4 | 87.6 | 172.3 | -159.5 | 80.3 | 0 | 0 | 0 | 108.8 | P933 | W931-P933 HydrophobicContact CZ3-CG 4.36Š| ||
| 932 | I | 36.3 | Very low | 33.2 | Very low | 100 Ų | 100 | 138.7 Ų | 138.7 | 51% | 0.513 | 77% | 0.766 | S | S | . | * | trans | -98 | 124.2 | 168.2 | -59.8 | 176.3 | 0 | 0 | 0 | 107.1 | S930 C936 | S930-I932 VanDerWaalsContact C-N 3.34Å; S930-I932 PolarHBondContact O-N 3.07Å; I932-C936 HydrophobicContact CG2-CB 3.7Å | ||
| 933 | P | 35.4 | Very low | 33.3 | Very low | 58 Ų | 58 | 137.1 Ų | 137.1 | 38% | 0.377 | 76% | 0.757 | S | S | . | * | trans | -57.3 | 143.5 | -179 | -24.4 | 33.4 | 0 | 0 | 0 | 112.5 | W931 S935 C936 | W931-P933 HydrophobicContact CZ3-CG 4.36Å; P933-S935 PolarHBondContact O-N 2.95Å; P933-C936 PolarHBondContact O-N 2.99Å | ||
| 934 | Q | 37.2 | Very low | 34 | Very low | 211 Ų | 211 | 144.2 Ų | 144.2 | 99% | 0.986 | 77% | 0.77 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.6 | -11.1 | 179.5 | -74.6 | -178.7 | -23.2 | 0 | 0 | 114.8 | ||
| 935 | S | 39.6 | Very low | 34.6 | Very low | 108 Ų | 108 | 141.2 Ų | 141.2 | 76% | 0.755 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.8 | -9.8 | 174.5 | 53.6 | 0 | 0 | 0 | 0 | 114.5 | P933 | P933-S935 PolarHBondContact O-N 2.95Š|
| 936 | C | 31.1 | Very low | 35 | Very low | 77 Ų | 77 | 138.7 Ų | 138.7 | 52% | 0.52 | 75% | 0.75 | S | S | . | * | trans | -107.2 | 106.3 | -174.4 | -62.6 | 0 | 0 | 0 | 0 | 111 | I932 P933 | I932-C936 HydrophobicContact CG2-CB 3.7Å; P933-C936 PolarHBondContact O-N 2.99Å | ||
| 937 | K | 40.4 | Very low | 35.1 | Very low | 198 Ų | 198 | 137.9 Ų | 137.9 | 86% | 0.861 | 76% | 0.755 | S | S | * | * | trans | -83.1 | 121.7 | 164.3 | -82 | -174 | 175.6 | -178.2 | 0 | 109.1 | V939 | K937-V939 HydrophobicContact CB-CG2 4.42Å; K937-V939 PolarHBondContact O-N 3.15Å | ||
| 938 | Q | 33.5 | Very low | 35.1 | Very low | 185 Ų | 185 | 136.9 Ų | 136.9 | 86% | 0.864 | 75% | 0.748 | S | S | * | * | trans | -80.5 | 113.1 | 163 | -133.5 | 176.6 | -0.6 | 0 | 0 | 107.5 | ||||
| 939 | V | 35.5 | Very low | 35.1 | Very low | 111 Ų | 111 | 138.5 Ų | 138.5 | 67% | 0.673 | 75% | 0.753 | S | S | * | * | trans | -103.8 | 108.2 | 173.2 | -178.7 | 0 | 0 | 0 | 0 | 107.4 | K937 V941 | K937-V939 HydrophobicContact CB-CG2 4.42Å; K937-V939 PolarHBondContact O-N 3.15Å; V939-V941 HydrophobicContact CG1-CG2 3.96Å; V939-V941 PolarHBondContact O-N 3.46Å; V939-V941 VanDerWaalsContact O-N 3.16Å | ||
| 940 | S | 30 | Very low | 35.2 | Very low | 112 Ų | 112 | 140.7 Ų | 140.7 | 78% | 0.783 | 77% | 0.765 | S | S | * | * | trans | -76 | 97.6 | 171.4 | 51.7 | 0 | 0 | 0 | 0 | 109.3 | T942 | S940-T942 PolarHBondContact O-N 3.19Š| ||
| 941 | V | 34.8 | Very low | 35.2 | Very low | 110 Ų | 110 | 143 Ų | 143 | 67% | 0.667 | 77% | 0.77 | S | S | * | * | trans | -83.9 | 101.2 | 172.5 | -176.7 | 0 | 0 | 0 | 0 | 108.2 | V939 N943 | V939-V941 HydrophobicContact CG1-CG2 3.96Å; V939-V941 PolarHBondContact O-N 3.46Å; V939-V941 VanDerWaalsContact O-N 3.16Å; V941-N943 VanDerWaalsContact C-N 3.3Å; V941-N943 HydrophobicContact CG1-CB 4.44Å; V941-N943 PolarHBondContact O-N 2.93Å | ||
| 942 | T | 28.9 | Very low | 35.6 | Very low | 137 Ų | 137 | 137.8 Ų | 137.8 | 84% | 0.84 | 76% | 0.763 | S | S | * | * | trans | -76.4 | 83.6 | 169.9 | 50.4 | 0 | 0 | 0 | 0 | 109.4 | S940 | S940-T942 PolarHBondContact O-N 3.19Š| ||
| 943 | N | 36.1 | Very low | 35.6 | Very low | 127 Ų | 127 | 139.9 Ų | 139.9 | 68% | 0.679 | 78% | 0.777 | S | S | * | * | trans | -97.6 | 123.9 | 163.3 | -116.5 | -19.3 | 0 | 0 | 0 | 108.8 | V941 T945 | V941-N943 VanDerWaalsContact C-N 3.3Å; V941-N943 HydrophobicContact CG1-CB 4.44Å; V941-N943 PolarHBondContact O-N 2.93Å; N943-T945 PolarHBondContact O-N 2.71Å | ||
| 944 | K | 45.6 | Very low | 35.6 | Very low | 213 Ų | 213 | 144.8 Ų | 144.8 | 93% | 0.926 | 80% | 0.801 | S | S | * | * | S | Bend | trans | -67.5 | 12.9 | -169.6 | -103.5 | -175.6 | 179.5 | 179.8 | 0 | 115.4 | ||
| 945 | T | 43.9 | Very low | 35.5 | Very low | 107 Ų | 107 | 140.6 Ų | 140.6 | 66% | 0.656 | 79% | 0.789 | S | S | * | * | S | Bend | trans | -147 | 115 | 179.2 | 43.4 | 0 | 0 | 0 | 0 | 107.5 | N943 | N943-T945 PolarHBondContact O-N 2.71Š|
| 946 | T | 37.4 | Very low | 35.2 | Very low | 124 Ų | 124 | 142.8 Ų | 142.8 | 76% | 0.761 | 79% | 0.791 | S | S | * | * | trans | 73.7 | 108.5 | 170.5 | 54.3 | 0 | 0 | 0 | 0 | 117.3 | I948 | T946-I948 PolarHBondContact O-N 2.92Å; T946-I948 VanDerWaalsContact O-N 3.09Å | ||
| 947 | D | 32.9 | Very low | 35.5 | Very low | 169 Ų | 169 | 147.5 Ų | 147.5 | 90% | 0.904 | 81% | 0.811 | S | S | * | * | trans | -58.8 | 101.1 | 165.7 | -65.7 | -46.7 | 0 | 0 | 0 | 109.9 | ||||
| 948 | I | 32 | Very low | 35.1 | Very low | 137 Ų | 137 | 143.6 Ų | 143.6 | 70% | 0.703 | 81% | 0.807 | S | S | * | * | trans | -121.5 | 106.6 | 158.9 | -57.9 | 179.1 | 0 | 0 | 0 | 105.9 | T946 V950 | T946-I948 PolarHBondContact O-N 2.92Å; T946-I948 VanDerWaalsContact O-N 3.09Å; I948-V950 HydrophobicContact CG2-CG2 4.13Å | ||
| 949 | V | 31.9 | Very low | 35.2 | Very low | 141 Ų | 141 | 140.2 Ų | 140.2 | 86% | 0.855 | 80% | 0.802 | S | S | * | * | trans | -79.3 | 116.1 | 168.9 | -176.5 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 950 | V | 34 | Very low | 35.2 | Very low | 194 Ų | 194 | 142.8 Ų | 142.8 | 100% | 1.176 | 81% | 0.814 | S | S | * | * | trans | -101.7 | 0 | 165.7 | -178.4 | 0 | 0 | 0 | 0 | 108.4 | I948 | I948-V950 HydrophobicContact CG2-CG2 4.13Š|
Retrieved 950 of 950 residues in 266.6 ms
(Link to these results)