| 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 | 50.9 | Low | 71.3 | Confident | 146 Ų | 146 | 95.2 Ų | 95.2 | 72% | 0.719 | 49% | 0.487 | S | S | * | . | 0 | 125.5 | 0 | -84.3 | 180 | -75.5 | 0 | 0 | 107.6 | V3 T84 M88 | M1-V3 PolarHBondContact O-N 3.27Å; M1-T84 HydrophobicContact SD-CG2 3.91Å; M1-M88 HydrophobicContact CE-CB 4.09Å; M1-M88 HydrophobicContact CE-CG 4.26Å; M1-M88 HydrophobicContact CE-SD 3.22Å; M1-M88 WeakPolarHBondContact CE-SD 3.21Å; M1-M88 HydrophobicContact SD-SD 3.75Å | |||
| 2 | S | 50.2 | Low | 73 | Confident | 75 Ų | 75 | 87.3 Ų | 87.3 | 52% | 0.524 | 45% | 0.446 | S | S | . | . | trans | -71.2 | 122.8 | -179.7 | 55.1 | 0 | 0 | 0 | 0 | 109.2 | L4 A5 | S2-L4 PolarHBondContact O-N 3.19Å; S2-A5 PolarHBondContact O-N 2.59Å | ||
| 3 | V | 54.6 | Low | 74.2 | Confident | 130 Ų | 130 | 87.8 Ų | 87.8 | 79% | 0.788 | 44% | 0.443 | S | S | * | . | G | 310 helix | trans | -50.7 | -27.7 | 173.2 | 176.1 | 0 | 0 | 0 | 0 | 111.5 | M1 A5 L6 Q7 | M1-V3 PolarHBondContact O-N 3.27Å; V3-A5 VanDerWaalsContact C-N 3.33Å; V3-A5 PolarHBondContact O-N 3.09Å; V3-L6 PolarHBondContact O-N 3.35Å; V3-Q7 PolarHBondContact O-N 3.15Å |
| 4 | L | 58.8 | Low | 75.4 | Confident | 129 Ų | 129 | 92.6 Ų | 92.6 | 68% | 0.675 | 46% | 0.464 | S | S | * | . | G | 310 helix | trans | -60.9 | -31.5 | 176.1 | -62.7 | 172.5 | 0 | 0 | 0 | 114.5 | S2 L6 Q7 | S2-L4 PolarHBondContact O-N 3.19Å; L4-L6 VanDerWaalsContact C-N 3.27Å; L4-L6 PolarHBondContact O-N 3.08Å; L4-Q7 PolarHBondContact O-N 2.91Å |
| 5 | A | 61.9 | Low | 76.6 | Confident | 20 Ų | 20 | 88.9 Ų | 88.9 | 17% | 0.165 | 44% | 0.443 | C | S | . | . | G | 310 helix | trans | -76.6 | -15.5 | -176 | 0 | 0 | 0 | 0 | 0 | 113.4 | S2 V3 R78 S81 | S2-A5 PolarHBondContact O-N 2.59Å; V3-A5 VanDerWaalsContact C-N 3.33Å; V3-A5 PolarHBondContact O-N 3.09Å; A5-R78 PolarHBondContact O-NH1 3.38Å; A5-S81 WeakPolarHBondContact CB-OG 3.5Å |
| 6 | L | 72.1 | Confident | 77.7 | Confident | 54 Ų | 54 | 87.8 Ų | 87.8 | 28% | 0.283 | 44% | 0.439 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105 | -5.5 | 175.6 | -65 | 172.8 | 0 | 0 | 0 | 112.8 | V3 L4 E8 Y82 Y85 V106 | V3-L6 PolarHBondContact O-N 3.35Å; L4-L6 VanDerWaalsContact C-N 3.27Å; L4-L6 PolarHBondContact O-N 3.08Å; L6-E8 PolarHBondContact O-N 3.45Å; L6-Y82 HydrophobicContact CD2-CD2 4.48Å; L6-Y85 HydrophobicContact CD1-CD1 4.46Å; L6-Y85 HydrophobicContact CD1-CD2 3.61Å; L6-Y85 HydrophobicContact CD1-CE2 4.26Å; L6-Y85 HydrophobicContact CD1-CG 3.73Å; L6-V106 WeakPolarHBondContact O-CG2 2.94Å |
| 7 | Q | 82.2 | Confident | 78.5 | Confident | 121 Ų | 121 | 84.9 Ų | 84.9 | 57% | 0.565 | 42% | 0.424 | S | S | * | . | S | Bend | trans | -67.4 | 124.1 | 171.8 | -176.2 | 173 | -6.9 | 0 | 0 | 109 | V3 L4 R78 | V3-Q7 PolarHBondContact O-N 3.15Å; L4-Q7 PolarHBondContact O-N 2.91Å; Q7-R78 PolarHBondContact O-NH1 3.46Å; Q7-R78 PolarHBondContact O-NH2 3.43Å |
| 8 | E | 84.8 | Confident | 79.3 | Confident | 60 Ų | 60 | 85.8 Ų | 85.8 | 28% | 0.28 | 43% | 0.431 | S | S | . | . | P | Polyproline II helix | trans | -69.7 | 138.6 | 179.3 | -64.4 | 169.1 | -94 | 0 | 0 | 111.4 | L6 E12 K13 P105 V106 | L6-E8 PolarHBondContact O-N 3.45Å; E8-E12 WeakPolarHBondContact CA-OE2 3.47Å; E8-K13 HydrophobicContact CB-CD 4.33Å; E8-K13 HydrophobicContact CB-CG 3.63Å; E8-K13 HydrophobicContact CG-CG 4.39Å; E8-P105 HydrophobicContact CG-CB 3.65Å; E8-P105 VanDerWaalsContact OE2-CB 3.31Å; E8-P105 WeakPolarHBondContact OE2-CB 3.23Å; E8-V106 HydrophobicContact CG-CG2 4.14Å |
| 9 | Y | 89.2 | Confident | 80.2 | Confident | 108 Ų | 108 | 87.6 Ų | 87.6 | 42% | 0.424 | 44% | 0.437 | S | S | . | . | P | Polyproline II helix | trans | -77.4 | 155.2 | 164.2 | -60.2 | -52.3 | 0 | 0 | 0 | 110.4 | F11 E12 K13 | Y9-F11 AromaticContact CD2-CE1 3.59Å; Y9-F11 HydrophobicContact CD2-CE1 3.59Å; Y9-F11 AromaticContact CD2-CZ 3.87Å; Y9-F11 HydrophobicContact CD2-CZ 3.87Å; Y9-F11 HydrophobicContact CG-CD1 4.47Å; Y9-F11 AromaticContact CG-CE1 3.8Å; Y9-F11 HydrophobicContact CG-CE1 3.8Å; Y9-F11 HydrophobicContact CG-CZ 4.46Å; Y9-F11 PolarHBondContact O-N 2.89Å; Y9-E12 PolarHBondContact N-OE2 3.07Å; Y9-E12 WeakPolarHBondContact O-CB 3.39Å; Y9-E12 PolarHBondContact O-N 3.5Å; Y9-K13 PolarHBondContact O-N 3.41Å; Y9-K13 VanDerWaalsContact O-N 3.11Å |
| 10 | E | 88.9 | Confident | 80.9 | Confident | 115 Ų | 115 | 83.5 Ų | 83.5 | 54% | 0.537 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -56.6 | -37.9 | -177.9 | -69.3 | -56.1 | 123.4 | 0 | 0 | 113.1 | E12 K13 Q14 | E10-E12 VanDerWaalsContact C-N 3.33Å; E10-E12 PolarHBondContact O-N 3.05Å; E10-K13 PolarHBondContact O-N 3.19Å; E10-K13 IonicContact OE1-NZ 2.95Å; E10-K13 PolarHBondContact OE1-NZ 3.19Å; E10-Q14 WeakPolarHBondContact O-CB 3.3Å; E10-Q14 VanDerWaalsContact O-CG 3.28Å; E10-Q14 WeakPolarHBondContact O-CG 3.19Å; E10-Q14 PolarHBondContact O-N 3.2Å |
| 11 | F | 90.4 | Very high | 81.5 | Confident | 89 Ų | 89 | 80.3 Ų | 80.3 | 39% | 0.39 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -69.8 | -28.7 | 177 | 75.3 | -93.2 | 0 | 0 | 0 | 113.2 | Y9 F15 F109 W110 | Y9-F11 AromaticContact CD2-CE1 3.59Å; Y9-F11 HydrophobicContact CD2-CE1 3.59Å; Y9-F11 AromaticContact CD2-CZ 3.87Å; Y9-F11 HydrophobicContact CD2-CZ 3.87Å; Y9-F11 HydrophobicContact CG-CD1 4.47Å; Y9-F11 AromaticContact CG-CE1 3.8Å; Y9-F11 HydrophobicContact CG-CE1 3.8Å; Y9-F11 HydrophobicContact CG-CZ 4.46Å; Y9-F11 PolarHBondContact O-N 2.89Å; F11-F15 PolarHBondContact O-N 3.44Å; F11-F109 HydrophobicContact CD2-CD1 4.26Å; F11-F109 HydrophobicContact CD2-CD2 4.21Å; F11-F109 HydrophobicContact CD2-CE1 4.31Å; F11-F109 HydrophobicContact CD2-CE2 4.26Å; F11-F109 HydrophobicContact CD2-CG 4.2Å; F11-F109 HydrophobicContact CD2-CZ 4.31Å; F11-F109 AromaticContact CE2-CD1 3.57Å; F11-F109 HydrophobicContact CE2-CD1 3.57Å; F11-F109 HydrophobicContact CE2-CD2 4.33Å; F11-F109 AromaticContact CE2-CE1 3.63Å; F11-F109 HydrophobicContact CE2-CE1 3.63Å; F11-F109 HydrophobicContact CE2-CE2 4.39Å; F11-F109 AromaticContact CE2-CG 3.92Å; F11-F109 HydrophobicContact CE2-CG 3.92Å; F11-F109 HydrophobicContact CE2-CZ 4.05Å; F11-W110 HydrophobicContact CZ-CZ2 4.27Å |
| 12 | E | 91.3 | Very high | 83.7 | Confident | 0 Ų | 0 | 80 Ų | 80 | 0% | 0 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -72.5 | -40.6 | 176.4 | -64.5 | 170 | 155 | 0 | 0 | 109.7 | E8 Y9 E10 F15 R78 K108 F109 W110 | E8-E12 WeakPolarHBondContact CA-OE2 3.47Å; Y9-E12 PolarHBondContact N-OE2 3.07Å; Y9-E12 WeakPolarHBondContact O-CB 3.39Å; Y9-E12 PolarHBondContact O-N 3.5Å; E10-E12 VanDerWaalsContact C-N 3.33Å; E10-E12 PolarHBondContact O-N 3.05Å; E12-F15 WeakPolarHBondContact O-CB 3.26Å; E12-F15 PolarHBondContact O-N 3.08Å; E12-R78 IonicContact OE1-CZ 2.76Å; E12-R78 IonicContact OE1-NE 3.71Å; E12-R78 PolarHBondContact OE1-NE 3.05Å; E12-R78 IonicContact OE1-NH2 2.91Å; E12-R78 PolarHBondContact OE1-NH2 3.31Å; E12-R78 IonicContact OE2-CZ 3.73Å; E12-R78 IonicContact OE2-NE 3.3Å; E12-R78 IonicContact OE2-NH2 3.91Å; E12-R78 PolarHBondContact OE2-NH2 3.26Å; E12-K108 WeakPolarHBondContact O-CE 3.1Å; E12-F109 HydrophobicContact CG-CB 4.47Å; E12-W110 PolarHBondContact OE1-NE1 2.97Å |
| 13 | K | 89.2 | Confident | 85.9 | Confident | 95 Ų | 95 | 80.4 Ų | 80.4 | 41% | 0.413 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -61.5 | -45.4 | 175.3 | -63.7 | 178 | -172.5 | 167.1 | 0 | 112.1 | E8 Y9 E10 F15 | E8-K13 HydrophobicContact CB-CD 4.33Å; E8-K13 HydrophobicContact CB-CG 3.63Å; E8-K13 HydrophobicContact CG-CG 4.39Å; Y9-K13 PolarHBondContact O-N 3.41Å; Y9-K13 VanDerWaalsContact O-N 3.11Å; E10-K13 PolarHBondContact O-N 3.19Å; E10-K13 IonicContact OE1-NZ 2.95Å; E10-K13 PolarHBondContact OE1-NZ 3.19Å; K13-F15 PolarHBondContact O-N 3.37Å |
| 14 | Q | 91.2 | Very high | 87.9 | Confident | 155 Ų | 155 | 74.2 Ų | 74.2 | 72% | 0.724 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -74.9 | -12.3 | -177.8 | -69.3 | 175.3 | -1 | 0 | 0 | 113.5 | E10 N16 | E10-Q14 WeakPolarHBondContact O-CB 3.3Å; E10-Q14 VanDerWaalsContact O-CG 3.28Å; E10-Q14 WeakPolarHBondContact O-CG 3.19Å; E10-Q14 PolarHBondContact O-N 3.2Å; Q14-N16 PolarHBondContact O-N 3.28Å |
| 15 | F | 93.8 | Very high | 89.6 | Confident | 36 Ų | 36 | 72.7 Ų | 72.7 | 16% | 0.158 | 34% | 0.335 | C | S | . | . | trans | -68.7 | 126.4 | -179.3 | -177.4 | -103.1 | 0 | 0 | 0 | 111 | F11 E12 K13 E17 A20 K108 F109 Y112 | F11-F15 PolarHBondContact O-N 3.44Å; E12-F15 WeakPolarHBondContact O-CB 3.26Å; E12-F15 PolarHBondContact O-N 3.08Å; K13-F15 PolarHBondContact O-N 3.37Å; F15-E17 HydrophobicContact CD1-CB 4.48Å; F15-E17 HydrophobicContact CE1-CB 4.34Å; F15-E17 PolarHBondContact O-N 2.86Å; F15-E17 VanDerWaalsContact O-OE2 3.05Å; F15-A20 HydrophobicContact CE1-CB 3.98Å; F15-A20 HydrophobicContact CE2-CB 4.42Å; F15-A20 HydrophobicContact CZ-CB 3.5Å; F15-A20 VanDerWaalsContact CZ-CB 3.5Å; F15-K108 HydrophobicContact CD1-CB 4.34Å; F15-K108 HydrophobicContact CD1-CD 4.37Å; F15-K108 HydrophobicContact CD1-CG 3.96Å; F15-K108 WeakPolarHBondContact O-CE 2.86Å; F15-K108 PolarHBondContact O-NZ 3.42Å; F15-F109 HydrophobicContact CB-CB 4.3Å; F15-F109 HydrophobicContact CD1-CB 4.16Å; F15-F109 HydrophobicContact CD2-CB 4.47Å; F15-F109 AromaticContact CD2-CD2 3.71Å; F15-F109 HydrophobicContact CD2-CD2 3.71Å; F15-F109 HydrophobicContact CE2-CD2 4.08Å; F15-F109 HydrophobicContact CG-CB 4.05Å; F15-F109 HydrophobicContact CG-CD2 4.11Å; F15-Y112 AromaticContact CE2-CD1 3.77Å; F15-Y112 HydrophobicContact CE2-CD1 3.77Å; F15-Y112 HydrophobicContact CE2-CE1 4.38Å; F15-Y112 HydrophobicContact CE2-CG 4.44Å; F15-Y112 AromaticContact CZ-CD1 3.51Å; F15-Y112 HydrophobicContact CZ-CD1 3.51Å; F15-Y112 HydrophobicContact CZ-CE1 4.34Å; F15-Y112 AromaticContact CZ-CG 3.73Å; F15-Y112 HydrophobicContact CZ-CG 3.73Å | ||
| 16 | N | 93.4 | Very high | 91.2 | Very high | 71 Ų | 71 | 78.7 Ų | 78.7 | 38% | 0.38 | 36% | 0.36 | S | S | . | . | trans | -90.5 | 96.6 | 177.1 | -173.2 | -20.2 | 0 | 0 | 0 | 110.5 | Q14 D18 E19 A20 | Q14-N16 PolarHBondContact O-N 3.28Å; N16-D18 VanDerWaalsContact C-N 3.33Å; N16-D18 PolarHBondContact O-N 3.42Å; N16-D18 PolarHBondContact OD1-N 3.2Å; N16-D18 VanDerWaalsContact OD1-N 3.16Å; N16-E19 HydrophobicContact CB-CB 4.12Å; N16-E19 PolarHBondContact OD1-N 2.9Å; N16-A20 PolarHBondContact O-N 3.02Å | ||
| 17 | E | 92.3 | Very high | 92.4 | Very high | 40 Ų | 40 | 77.3 Ų | 77.3 | 19% | 0.187 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -64.1 | -35.1 | 178.3 | 62.4 | -87.1 | -149.1 | 0 | 0 | 113.1 | F15 E19 A20 I21 N103 K108 | F15-E17 HydrophobicContact CD1-CB 4.48Å; F15-E17 HydrophobicContact CE1-CB 4.34Å; F15-E17 PolarHBondContact O-N 2.86Å; F15-E17 VanDerWaalsContact O-OE2 3.05Å; E17-E19 PolarHBondContact O-N 2.96Å; E17-A20 WeakPolarHBondContact O-CB 3.41Å; E17-A20 PolarHBondContact O-N 3.25Å; E17-I21 WeakPolarHBondContact O-CB 3.12Å; E17-I21 WeakPolarHBondContact O-CD1 3.13Å; E17-I21 VanDerWaalsContact O-CG1 3.23Å; E17-I21 WeakPolarHBondContact O-CG1 3.23Å; E17-I21 PolarHBondContact O-N 3.35Å; E17-N103 HydrophobicContact CG-CB 4.05Å; E17-K108 HydrophobicContact CB-CB 4.19Å; E17-K108 HydrophobicContact CB-CD 4.29Å; E17-K108 HydrophobicContact CG-CD 4.45Å; E17-K108 IonicContact OE1-NZ 3.52Å; E17-K108 WeakPolarHBondContact OE2-CD 3.12Å; E17-K108 IonicContact OE2-NZ 2.96Å; E17-K108 PolarHBondContact OE2-NZ 3.12Å |
| 18 | D | 93 | Very high | 93 | Very high | 101 Ų | 101 | 73.9 Ų | 73.9 | 54% | 0.54 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -68.1 | -37.6 | -178 | -69.7 | -31.4 | 0 | 0 | 0 | 111.5 | N16 R22 | N16-D18 VanDerWaalsContact C-N 3.33Å; N16-D18 PolarHBondContact O-N 3.42Å; N16-D18 PolarHBondContact OD1-N 3.2Å; N16-D18 VanDerWaalsContact OD1-N 3.16Å; D18-R22 WeakPolarHBondContact O-CB 3.41Å; D18-R22 VanDerWaalsContact O-CG 3.28Å; D18-R22 WeakPolarHBondContact O-CG 3.45Å; D18-R22 PolarHBondContact O-N 3.41Å; D18-R22 VanDerWaalsContact O-N 3.07Å; D18-R22 PolarHBondContact O-NE 3.44Å |
| 19 | E | 94.9 | Very high | 93.6 | Very high | 119 Ų | 119 | 77.4 Ų | 77.4 | 56% | 0.556 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -66 | -44.2 | 171.7 | -172.8 | 177.5 | 174.4 | 0 | 0 | 111.4 | N16 E17 I21 R22 W23 | N16-E19 HydrophobicContact CB-CB 4.12Å; N16-E19 PolarHBondContact OD1-N 2.9Å; E17-E19 PolarHBondContact O-N 2.96Å; E19-I21 PolarHBondContact O-N 3.04Å; E19-R22 PolarHBondContact O-N 3.46Å; E19-W23 WeakPolarHBondContact O-CB 3.39Å; E19-W23 PolarHBondContact O-N 3.33Å |
| 20 | A | 94.6 | Very high | 93.9 | Very high | 6 Ų | 6 | 76.3 Ų | 76.3 | 5% | 0.05 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -62.2 | -43.9 | 178 | 0 | 0 | 0 | 0 | 0 | 112.6 | F15 N16 E17 W23 M24 Y112 | F15-A20 HydrophobicContact CE1-CB 3.98Å; F15-A20 HydrophobicContact CE2-CB 4.42Å; F15-A20 HydrophobicContact CZ-CB 3.5Å; F15-A20 VanDerWaalsContact CZ-CB 3.5Å; N16-A20 PolarHBondContact O-N 3.02Å; E17-A20 WeakPolarHBondContact O-CB 3.41Å; E17-A20 PolarHBondContact O-N 3.25Å; A20-W23 PolarHBondContact O-N 3.42Å; A20-M24 WeakPolarHBondContact O-CG 3.19Å; A20-M24 PolarHBondContact O-N 2.94Å; A20-Y112 HydrophobicContact CB-CD1 4.2Å; A20-Y112 HydrophobicContact CB-CD2 3.68Å; A20-Y112 HydrophobicContact CB-CE1 4.35Å; A20-Y112 HydrophobicContact CB-CE2 3.87Å; A20-Y112 HydrophobicContact CB-CG 3.85Å |
| 21 | I | 94.4 | Very high | 94.2 | Very high | 16 Ų | 16 | 70.9 Ų | 70.9 | 8% | 0.082 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -62.8 | -48.6 | 176.6 | -69.3 | 159.6 | 0 | 0 | 0 | 110.2 | E17 E19 W23 M24 Q25 Y154 M157 | E17-I21 WeakPolarHBondContact O-CB 3.12Å; E17-I21 WeakPolarHBondContact O-CD1 3.13Å; E17-I21 VanDerWaalsContact O-CG1 3.23Å; E17-I21 WeakPolarHBondContact O-CG1 3.23Å; E17-I21 PolarHBondContact O-N 3.35Å; E19-I21 PolarHBondContact O-N 3.04Å; I21-W23 VanDerWaalsContact C-N 3.35Å; I21-W23 PolarHBondContact O-N 2.91Å; I21-M24 PolarHBondContact O-N 3.18Å; I21-M24 VanDerWaalsContact O-N 3.16Å; I21-Q25 HydrophobicContact CG2-CG 4.46Å; I21-Q25 WeakPolarHBondContact O-CG 3.49Å; I21-Q25 PolarHBondContact O-N 2.73Å; I21-Y154 HydrophobicContact CG1-CE1 4.28Å; I21-M157 HydrophobicContact CD1-SD 3.51Å; I21-M157 VanDerWaalsContact CD1-SD 3.51Å; I21-M157 HydrophobicContact CG1-SD 4.07Å; I21-M157 HydrophobicContact CG2-SD 4.42Å |
| 22 | R | 96.4 | Very high | 94.6 | Very high | 141 Ų | 141 | 72.2 Ų | 72.2 | 53% | 0.532 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -59.1 | -45.7 | 176.9 | -77.3 | -176.8 | -67.6 | 172.6 | 0.8 | 111.8 | D18 E19 M24 Q25 E26 | D18-R22 WeakPolarHBondContact O-CB 3.41Å; D18-R22 VanDerWaalsContact O-CG 3.28Å; D18-R22 WeakPolarHBondContact O-CG 3.45Å; D18-R22 PolarHBondContact O-N 3.41Å; D18-R22 VanDerWaalsContact O-N 3.07Å; D18-R22 PolarHBondContact O-NE 3.44Å; E19-R22 PolarHBondContact O-N 3.46Å; R22-M24 VanDerWaalsContact C-N 3.29Å; R22-M24 PolarHBondContact O-N 3.37Å; R22-Q25 WeakPolarHBondContact O-CB 3.17Å; R22-Q25 PolarHBondContact O-N 3.05Å; R22-Q25 VanDerWaalsContact O-N 3.14Å; R22-E26 WeakPolarHBondContact O-CG 3.29Å; R22-E26 PolarHBondContact O-N 3.08Å |
| 23 | W | 96.6 | Very high | 94.8 | Very high | 83 Ų | 83 | 77.1 Ų | 77.1 | 31% | 0.314 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -58.4 | -43.3 | 176.7 | -172.5 | 94.7 | 0 | 0 | 0 | 111.3 | E19 A20 I21 E26 N27 Y112 L116 W151 | E19-W23 WeakPolarHBondContact O-CB 3.39Å; E19-W23 PolarHBondContact O-N 3.33Å; A20-W23 PolarHBondContact O-N 3.42Å; I21-W23 VanDerWaalsContact C-N 3.35Å; I21-W23 PolarHBondContact O-N 2.91Å; W23-E26 PolarHBondContact O-N 2.88Å; W23-N27 HydrophobicContact CD2-CB 4.1Å; W23-N27 HydrophobicContact CE3-CB 4.14Å; W23-N27 HydrophobicContact CH2-CB 4.15Å; W23-N27 HydrophobicContact CZ2-CB 4.1Å; W23-N27 HydrophobicContact CZ3-CB 4.17Å; W23-N27 WeakPolarHBondContact O-CB 3.15Å; W23-N27 PolarHBondContact O-N 3.26Å; W23-N27 PolarHBondContact O-ND2 3.12Å; W23-Y112 HydrophobicContact CE3-CE2 4.29Å; W23-L116 HydrophobicContact CH2-CD2 4.2Å; W23-L116 HydrophobicContact CZ3-CD2 3.87Å; W23-W151 AromaticContact CH2-CH2 3.71Å; W23-W151 HydrophobicContact CH2-CH2 3.71Å; W23-W151 AromaticContact CH2-CZ3 3.98Å; W23-W151 HydrophobicContact CH2-CZ3 3.98Å; W23-W151 AromaticContact CZ3-CH2 3.93Å; W23-W151 HydrophobicContact CZ3-CH2 3.93Å; W23-W151 HydrophobicContact CZ3-CZ3 4.02Å |
| 24 | M | 95.6 | Very high | 95.2 | Very high | 0 Ų | 0 | 76 Ų | 76 | 0% | 0 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -65.2 | -40.2 | 176.7 | -72.5 | -61.2 | -51.5 | 0 | 0 | 112.3 | A20 I21 R22 E26 N27 W28 Y112 V115 L116 W151 Y154 | A20-M24 WeakPolarHBondContact O-CG 3.19Å; A20-M24 PolarHBondContact O-N 2.94Å; I21-M24 PolarHBondContact O-N 3.18Å; I21-M24 VanDerWaalsContact O-N 3.16Å; R22-M24 VanDerWaalsContact C-N 3.29Å; R22-M24 PolarHBondContact O-N 3.37Å; M24-E26 VanDerWaalsContact C-N 3.31Å; M24-E26 PolarHBondContact O-N 2.83Å; M24-N27 PolarHBondContact O-N 3.42Å; M24-W28 VanDerWaalsContact O-CB 3.25Å; M24-W28 WeakPolarHBondContact O-CB 3.29Å; M24-W28 PolarHBondContact O-N 3.3Å; M24-Y112 HydrophobicContact CG-CD2 4.08Å; M24-Y112 HydrophobicContact CG-CE2 3.76Å; M24-Y112 HydrophobicContact SD-CE2 4.01Å; M24-V115 HydrophobicContact CE-CG1 3.51Å; M24-V115 HydrophobicContact SD-CG1 4.27Å; M24-L116 HydrophobicContact SD-CD2 4.47Å; M24-W151 HydrophobicContact CE-CB 4Å; M24-W151 HydrophobicContact CE-CD2 3.96Å; M24-W151 HydrophobicContact CE-CE3 4.2Å; M24-W151 HydrophobicContact CE-CG 3.92Å; M24-Y154 HydrophobicContact CB-CD1 3.67Å; M24-Y154 HydrophobicContact CB-CE1 4.04Å; M24-Y154 HydrophobicContact CE-CD1 4.44Å; M24-Y154 HydrophobicContact CG-CD1 3.46Å; M24-Y154 VanDerWaalsContact CG-CD1 3.46Å; M24-Y154 HydrophobicContact CG-CE1 3.61Å; M24-Y154 HydrophobicContact CG-CG 4.46Å |
| 25 | Q | 94.8 | Very high | 95.5 | Very high | 96 Ų | 96 | 69 Ų | 69 | 45% | 0.449 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -61.6 | -37.7 | 175.9 | -72.1 | 172.7 | -14.7 | 0 | 0 | 112.8 | I21 R22 W28 K155 | I21-Q25 HydrophobicContact CG2-CG 4.46Å; I21-Q25 WeakPolarHBondContact O-CG 3.49Å; I21-Q25 PolarHBondContact O-N 2.73Å; R22-Q25 WeakPolarHBondContact O-CB 3.17Å; R22-Q25 PolarHBondContact O-N 3.05Å; R22-Q25 VanDerWaalsContact O-N 3.14Å; Q25-W28 VanDerWaalsContact O-CD1 3.24Å; Q25-K155 HydrophobicContact CG-CB 4.13Å; Q25-K155 WeakPolarHBondContact CG-O 3.24Å; Q25-K155 PolarHBondContact NE2-O 2.83Å |
| 26 | E | 96.5 | Very high | 95.7 | Very high | 147 Ų | 147 | 70.2 Ų | 70.2 | 69% | 0.687 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -78 | -34.7 | 177.7 | -69.5 | 173.7 | -179.1 | 0 | 0 | 112.6 | R22 W23 M24 | R22-E26 WeakPolarHBondContact O-CG 3.29Å; R22-E26 PolarHBondContact O-N 3.08Å; W23-E26 PolarHBondContact O-N 2.88Å; M24-E26 VanDerWaalsContact C-N 3.31Å; M24-E26 PolarHBondContact O-N 2.83Å |
| 27 | N | 96.7 | Very high | 95.9 | Very high | 24 Ų | 24 | 71.7 Ų | 71.7 | 13% | 0.128 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -114 | -1.4 | -163.7 | -61.4 | -77.9 | 0 | 0 | 0 | 115 | W23 M24 K29 K30 | W23-N27 HydrophobicContact CD2-CB 4.1Å; W23-N27 HydrophobicContact CE3-CB 4.14Å; W23-N27 HydrophobicContact CH2-CB 4.15Å; W23-N27 HydrophobicContact CZ2-CB 4.1Å; W23-N27 HydrophobicContact CZ3-CB 4.17Å; W23-N27 WeakPolarHBondContact O-CB 3.15Å; W23-N27 PolarHBondContact O-N 3.26Å; W23-N27 PolarHBondContact O-ND2 3.12Å; M24-N27 PolarHBondContact O-N 3.42Å; N27-K29 PolarHBondContact O-N 3.47Å; N27-K30 HydrophobicContact CB-CD 4.03Å; N27-K30 HydrophobicContact CB-CG 4.44Å; N27-K30 VanDerWaalsContact O-CB 3.29Å; N27-K30 WeakPolarHBondContact O-CB 3.27Å; N27-K30 WeakPolarHBondContact O-CG 3.43Å; N27-K30 PolarHBondContact O-N 3.4Å; N27-K30 WeakPolarHBondContact OD1-CE 3.36Å; N27-K30 PolarHBondContact OD1-NZ 3.48Å |
| 28 | W | 95.3 | Very high | 96.1 | Very high | 49 Ų | 49 | 70.2 Ų | 70.2 | 19% | 0.186 | 33% | 0.333 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.9 | -31.7 | -177.8 | 70.4 | -87.6 | 0 | 0 | 0 | 113.2 | M24 Q25 K30 S31 F32 W151 Y152 K155 | M24-W28 VanDerWaalsContact O-CB 3.25Å; M24-W28 WeakPolarHBondContact O-CB 3.29Å; M24-W28 PolarHBondContact O-N 3.3Å; Q25-W28 VanDerWaalsContact O-CD1 3.24Å; W28-K30 PolarHBondContact O-N 3.45Å; W28-S31 VanDerWaalsContact O-CB 3.31Å; W28-S31 WeakPolarHBondContact O-CB 3.42Å; W28-S31 PolarHBondContact O-N 3.12Å; W28-S31 VanDerWaalsContact O-N 3.16Å; W28-S31 PolarHBondContact O-OG 3.45Å; W28-F32 HydrophobicContact CE3-CE2 4.36Å; W28-F32 HydrophobicContact CH2-CE2 4.17Å; W28-F32 AromaticContact CZ3-CE2 3.6Å; W28-F32 HydrophobicContact CZ3-CE2 3.6Å; W28-F32 HydrophobicContact CZ3-CZ 4.2Å; W28-W151 HydrophobicContact CB-CB 4.35Å; W28-W151 WeakPolarHBondContact CB-O 3.31Å; W28-Y152 HydrophobicContact CE3-CD2 4.1Å; W28-Y152 HydrophobicContact CH2-CD2 4.08Å; W28-Y152 AromaticContact CZ3-CD2 3.79Å; W28-Y152 HydrophobicContact CZ3-CD2 3.79Å; W28-K155 HydrophobicContact CD2-CD 4.03Å; W28-K155 HydrophobicContact CG-CD 3.83Å |
| 29 | K | 96.3 | Very high | 96.3 | Very high | 134 Ų | 134 | 67.2 Ų | 67.2 | 58% | 0.583 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | -19.4 | 178.1 | -63.4 | -179.8 | -176.5 | 172.6 | 0 | 113.4 | N27 S31 F32 | N27-K29 PolarHBondContact O-N 3.47Å; K29-S31 PolarHBondContact O-N 3.37Å; K29-F32 HydrophobicContact CB-CD2 4.43Å; K29-F32 WeakPolarHBondContact O-CB 3.21Å; K29-F32 WeakPolarHBondContact O-CD2 3.41Å; K29-F32 PolarHBondContact O-N 3.07Å |
| 30 | K | 95.8 | Very high | 96.4 | Very high | 86 Ų | 86 | 64.4 Ų | 64.4 | 37% | 0.374 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -61.1 | -22.6 | 174 | -65.8 | -178.4 | -175.5 | 162.9 | 0 | 112.3 | N27 W28 F32 L33 F34 W151 | N27-K30 HydrophobicContact CB-CD 4.03Å; N27-K30 HydrophobicContact CB-CG 4.44Å; N27-K30 VanDerWaalsContact O-CB 3.29Å; N27-K30 WeakPolarHBondContact O-CB 3.27Å; N27-K30 WeakPolarHBondContact O-CG 3.43Å; N27-K30 PolarHBondContact O-N 3.4Å; N27-K30 WeakPolarHBondContact OD1-CE 3.36Å; N27-K30 PolarHBondContact OD1-NZ 3.48Å; W28-K30 PolarHBondContact O-N 3.45Å; K30-F32 PolarHBondContact O-N 3.02Å; K30-L33 WeakPolarHBondContact O-CB 3.42Å; K30-L33 PolarHBondContact O-N 2.87Å; K30-F34 HydrophobicContact CB-CE2 4.49Å; K30-F34 PolarHBondContact O-N 3.2Å; K30-W151 HydrophobicContact CB-CZ3 3.97Å |
| 31 | S | 96.6 | Very high | 96.5 | Very high | 1 Ų | 1 | 67.4 Ų | 67.4 | 1% | 0.007 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -56.8 | -32.4 | 172.3 | 62.7 | 0 | 0 | 0 | 0 | 113.1 | W28 K29 S35 | W28-S31 VanDerWaalsContact O-CB 3.31Å; W28-S31 WeakPolarHBondContact O-CB 3.42Å; W28-S31 PolarHBondContact O-N 3.12Å; W28-S31 VanDerWaalsContact O-N 3.16Å; W28-S31 PolarHBondContact O-OG 3.45Å; K29-S31 PolarHBondContact O-N 3.37Å; S31-S35 WeakPolarHBondContact O-CB 3.24Å; S31-S35 PolarHBondContact O-N 3.05Å; S31-S35 PolarHBondContact O-OG 3.08Å |
| 32 | F | 97.5 | Very high | 96.6 | Very high | 117 Ų | 117 | 67.3 Ų | 67.3 | 51% | 0.513 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -67.3 | -42.7 | 173.8 | -68.2 | -72 | 0 | 0 | 0 | 111.9 | W28 K29 K30 S35 A36 L148 | W28-F32 HydrophobicContact CE3-CE2 4.36Å; W28-F32 HydrophobicContact CH2-CE2 4.17Å; W28-F32 AromaticContact CZ3-CE2 3.6Å; W28-F32 HydrophobicContact CZ3-CE2 3.6Å; W28-F32 HydrophobicContact CZ3-CZ 4.2Å; K29-F32 HydrophobicContact CB-CD2 4.43Å; K29-F32 WeakPolarHBondContact O-CB 3.21Å; K29-F32 WeakPolarHBondContact O-CD2 3.41Å; K29-F32 PolarHBondContact O-N 3.07Å; K30-F32 PolarHBondContact O-N 3.02Å; F32-S35 PolarHBondContact O-N 3.1Å; F32-A36 WeakPolarHBondContact O-CB 3.41Å; F32-A36 PolarHBondContact O-N 2.82Å; F32-L148 HydrophobicContact CD1-CD2 3.61Å; F32-L148 HydrophobicContact CE1-CD2 3.86Å; F32-L148 HydrophobicContact CG-CD2 4.04Å; F32-L148 HydrophobicContact CZ-CD2 4.5Å |
| 33 | L | 96.9 | Very high | 96.5 | Very high | 103 Ų | 103 | 66.7 Ų | 66.7 | 54% | 0.539 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -62.1 | -47.6 | 175.7 | 176.5 | 61.9 | 0 | 0 | 0 | 110.7 | K30 S35 A36 L37 | K30-L33 WeakPolarHBondContact O-CB 3.42Å; K30-L33 PolarHBondContact O-N 2.87Å; L33-S35 VanDerWaalsContact C-N 3.31Å; L33-S35 PolarHBondContact O-N 2.89Å; L33-A36 PolarHBondContact O-N 2.85Å; L33-L37 HydrophobicContact CD1-CD1 4.31Å; L33-L37 HydrophobicContact CD1-CG 4.27Å; L33-L37 HydrophobicContact CG-CD1 4.18Å; L33-L37 WeakPolarHBondContact O-CG 3.34Å; L33-L37 PolarHBondContact O-N 2.93Å |
| 34 | F | 97.3 | Very high | 96.5 | Very high | 70 Ų | 70 | 64.4 Ų | 64.4 | 31% | 0.307 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -60.2 | -40.3 | 175.9 | -64.7 | -26.4 | 0 | 0 | 0 | 112.4 | K30 L37 Y38 A119 L147 W151 | K30-F34 HydrophobicContact CB-CE2 4.49Å; K30-F34 PolarHBondContact O-N 3.2Å; F34-L37 PolarHBondContact O-N 3.29Å; F34-Y38 WeakPolarHBondContact O-CB 3.26Å; F34-Y38 PolarHBondContact O-N 3.43Å; F34-A119 HydrophobicContact CD2-CB 4.1Å; F34-A119 HydrophobicContact CE2-CB 4.26Å; F34-L147 HydrophobicContact CB-CD2 3.84Å; F34-W151 HydrophobicContact CD2-CH2 4.34Å; F34-W151 HydrophobicContact CD2-CZ2 4.49Å; F34-W151 AromaticContact CE2-CH2 3.66Å; F34-W151 HydrophobicContact CE2-CH2 3.66Å; F34-W151 HydrophobicContact CE2-CZ2 4.08Å; F34-W151 HydrophobicContact CE2-CZ3 4.27Å |
| 35 | S | 97.4 | Very high | 96.4 | Very high | 9 Ų | 9 | 65 Ų | 65 | 6% | 0.063 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -64.9 | -40.3 | 175.7 | -62 | 0 | 0 | 0 | 0 | 112.6 | S31 F32 L33 Y38 A39 L148 | S31-S35 WeakPolarHBondContact O-CB 3.24Å; S31-S35 PolarHBondContact O-N 3.05Å; S31-S35 PolarHBondContact O-OG 3.08Å; F32-S35 PolarHBondContact O-N 3.1Å; L33-S35 VanDerWaalsContact C-N 3.31Å; L33-S35 PolarHBondContact O-N 2.89Å; S35-Y38 WeakPolarHBondContact O-CB 3.27Å; S35-Y38 PolarHBondContact O-N 3.29Å; S35-A39 WeakPolarHBondContact O-CB 3.5Å; S35-A39 PolarHBondContact O-N 3.4Å; S35-L148 WeakPolarHBondContact OG-CD2 3.29Å; S35-L148 WeakPolarHBondContact OG-CG 3.37Å |
| 36 | A | 97.4 | Very high | 96.4 | Very high | 61 Ų | 61 | 67.1 Ų | 67.1 | 50% | 0.504 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -65.5 | -45.6 | 176 | 0 | 0 | 0 | 0 | 0 | 111.6 | F32 L33 Y38 A39 A40 | F32-A36 WeakPolarHBondContact O-CB 3.41Å; F32-A36 PolarHBondContact O-N 2.82Å; L33-A36 PolarHBondContact O-N 2.85Å; A36-Y38 VanDerWaalsContact C-N 3.3Å; A36-Y38 PolarHBondContact O-N 2.89Å; A36-A39 PolarHBondContact O-N 3.23Å; A36-A40 WeakPolarHBondContact O-CB 3.07Å; A36-A40 PolarHBondContact O-N 2.86Å |
| 37 | L | 97.1 | Very high | 96.3 | Very high | 103 Ų | 103 | 67.1 Ų | 67.1 | 54% | 0.539 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -60.9 | -41.1 | 174.9 | -70.4 | 174.8 | 0 | 0 | 0 | 111.5 | L33 F34 A40 F41 | L33-L37 HydrophobicContact CD1-CD1 4.31Å; L33-L37 HydrophobicContact CD1-CG 4.27Å; L33-L37 HydrophobicContact CG-CD1 4.18Å; L33-L37 WeakPolarHBondContact O-CG 3.34Å; L33-L37 PolarHBondContact O-N 2.93Å; F34-L37 PolarHBondContact O-N 3.29Å; L37-A40 PolarHBondContact O-N 3.07Å; L37-F41 VanDerWaalsContact O-CB 3.29Å; L37-F41 WeakPolarHBondContact O-CB 3.38Å; L37-F41 PolarHBondContact O-N 2.81Å |
| 38 | Y | 97.5 | Very high | 96.2 | Very high | 9 Ų | 9 | 69.6 Ų | 69.6 | 4% | 0.035 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -62.2 | -45.9 | 175.9 | 174.7 | -110.6 | 0 | 0 | 0 | 112.6 | F34 S35 A36 F41 I42 L122 T125 W140 M144 | F34-Y38 WeakPolarHBondContact O-CB 3.26Å; F34-Y38 PolarHBondContact O-N 3.43Å; S35-Y38 WeakPolarHBondContact O-CB 3.27Å; S35-Y38 PolarHBondContact O-N 3.29Å; A36-Y38 VanDerWaalsContact C-N 3.3Å; A36-Y38 PolarHBondContact O-N 2.89Å; Y38-F41 WeakPolarHBondContact O-CB 3.36Å; Y38-F41 PolarHBondContact O-N 3.23Å; Y38-I42 HydrophobicContact CD1-CD1 3.98Å; Y38-I42 HydrophobicContact CD2-CD1 4.44Å; Y38-I42 HydrophobicContact CE1-CD1 3.52Å; Y38-I42 HydrophobicContact CE2-CD1 4.03Å; Y38-I42 HydrophobicContact CE2-CG1 4.45Å; Y38-I42 HydrophobicContact CG-CD1 4.42Å; Y38-I42 WeakPolarHBondContact O-CG1 3.46Å; Y38-I42 PolarHBondContact O-N 3.12Å; Y38-L122 HydrophobicContact CD1-CD2 4.34Å; Y38-L122 HydrophobicContact CD2-CB 3.86Å; Y38-L122 HydrophobicContact CD2-CD1 4.14Å; Y38-L122 HydrophobicContact CD2-CD2 3.86Å; Y38-L122 HydrophobicContact CD2-CG 4.17Å; Y38-L122 HydrophobicContact CE1-CD2 4.38Å; Y38-L122 HydrophobicContact CE2-CB 4.06Å; Y38-L122 HydrophobicContact CE2-CD2 3.9Å; Y38-L122 HydrophobicContact CE2-CG 4.49Å; Y38-L122 HydrophobicContact CG-CD1 4.21Å; Y38-L122 HydrophobicContact CG-CD2 4.07Å; Y38-T125 HydrophobicContact CE2-CG2 3.86Å; Y38-T125 WeakPolarHBondContact CE2-OG1 3.33Å; Y38-T125 PolarHBondContact OH-OG1 3.45Å; Y38-W140 HydrophobicContact CE1-CB 4.26Å; Y38-W140 VanDerWaalsContact OH-CA 3.28Å; Y38-W140 WeakPolarHBondContact OH-CA 3.39Å; Y38-W140 WeakPolarHBondContact OH-CB 3.48Å; Y38-M144 HydrophobicContact CD1-CB 4.3Å; Y38-M144 HydrophobicContact CE1-CB 4.18Å |
| 39 | A | 96.8 | Very high | 96.2 | Very high | 37 Ų | 37 | 67.7 Ų | 67.7 | 31% | 0.306 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -63.1 | -45 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | S35 A36 F41 I42 L43 | S35-A39 WeakPolarHBondContact O-CB 3.5Å; S35-A39 PolarHBondContact O-N 3.4Å; A36-A39 PolarHBondContact O-N 3.23Å; A39-F41 VanDerWaalsContact C-N 3.3Å; A39-F41 PolarHBondContact O-N 3.39Å; A39-I42 PolarHBondContact O-N 3.15Å; A39-L43 WeakPolarHBondContact O-CG 3.45Å; A39-L43 PolarHBondContact O-N 3.24Å |
| 40 | A | 97 | Very high | 96.1 | Very high | 60 Ų | 60 | 68.5 Ų | 68.5 | 50% | 0.496 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -59.4 | -42.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | A36 L37 L43 G44 | A36-A40 WeakPolarHBondContact O-CB 3.07Å; A36-A40 PolarHBondContact O-N 2.86Å; L37-A40 PolarHBondContact O-N 3.07Å; A40-L43 PolarHBondContact O-N 3.12Å; A40-G44 PolarHBondContact O-N 3Å |
| 41 | F | 96.3 | Very high | 96 | Very high | 70 Ų | 70 | 74.4 Ų | 74.4 | 31% | 0.307 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -61.8 | -44.3 | 175.1 | 170.2 | -94.7 | 0 | 0 | 0 | 112.1 | L37 Y38 A39 L43 G45 L126 V129 | L37-F41 VanDerWaalsContact O-CB 3.29Å; L37-F41 WeakPolarHBondContact O-CB 3.38Å; L37-F41 PolarHBondContact O-N 2.81Å; Y38-F41 WeakPolarHBondContact O-CB 3.36Å; Y38-F41 PolarHBondContact O-N 3.23Å; A39-F41 VanDerWaalsContact C-N 3.3Å; A39-F41 PolarHBondContact O-N 3.39Å; F41-L43 PolarHBondContact O-N 2.81Å; F41-G45 VanDerWaalsContact O-CA 3.24Å; F41-G45 WeakPolarHBondContact O-CA 3.39Å; F41-G45 PolarHBondContact O-N 3.35Å; F41-L126 HydrophobicContact CE1-CB 4.15Å; F41-L126 HydrophobicContact CE1-CD1 4.1Å; F41-L126 HydrophobicContact CE2-CD1 3.45Å; F41-L126 VanDerWaalsContact CE2-CD1 3.45Å; F41-L126 HydrophobicContact CZ-CB 4.06Å; F41-L126 HydrophobicContact CZ-CD1 3.19Å; F41-L126 HydrophobicContact CZ-CG 4.22Å; F41-V129 HydrophobicContact CE1-CB 4.25Å; F41-V129 HydrophobicContact CE1-CG2 4.21Å; F41-V129 HydrophobicContact CZ-CB 4.25Å; F41-V129 HydrophobicContact CZ-CG1 4.3Å |
| 42 | I | 96.1 | Very high | 95.8 | Very high | 13 Ų | 13 | 81.5 Ų | 81.5 | 7% | 0.067 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -60.1 | -48.3 | 177.2 | -71.3 | 165.9 | 0 | 0 | 0 | 110.7 | Y38 A39 R46 T125 L135 W140 | Y38-I42 HydrophobicContact CD1-CD1 3.98Å; Y38-I42 HydrophobicContact CD2-CD1 4.44Å; Y38-I42 HydrophobicContact CE1-CD1 3.52Å; Y38-I42 HydrophobicContact CE2-CD1 4.03Å; Y38-I42 HydrophobicContact CE2-CG1 4.45Å; Y38-I42 HydrophobicContact CG-CD1 4.42Å; Y38-I42 WeakPolarHBondContact O-CG1 3.46Å; Y38-I42 PolarHBondContact O-N 3.12Å; A39-I42 PolarHBondContact O-N 3.15Å; I42-R46 VanDerWaalsContact O-CB 3.27Å; I42-R46 WeakPolarHBondContact O-CB 3.46Å; I42-R46 WeakPolarHBondContact O-CG 3.47Å; I42-R46 PolarHBondContact O-N 3.31Å; I42-R46 VanDerWaalsContact O-N 3.07Å; I42-T125 HydrophobicContact CD1-CG2 4.06Å; I42-T125 HydrophobicContact CG1-CG2 3.77Å; I42-L135 HydrophobicContact CD1-CD2 4.28Å; I42-L135 HydrophobicContact CG1-CD2 4.11Å; I42-L135 HydrophobicContact CG2-CD2 3.62Å; I42-W140 HydrophobicContact CD1-CB 3.73Å; I42-W140 HydrophobicContact CD1-CG 4.34Å |
| 43 | L | 95.5 | Very high | 95.6 | Very high | 129 Ų | 129 | 84 Ų | 84 | 68% | 0.675 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -67.4 | -52.1 | -177.1 | -65.3 | 174.7 | 0 | 0 | 0 | 111.4 | A39 A40 F41 R47 | A39-L43 WeakPolarHBondContact O-CG 3.45Å; A39-L43 PolarHBondContact O-N 3.24Å; A40-L43 PolarHBondContact O-N 3.12Å; F41-L43 PolarHBondContact O-N 2.81Å; L43-R47 PolarHBondContact O-N 3.16Å; L43-R47 VanDerWaalsContact O-N 3.12Å |
| 44 | G | 95.7 | Very high | 95.4 | Very high | 34 Ų | 34 | 85 Ų | 85 | 35% | 0.351 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -65.3 | -47.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | A40 R46 R47 V48 | A40-G44 PolarHBondContact O-N 3Å; G44-R46 PolarHBondContact O-N 3.12Å; G44-R47 WeakPolarHBondContact O-CB 3.17Å; G44-R47 PolarHBondContact O-N 2.88Å; G44-V48 WeakPolarHBondContact O-CG2 3.4Å; G44-V48 PolarHBondContact O-N 3.32Å |
| 45 | G | 94 | Very high | 95.3 | Very high | 13 Ų | 13 | 85.8 Ų | 85.8 | 13% | 0.134 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -58.7 | -44.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | F41 R47 V48 M49 | F41-G45 VanDerWaalsContact O-CA 3.24Å; F41-G45 WeakPolarHBondContact O-CA 3.39Å; F41-G45 PolarHBondContact O-N 3.35Å; G45-R47 VanDerWaalsContact C-N 3.34Å; G45-R47 PolarHBondContact O-N 2.78Å; G45-V48 PolarHBondContact O-N 3.19Å; G45-M49 VanDerWaalsContact O-CB 3.26Å; G45-M49 WeakPolarHBondContact O-CB 3.42Å; G45-M49 WeakPolarHBondContact O-CG 3.34Å; G45-M49 PolarHBondContact O-N 2.86Å |
| 46 | R | 94.1 | Very high | 95 | Very high | 141 Ų | 141 | 91 Ų | 91 | 53% | 0.532 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -63.4 | -38.3 | 174 | -72.9 | 178.6 | 75.1 | -177.7 | 3.2 | 112.2 | I42 G44 K50 V129 | I42-R46 VanDerWaalsContact O-CB 3.27Å; I42-R46 WeakPolarHBondContact O-CB 3.46Å; I42-R46 WeakPolarHBondContact O-CG 3.47Å; I42-R46 PolarHBondContact O-N 3.31Å; I42-R46 VanDerWaalsContact O-N 3.07Å; G44-R46 PolarHBondContact O-N 3.12Å; R46-K50 WeakPolarHBondContact O-CG 3.41Å; R46-K50 PolarHBondContact O-N 3.4Å; R46-V129 HydrophobicContact CG-CG1 4.34Å; R46-V129 HydrophobicContact CG-CG2 4.36Å |
| 47 | R | 94.7 | Very high | 94.8 | Very high | 147 Ų | 147 | 89.9 Ų | 89.9 | 56% | 0.555 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -66.7 | -44.3 | 178.8 | -175.6 | 60.5 | 171.1 | 147.8 | -8.4 | 112 | L43 G44 G45 K50 | L43-R47 PolarHBondContact O-N 3.16Å; L43-R47 VanDerWaalsContact O-N 3.12Å; G44-R47 WeakPolarHBondContact O-CB 3.17Å; G44-R47 PolarHBondContact O-N 2.88Å; G45-R47 VanDerWaalsContact C-N 3.34Å; G45-R47 PolarHBondContact O-N 2.78Å; R47-K50 PolarHBondContact O-N 3.05Å |
| 48 | V | 95.6 | Very high | 94.5 | Very high | 76 Ų | 76 | 91.8 Ų | 91.8 | 46% | 0.461 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -66.2 | -47.4 | 177.6 | 172.9 | 0 | 0 | 0 | 0 | 110.6 | G44 G45 K50 R51 | G44-V48 WeakPolarHBondContact O-CG2 3.4Å; G44-V48 PolarHBondContact O-N 3.32Å; G45-V48 PolarHBondContact O-N 3.19Å; V48-K50 PolarHBondContact O-N 3.03Å; V48-R51 PolarHBondContact O-N 3.23Å; V48-R51 VanDerWaalsContact O-N 3.09Å |
| 49 | M | 95.4 | Very high | 94.4 | Very high | 9 Ų | 9 | 100.1 Ų | 100.1 | 4% | 0.044 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -65.7 | -20.8 | -178.5 | -70.1 | -58.5 | -60.2 | 0 | 0 | 113.3 | G45 R51 R52 E53 F55 V129 L130 K132 | G45-M49 VanDerWaalsContact O-CB 3.26Å; G45-M49 WeakPolarHBondContact O-CB 3.42Å; G45-M49 WeakPolarHBondContact O-CG 3.34Å; G45-M49 PolarHBondContact O-N 2.86Å; M49-R51 PolarHBondContact O-N 3.44Å; M49-R52 PolarHBondContact O-N 2.92Å; M49-R52 VanDerWaalsContact O-O 3.08Å; M49-R52 HydrophobicContact SD-CB 4.39Å; M49-E53 WeakPolarHBondContact CE-O 3.49Å; M49-F55 HydrophobicContact CE-CD2 3.72Å; M49-F55 HydrophobicContact CE-CE2 3.85Å; M49-F55 HydrophobicContact SD-CD2 4Å; M49-F55 HydrophobicContact SD-CE2 3.6Å; M49-F55 VanDerWaalsContact SD-CE2 3.6Å; M49-V129 HydrophobicContact CG-CG1 4.25Å; M49-L130 WeakPolarHBondContact CE-O 3.19Å; M49-L130 HydrophobicContact CG-CD2 4.44Å; M49-L130 HydrophobicContact SD-CD2 3.98Å; M49-K132 HydrophobicContact CE-CG 4.02Å; M49-K132 WeakPolarHBondContact O-CE 3.48Å; M49-K132 PolarHBondContact O-NZ 2.86Å; M49-K132 VanDerWaalsContact O-NZ 3.07Å |
| 50 | K | 92.3 | Very high | 94.4 | Very high | 151 Ų | 151 | 101.4 Ų | 101.4 | 66% | 0.657 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | -34 | 171.7 | -81.1 | 175.7 | -179.1 | -173.1 | 0 | 112.5 | R46 R47 V48 | R46-K50 WeakPolarHBondContact O-CG 3.41Å; R46-K50 PolarHBondContact O-N 3.4Å; R47-K50 PolarHBondContact O-N 3.05Å; V48-K50 PolarHBondContact O-N 3.03Å |
| 51 | R | 93.9 | Very high | 94.3 | Very high | 210 Ų | 210 | 99.7 Ų | 99.7 | 79% | 0.792 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.3 | -5.5 | -176.8 | -63.5 | -176.7 | 176.8 | -179.2 | -1.3 | 114.4 | V48 M49 | V48-R51 PolarHBondContact O-N 3.23Å; V48-R51 VanDerWaalsContact O-N 3.09Å; M49-R51 PolarHBondContact O-N 3.44Å |
| 52 | R | 93 | Very high | 94.3 | Very high | 149 Ų | 149 | 96.8 Ų | 96.8 | 56% | 0.562 | 44% | 0.441 | S | S | * | . | S | Bend | trans | -112.3 | 162.2 | -178.1 | -65.3 | -168.3 | 176 | -163.2 | -1 | 110.9 | M49 K132 | M49-R52 PolarHBondContact O-N 2.92Å; M49-R52 VanDerWaalsContact O-O 3.08Å; M49-R52 HydrophobicContact SD-CB 4.39Å; R52-K132 WeakPolarHBondContact O-CE 3.38Å; R52-K132 PolarHBondContact O-NZ 3.41Å |
| 53 | E | 92.8 | Very high | 94.3 | Very high | 171 Ų | 171 | 101.7 Ų | 101.7 | 80% | 0.799 | 47% | 0.466 | S | S | * | . | P | Polyproline II helix | trans | -73.9 | 165.8 | 170 | -62.8 | -166.8 | 152.5 | 0 | 0 | 111.8 | M49 | M49-E53 WeakPolarHBondContact CE-O 3.49Š|
| 54 | K | 94.4 | Very high | 94.4 | Very high | 124 Ų | 124 | 99.1 Ų | 99.1 | 54% | 0.539 | 45% | 0.448 | S | S | . | . | P | Polyproline II helix | trans | -69.2 | 142.1 | 174.9 | 62.7 | 177.8 | -178 | 162.9 | 0 | 109.4 | E56 K132 | K54-E56 VanDerWaalsContact CE-OE1 3.23Å; K54-E56 WeakPolarHBondContact CE-OE1 3.3Å; K54-E56 IonicContact NZ-OE1 2.62Å; K54-E56 PolarHBondContact NZ-OE1 2.92Å; K54-K132 HydrophobicContact CB-CB 4.33Å; K54-K132 HydrophobicContact CB-CD 4.18Å; K54-K132 HydrophobicContact CB-CG 4.17Å |
| 55 | F | 93.4 | Very high | 94.5 | Very high | 85 Ų | 85 | 97.7 Ų | 97.7 | 37% | 0.373 | 43% | 0.432 | S | S | . | . | P | Polyproline II helix | trans | -85.1 | 139.4 | 172.3 | -67.6 | -79.9 | 0 | 0 | 0 | 111.4 | M49 L57 L130 | M49-F55 HydrophobicContact CE-CD2 3.72Å; M49-F55 HydrophobicContact CE-CE2 3.85Å; M49-F55 HydrophobicContact SD-CD2 4Å; M49-F55 HydrophobicContact SD-CE2 3.6Å; M49-F55 VanDerWaalsContact SD-CE2 3.6Å; F55-L57 HydrophobicContact CB-CD1 4.03Å; F55-L57 HydrophobicContact CB-CD2 4.18Å; F55-L57 HydrophobicContact CB-CG 3.72Å; F55-L57 PolarHBondContact O-N 3.32Å; F55-L57 VanDerWaalsContact O-N 3.15Å; F55-L130 HydrophobicContact CD2-CB 4.07Å; F55-L130 HydrophobicContact CD2-CD2 4.12Å; F55-L130 HydrophobicContact CE2-CD2 4.14Å; F55-L130 PolarHBondContact N-O 3.21Å; F55-L130 VanDerWaalsContact N-O 3.08Å |
| 56 | E | 92.6 | Very high | 94.7 | Very high | 119 Ų | 119 | 101.4 Ų | 101.4 | 56% | 0.556 | 45% | 0.449 | S | S | * | . | trans | -87.3 | 74.2 | 174 | -70.4 | -60.9 | 149.4 | 0 | 0 | 110.9 | K54 R58 | K54-E56 VanDerWaalsContact CE-OE1 3.23Å; K54-E56 WeakPolarHBondContact CE-OE1 3.3Å; K54-E56 IonicContact NZ-OE1 2.62Å; K54-E56 PolarHBondContact NZ-OE1 2.92Å; E56-R58 VanDerWaalsContact C-N 3.32Å; E56-R58 PolarHBondContact O-N 2.93Å | ||
| 57 | L | 93 | Very high | 94.9 | Very high | 37 Ų | 37 | 98.7 Ų | 98.7 | 19% | 0.194 | 45% | 0.448 | C | S | . | . | trans | -92 | 30.4 | -176.1 | -59.9 | 175.9 | 0 | 0 | 0 | 113.8 | F55 P60 L61 F127 L130 R131 | F55-L57 HydrophobicContact CB-CD1 4.03Å; F55-L57 HydrophobicContact CB-CD2 4.18Å; F55-L57 HydrophobicContact CB-CG 3.72Å; F55-L57 PolarHBondContact O-N 3.32Å; F55-L57 VanDerWaalsContact O-N 3.15Å; L57-P60 WeakPolarHBondContact O-CD 3.49Å; L57-L61 WeakPolarHBondContact O-CB 3.2Å; L57-L61 PolarHBondContact O-N 3.44Å; L57-F127 HydrophobicContact CB-CD1 3.99Å; L57-F127 HydrophobicContact CB-CE1 4.15Å; L57-F127 HydrophobicContact CD1-CD1 4.01Å; L57-F127 HydrophobicContact CD1-CE1 4.33Å; L57-L130 HydrophobicContact CD1-CB 3.68Å; L57-L130 HydrophobicContact CD1-CD1 3.74Å; L57-L130 HydrophobicContact CD1-CG 4.39Å; L57-R131 HydrophobicContact CB-CG 4.16Å; L57-R131 HydrophobicContact CD1-CG 4.4Å | ||
| 58 | R | 91.1 | Very high | 95.1 | Very high | 144 Ų | 144 | 92.3 Ų | 92.3 | 54% | 0.543 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -62.4 | -47.9 | -175.5 | -83 | -175.5 | 166.7 | 173.4 | -1.5 | 113.5 | E56 L61 A62 | E56-R58 VanDerWaalsContact C-N 3.32Å; E56-R58 PolarHBondContact O-N 2.93Å; R58-L61 PolarHBondContact O-N 3.4Å; R58-A62 WeakPolarHBondContact O-CB 3.47Å; R58-A62 PolarHBondContact O-N 3.23Å |
| 59 | K | 94.2 | Very high | 95.2 | Very high | 183 Ų | 183 | 88.8 Ų | 88.8 | 80% | 0.796 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -66.1 | -48 | -179.3 | -57 | 179.7 | -179.8 | -179.9 | 0 | 111.9 | L61 A62 L63 | K59-L61 VanDerWaalsContact C-N 3.32Å; K59-L61 PolarHBondContact O-N 3.05Å; K59-A62 PolarHBondContact O-N 2.93Å; K59-L63 PolarHBondContact O-N 3.03Å |
| 60 | P | 96.3 | Very high | 95.3 | Very high | 64 Ų | 64 | 91.5 Ų | 91.5 | 42% | 0.416 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -60.8 | -39.5 | 174.9 | -25.1 | 36 | 0 | 0 | 0 | 112.9 | L57 L63 W64 F127 | L57-P60 WeakPolarHBondContact O-CD 3.49Å; P60-L63 PolarHBondContact O-N 3.19Å; P60-W64 WeakPolarHBondContact O-CB 3.29Å; P60-W64 PolarHBondContact O-N 3.29Å; P60-F127 HydrophobicContact CB-CE1 4Å; P60-F127 HydrophobicContact CB-CZ 4.3Å |
| 61 | L | 95.5 | Very high | 95.6 | Very high | 24 Ų | 24 | 86.6 Ų | 86.6 | 13% | 0.126 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -63.3 | -41.6 | 175.4 | 176.6 | 62.1 | 0 | 0 | 0 | 112 | L57 R58 K59 W64 S65 F127 A183 | L57-L61 WeakPolarHBondContact O-CB 3.2Å; L57-L61 PolarHBondContact O-N 3.44Å; R58-L61 PolarHBondContact O-N 3.4Å; K59-L61 VanDerWaalsContact C-N 3.32Å; K59-L61 PolarHBondContact O-N 3.05Å; L61-W64 PolarHBondContact O-N 3.4Å; L61-S65 WeakPolarHBondContact O-CB 3.21Å; L61-S65 PolarHBondContact O-N 3.04Å; L61-S65 PolarHBondContact O-OG 3.41Å; L61-S65 VanDerWaalsContact O-OG 3.12Å; L61-F127 HydrophobicContact CB-CD1 4Å; L61-F127 HydrophobicContact CB-CE1 4.15Å; L61-F127 HydrophobicContact CB-CG 4.42Å; L61-F127 HydrophobicContact CD1-CB 4.01Å; L61-F127 HydrophobicContact CD1-CD1 4.26Å; L61-F127 HydrophobicContact CD1-CD2 3.93Å; L61-F127 HydrophobicContact CD1-CE2 4.5Å; L61-F127 HydrophobicContact CD1-CG 3.8Å; L61-A183 HydrophobicContact CD2-CB 4.32Å; L61-A183 HydrophobicContact CG-CB 4.11Å |
| 62 | A | 96.2 | Very high | 95.8 | Very high | 10 Ų | 10 | 76.7 Ų | 76.7 | 8% | 0.083 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -62.1 | -46.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | R58 K59 L66 A183 V184 | R58-A62 WeakPolarHBondContact O-CB 3.47Å; R58-A62 PolarHBondContact O-N 3.23Å; K59-A62 PolarHBondContact O-N 2.93Å; A62-L66 VanDerWaalsContact O-CB 3.24Å; A62-L66 WeakPolarHBondContact O-CB 3.33Å; A62-L66 PolarHBondContact O-N 2.94Å; A62-A183 HydrophobicContact CB-CB 3.68Å; A62-V184 HydrophobicContact CB-CG1 3.71Å |
| 63 | L | 97.3 | Very high | 96 | Very high | 116 Ų | 116 | 73.1 Ų | 73.1 | 61% | 0.607 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -61.8 | -46.4 | 176.2 | 179.7 | 60.9 | 0 | 0 | 0 | 111.2 | K59 P60 L66 T67 | K59-L63 PolarHBondContact O-N 3.03Å; P60-L63 PolarHBondContact O-N 3.19Å; L63-L66 PolarHBondContact O-N 3.27Å; L63-T67 PolarHBondContact O-N 2.88Å; L63-T67 PolarHBondContact O-OG1 3.15Å; L63-T67 VanDerWaalsContact O-OG1 3.08Å |
| 64 | W | 97.8 | Very high | 96.2 | Very high | 75 Ų | 75 | 70 Ų | 70 | 28% | 0.284 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -57.6 | -52.4 | 177.5 | 177.4 | -96.3 | 0 | 0 | 0 | 112.5 | P60 L61 L66 T67 L68 P120 D124 F127 | P60-W64 WeakPolarHBondContact O-CB 3.29Å; P60-W64 PolarHBondContact O-N 3.29Å; L61-W64 PolarHBondContact O-N 3.4Å; W64-L66 VanDerWaalsContact C-N 3.3Å; W64-L66 PolarHBondContact O-N 2.66Å; W64-T67 PolarHBondContact O-N 2.66Å; W64-L68 HydrophobicContact CZ2-CD1 4.09Å; W64-L68 PolarHBondContact O-N 2.83Å; W64-L68 VanDerWaalsContact O-N 3.07Å; W64-P120 HydrophobicContact CH2-CB 4.11Å; W64-P120 WeakPolarHBondContact CH2-O 3.28Å; W64-P120 WeakPolarHBondContact CZ2-O 3.23Å; W64-D124 PolarHBondContact NE1-OD1 3.19Å; W64-F127 HydrophobicContact CB-CE2 3.81Å; W64-F127 HydrophobicContact CB-CZ 4.03Å; W64-F127 AromaticContact CD1-CE2 3.7Å; W64-F127 AromaticContact CD2-CE2 3.9Å; W64-F127 HydrophobicContact CD2-CE2 3.9Å; W64-F127 HydrophobicContact CG-CD2 4.33Å; W64-F127 AromaticContact CG-CE2 3.51Å; W64-F127 HydrophobicContact CG-CE2 3.51Å; W64-F127 HydrophobicContact CG-CZ 4.2Å |
| 65 | S | 97.5 | Very high | 96.3 | Very high | 3 Ų | 3 | 64 Ų | 64 | 2% | 0.021 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -63 | -36.1 | 177 | -64 | 0 | 0 | 0 | 0 | 112 | L61 A69 | L61-S65 WeakPolarHBondContact O-CB 3.21Å; L61-S65 PolarHBondContact O-N 3.04Å; L61-S65 PolarHBondContact O-OG 3.41Å; L61-S65 VanDerWaalsContact O-OG 3.12Å; S65-A69 VanDerWaalsContact O-CB 3.28Å; S65-A69 WeakPolarHBondContact O-CB 3.36Å; S65-A69 PolarHBondContact O-N 3.04Å |
| 66 | L | 97.8 | Very high | 96.5 | Very high | 92 Ų | 92 | 60.7 Ų | 60.7 | 48% | 0.482 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -65.9 | -43.9 | 176.4 | -179.2 | 62.5 | 0 | 0 | 0 | 111.5 | A62 L63 W64 L68 A69 V70 A180 | A62-L66 VanDerWaalsContact O-CB 3.24Å; A62-L66 WeakPolarHBondContact O-CB 3.33Å; A62-L66 PolarHBondContact O-N 2.94Å; L63-L66 PolarHBondContact O-N 3.27Å; W64-L66 VanDerWaalsContact C-N 3.3Å; W64-L66 PolarHBondContact O-N 2.66Å; L66-L68 PolarHBondContact O-N 3.19Å; L66-A69 WeakPolarHBondContact O-CB 3.32Å; L66-A69 PolarHBondContact O-N 3.48Å; L66-V70 HydrophobicContact CD1-CG2 4.25Å; L66-V70 HydrophobicContact CG-CG2 4.49Å; L66-V70 WeakPolarHBondContact O-CG2 3.33Å; L66-V70 PolarHBondContact O-N 3.46Å; L66-A180 HydrophobicContact CB-CB 4.25Å |
| 67 | T | 98.1 | Very high | 96.7 | Very high | 84 Ų | 84 | 59 Ų | 59 | 52% | 0.515 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -59.6 | -46.8 | 176.4 | -60.9 | 0 | 0 | 0 | 0 | 111.3 | L63 W64 A69 V70 F71 | L63-T67 PolarHBondContact O-N 2.88Å; L63-T67 PolarHBondContact O-OG1 3.15Å; L63-T67 VanDerWaalsContact O-OG1 3.08Å; W64-T67 PolarHBondContact O-N 2.66Å; T67-A69 VanDerWaalsContact C-N 3.32Å; T67-A69 PolarHBondContact O-N 2.95Å; T67-V70 PolarHBondContact O-N 3.06Å; T67-F71 WeakPolarHBondContact O-CB 3.21Å; T67-F71 PolarHBondContact O-N 2.57Å |
| 68 | L | 98.1 | Very high | 96.7 | Very high | 13 Ų | 13 | 57.4 Ų | 57.4 | 7% | 0.068 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -66.4 | -33.8 | 176.8 | -67.7 | 178.3 | 0 | 0 | 0 | 112.4 | W64 L66 S72 E121 Y176 | W64-L68 HydrophobicContact CZ2-CD1 4.09Å; W64-L68 PolarHBondContact O-N 2.83Å; W64-L68 VanDerWaalsContact O-N 3.07Å; L66-L68 PolarHBondContact O-N 3.19Å; L68-S72 VanDerWaalsContact O-CB 3.23Å; L68-S72 WeakPolarHBondContact O-CB 3.23Å; L68-S72 PolarHBondContact O-N 2.84Å; L68-S72 PolarHBondContact O-OG 2.97Å; L68-E121 HydrophobicContact CD2-CG 4.44Å; L68-Y176 HydrophobicContact CB-CD1 3.9Å; L68-Y176 HydrophobicContact CB-CD2 3.71Å; L68-Y176 HydrophobicContact CB-CE1 4.11Å; L68-Y176 HydrophobicContact CB-CE2 3.92Å; L68-Y176 HydrophobicContact CB-CG 3.72Å; L68-Y176 HydrophobicContact CD1-CD1 4.06Å; L68-Y176 HydrophobicContact CD1-CE1 3.47Å; L68-Y176 VanDerWaalsContact CD1-CE1 3.47Å; L68-Y176 HydrophobicContact CD1-CE2 4.05Å; L68-Y176 VanDerWaalsContact CD1-CZ 3.48Å; L68-Y176 HydrophobicContact CG-CE1 4.45Å |
| 69 | A | 98.1 | Very high | 96.9 | Very high | 2 Ų | 2 | 50.6 Ų | 50.6 | 2% | 0.017 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -64.3 | -50.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | S65 L66 T67 S72 I73 | S65-A69 VanDerWaalsContact O-CB 3.28Å; S65-A69 WeakPolarHBondContact O-CB 3.36Å; S65-A69 PolarHBondContact O-N 3.04Å; L66-A69 WeakPolarHBondContact O-CB 3.32Å; L66-A69 PolarHBondContact O-N 3.48Å; T67-A69 VanDerWaalsContact C-N 3.32Å; T67-A69 PolarHBondContact O-N 2.95Å; A69-S72 PolarHBondContact O-N 3.41Å; A69-I73 WeakPolarHBondContact O-CB 3.34Å; A69-I73 WeakPolarHBondContact O-CD1 3.4Å; A69-I73 WeakPolarHBondContact O-CG1 3.47Å; A69-I73 PolarHBondContact O-N 3.1Å |
| 70 | V | 98.3 | Very high | 96.9 | Very high | 65 Ų | 65 | 42.7 Ų | 42.7 | 39% | 0.394 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -59.1 | -51.2 | 178.7 | 171.3 | 0 | 0 | 0 | 0 | 110.3 | L66 T67 S72 I73 F74 | L66-V70 HydrophobicContact CD1-CG2 4.25Å; L66-V70 HydrophobicContact CG-CG2 4.49Å; L66-V70 WeakPolarHBondContact O-CG2 3.33Å; L66-V70 PolarHBondContact O-N 3.46Å; T67-V70 PolarHBondContact O-N 3.06Å; V70-S72 VanDerWaalsContact C-N 3.27Å; V70-S72 PolarHBondContact O-N 2.89Å; V70-I73 PolarHBondContact O-N 3.46Å; V70-F74 HydrophobicContact CG1-CD2 3.71Å; V70-F74 HydrophobicContact CG1-CE2 3.68Å; V70-F74 VanDerWaalsContact O-CD2 3.29Å; V70-F74 WeakPolarHBondContact O-CD2 3.46Å; V70-F74 PolarHBondContact O-N 3.31Å |
| 71 | F | 98.2 | Very high | 96.7 | Very high | 48 Ų | 48 | 41.1 Ų | 41.1 | 21% | 0.211 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -52 | -47.2 | 175 | 171.4 | -108 | 0 | 0 | 0 | 111.9 | T67 G75 W110 A113 S117 Y169 | T67-F71 WeakPolarHBondContact O-CB 3.21Å; T67-F71 PolarHBondContact O-N 2.57Å; F71-G75 PolarHBondContact O-N 3.46Å; F71-W110 HydrophobicContact CD2-CZ3 4.23Å; F71-W110 HydrophobicContact CE2-CZ3 4.17Å; F71-A113 HydrophobicContact CE2-CB 3.92Å; F71-A113 HydrophobicContact CZ-CB 4.04Å; F71-S117 VanDerWaalsContact CE1-CB 3.41Å; F71-Y169 HydrophobicContact CD1-CE1 4.12Å; F71-Y169 AromaticContact CE1-CE1 3.55Å; F71-Y169 HydrophobicContact CE1-CE1 3.55Å; F71-Y169 AromaticContact CZ-CE1 3.82Å; F71-Y169 HydrophobicContact CZ-CE1 3.82Å; F71-Y169 VanDerWaalsContact CZ-OH 3.25Å; F71-Y169 WeakPolarHBondContact CZ-OH 3.45Å |
| 72 | S | 98.2 | Very high | 96.6 | Very high | 2 Ų | 2 | 40.9 Ų | 40.9 | 1% | 0.014 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -71.6 | -33.5 | -177.7 | -54.9 | 0 | 0 | 0 | 0 | 113.2 | L68 A69 V70 A76 | L68-S72 VanDerWaalsContact O-CB 3.23Å; L68-S72 WeakPolarHBondContact O-CB 3.23Å; L68-S72 PolarHBondContact O-N 2.84Å; L68-S72 PolarHBondContact O-OG 2.97Å; A69-S72 PolarHBondContact O-N 3.41Å; V70-S72 VanDerWaalsContact C-N 3.27Å; V70-S72 PolarHBondContact O-N 2.89Å; S72-A76 WeakPolarHBondContact O-CB 3.3Å; S72-A76 PolarHBondContact O-N 3.19Å |
| 73 | I | 98.2 | Very high | 96.4 | Very high | 74 Ų | 74 | 40.9 Ų | 40.9 | 38% | 0.379 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -64.7 | -49.7 | 175.6 | -71.7 | 162.7 | 0 | 0 | 0 | 109.8 | A69 V70 A76 V77 A173 | A69-I73 WeakPolarHBondContact O-CB 3.34Å; A69-I73 WeakPolarHBondContact O-CD1 3.4Å; A69-I73 WeakPolarHBondContact O-CG1 3.47Å; A69-I73 PolarHBondContact O-N 3.1Å; V70-I73 PolarHBondContact O-N 3.46Å; I73-A76 PolarHBondContact O-N 3.11Å; I73-V77 WeakPolarHBondContact O-CG2 3.39Å; I73-V77 PolarHBondContact O-N 3.27Å; I73-A173 HydrophobicContact CB-CB 4.47Å; I73-A173 HydrophobicContact CG1-CB 3.7Å |
| 74 | F | 96.5 | Very high | 96.2 | Very high | 105 Ų | 105 | 38 Ų | 38 | 46% | 0.461 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -62 | -45.9 | 177.4 | -80.7 | -79.6 | 0 | 0 | 0 | 111.1 | V70 A76 V77 R78 W110 | V70-F74 HydrophobicContact CG1-CD2 3.71Å; V70-F74 HydrophobicContact CG1-CE2 3.68Å; V70-F74 VanDerWaalsContact O-CD2 3.29Å; V70-F74 WeakPolarHBondContact O-CD2 3.46Å; V70-F74 PolarHBondContact O-N 3.31Å; F74-A76 PolarHBondContact O-N 3.45Å; F74-V77 PolarHBondContact O-N 2.95Å; F74-R78 WeakPolarHBondContact O-CB 2.99Å; F74-R78 VanDerWaalsContact O-CG 3.23Å; F74-R78 WeakPolarHBondContact O-CG 3.26Å; F74-R78 PolarHBondContact O-N 3.08Å; F74-W110 HydrophobicContact CB-CH2 3.38Å; F74-W110 HydrophobicContact CB-CZ2 4.01Å; F74-W110 HydrophobicContact CB-CZ3 4.01Å; F74-W110 HydrophobicContact CG-CH2 4.43Å |
| 75 | G | 96.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -55.1 | -49.5 | 174 | 0 | 0 | 0 | 0 | 0 | 112.4 | F71 V77 R78 T79 | F71-G75 PolarHBondContact O-N 3.46Å; G75-V77 PolarHBondContact O-N 3.22Å; G75-R78 PolarHBondContact O-N 3.19Å; G75-T79 WeakPolarHBondContact O-CB 3.46Å; G75-T79 WeakPolarHBondContact O-CG2 3.39Å; G75-T79 PolarHBondContact O-N 3.43Å; G75-T79 PolarHBondContact O-OG1 2.64Å; G75-T79 VanDerWaalsContact O-OG1 3.04Å |
| 76 | A | 97.1 | Very high | 95.6 | Very high | 15 Ų | 15 | 39.3 Ų | 39.3 | 12% | 0.124 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -61.8 | -41.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | S72 I73 F74 G80 L170 | S72-A76 WeakPolarHBondContact O-CB 3.3Å; S72-A76 PolarHBondContact O-N 3.19Å; I73-A76 PolarHBondContact O-N 3.11Å; F74-A76 PolarHBondContact O-N 3.45Å; A76-G80 WeakPolarHBondContact O-CA 3.16Å; A76-G80 PolarHBondContact O-N 3.31Å; A76-L170 HydrophobicContact CB-CB 4.37Å |
| 77 | V | 95.8 | Very high | 95.4 | Very high | 83 Ų | 83 | 37.8 Ų | 37.8 | 50% | 0.503 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -66.2 | -46.5 | 178.5 | 170.4 | 0 | 0 | 0 | 0 | 110.5 | I73 F74 G75 S81 | I73-V77 WeakPolarHBondContact O-CG2 3.39Å; I73-V77 PolarHBondContact O-N 3.27Å; F74-V77 PolarHBondContact O-N 2.95Å; G75-V77 PolarHBondContact O-N 3.22Å; V77-S81 VanDerWaalsContact O-CB 3.28Å; V77-S81 WeakPolarHBondContact O-CB 3.45Å; V77-S81 PolarHBondContact O-N 2.81Å; V77-S81 PolarHBondContact O-OG 2.97Å |
| 78 | R | 93.9 | Very high | 95.1 | Very high | 4 Ų | 4 | 39.9 Ų | 39.9 | 2% | 0.015 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -70.2 | -53.1 | -176.1 | -62.8 | -61.6 | -70.3 | 169.9 | -1.1 | 111.4 | A5 Q7 E12 F74 G75 S81 Y82 V106 W110 | A5-R78 PolarHBondContact O-NH1 3.38Å; Q7-R78 PolarHBondContact O-NH1 3.46Å; Q7-R78 PolarHBondContact O-NH2 3.43Å; E12-R78 IonicContact OE1-CZ 2.76Å; E12-R78 IonicContact OE1-NE 3.71Å; E12-R78 PolarHBondContact OE1-NE 3.05Å; E12-R78 IonicContact OE1-NH2 2.91Å; E12-R78 PolarHBondContact OE1-NH2 3.31Å; E12-R78 IonicContact OE2-CZ 3.73Å; E12-R78 IonicContact OE2-NE 3.3Å; E12-R78 IonicContact OE2-NH2 3.91Å; E12-R78 PolarHBondContact OE2-NH2 3.26Å; F74-R78 WeakPolarHBondContact O-CB 2.99Å; F74-R78 VanDerWaalsContact O-CG 3.23Å; F74-R78 WeakPolarHBondContact O-CG 3.26Å; F74-R78 PolarHBondContact O-N 3.08Å; G75-R78 PolarHBondContact O-N 3.19Å; R78-S81 PolarHBondContact O-N 3.16Å; R78-Y82 PolarHBondContact O-N 3.06Å; R78-V106 HydrophobicContact CB-CG1 3.89Å; R78-W110 HydrophobicContact CB-CD2 4.37Å; R78-W110 HydrophobicContact CB-CG 4.23Å; R78-W110 HydrophobicContact CG-CZ2 3.94Å |
| 79 | T | 95.2 | Very high | 94.8 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -70.7 | -35 | 179.9 | 73.6 | 0 | 0 | 0 | 0 | 111.8 | G75 Y82 M83 F101 W110 T166 Y169 | G75-T79 WeakPolarHBondContact O-CB 3.46Å; G75-T79 WeakPolarHBondContact O-CG2 3.39Å; G75-T79 PolarHBondContact O-N 3.43Å; G75-T79 PolarHBondContact O-OG1 2.64Å; G75-T79 VanDerWaalsContact O-OG1 3.04Å; T79-Y82 PolarHBondContact O-N 3.26Å; T79-M83 WeakPolarHBondContact O-CB 2.97Å; T79-M83 VanDerWaalsContact O-CG 3.24Å; T79-M83 WeakPolarHBondContact O-CG 3.34Å; T79-M83 PolarHBondContact O-N 3.07Å; T79-F101 HydrophobicContact CG2-CE2 4.27Å; T79-F101 HydrophobicContact CG2-CZ 3.7Å; T79-W110 HydrophobicContact CG2-CB 3.55Å; T79-W110 HydrophobicContact CG2-CG 4.22Å; T79-T166 VanDerWaalsContact CB-OG1 3.28Å; T79-T166 WeakPolarHBondContact CB-OG1 3.28Å; T79-T166 WeakPolarHBondContact OG1-CA 3.29Å; T79-T166 WeakPolarHBondContact OG1-CB 3.41Å; T79-T166 PolarHBondContact OG1-OG1 3.02Å; T79-Y169 HydrophobicContact CG2-CD2 4.21Å; T79-Y169 HydrophobicContact CG2-CE2 4.2Å |
| 80 | G | 94.6 | Very high | 94.4 | Very high | 18 Ų | 18 | 48.2 Ų | 48.2 | 19% | 0.186 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64.6 | -39.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113 | A76 T84 | A76-G80 WeakPolarHBondContact O-CA 3.16Å; A76-G80 PolarHBondContact O-N 3.31Å; G80-T84 VanDerWaalsContact O-CB 3.27Å; G80-T84 WeakPolarHBondContact O-CB 3.46Å; G80-T84 PolarHBondContact O-N 2.89Å; G80-T84 PolarHBondContact O-OG1 3.17Å |
| 81 | S | 92.8 | Very high | 94.2 | Very high | 31 Ų | 31 | 46.5 Ų | 46.5 | 22% | 0.217 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -65.4 | -43.4 | 175.1 | -59 | 0 | 0 | 0 | 0 | 111.3 | A5 V77 R78 T84 Y85 | A5-S81 WeakPolarHBondContact CB-OG 3.5Å; V77-S81 VanDerWaalsContact O-CB 3.28Å; V77-S81 WeakPolarHBondContact O-CB 3.45Å; V77-S81 PolarHBondContact O-N 2.81Å; V77-S81 PolarHBondContact O-OG 2.97Å; R78-S81 PolarHBondContact O-N 3.16Å; S81-T84 PolarHBondContact O-N 3.31Å; S81-Y85 WeakPolarHBondContact O-CB 3.23Å; S81-Y85 PolarHBondContact O-N 2.87Å |
| 82 | Y | 92.1 | Very high | 93.9 | Very high | 19 Ų | 19 | 48.2 Ų | 48.2 | 8% | 0.075 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -63.1 | -47.9 | 176.4 | -174.1 | -101.1 | 0 | 0 | 0 | 112.6 | L6 R78 T79 T84 Y85 I86 S100 F101 S107 | L6-Y82 HydrophobicContact CD2-CD2 4.48Å; R78-Y82 PolarHBondContact O-N 3.06Å; T79-Y82 PolarHBondContact O-N 3.26Å; Y82-T84 VanDerWaalsContact C-N 3.33Å; Y82-T84 PolarHBondContact O-N 2.91Å; Y82-Y85 WeakPolarHBondContact O-CB 3.46Å; Y82-Y85 PolarHBondContact O-N 3.24Å; Y82-I86 HydrophobicContact CD1-CD1 3.83Å; Y82-I86 HydrophobicContact CE1-CD1 3.2Å; Y82-I86 HydrophobicContact CE1-CG1 4.23Å; Y82-I86 HydrophobicContact CE2-CD1 4.36Å; Y82-I86 PolarHBondContact O-N 3.39Å; Y82-S100 PolarHBondContact OH-O 3.22Å; Y82-S100 PolarHBondContact OH-OG 3.39Å; Y82-F101 AromaticContact CD1-CD2 3.77Å; Y82-F101 HydrophobicContact CD1-CD2 3.77Å; Y82-F101 HydrophobicContact CD1-CE2 4.25Å; Y82-F101 HydrophobicContact CE1-CB 4.42Å; Y82-F101 HydrophobicContact CE1-CD2 4.02Å; Y82-S107 WeakPolarHBondContact CE1-OG 3.49Å |
| 83 | M | 93.3 | Very high | 93.7 | Very high | 9 Ų | 9 | 51.8 Ų | 51.8 | 4% | 0.044 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -62.9 | -40.5 | 177.8 | -72.3 | -58.2 | -62 | 0 | 0 | 112 | T79 Y85 I86 L87 S95 F101 W163 T166 | T79-M83 WeakPolarHBondContact O-CB 2.97Å; T79-M83 VanDerWaalsContact O-CG 3.24Å; T79-M83 WeakPolarHBondContact O-CG 3.34Å; T79-M83 PolarHBondContact O-N 3.07Å; M83-Y85 VanDerWaalsContact C-N 3.34Å; M83-I86 PolarHBondContact O-N 3.11Å; M83-L87 VanDerWaalsContact O-CB 3.25Å; M83-L87 WeakPolarHBondContact O-CB 3.45Å; M83-L87 PolarHBondContact O-N 2.8Å; M83-S95 WeakPolarHBondContact CE-O 3.46Å; M83-F101 HydrophobicContact CG-CD2 4.23Å; M83-F101 HydrophobicContact CG-CE2 3.88Å; M83-F101 HydrophobicContact SD-CD2 3.5Å; M83-F101 WeakPolarHBondContact SD-CD2 3.31Å; M83-F101 HydrophobicContact SD-CE2 3.76Å; M83-W163 HydrophobicContact CE-CD2 3.91Å; M83-W163 HydrophobicContact CE-CG 3.73Å; M83-W163 HydrophobicContact CE-CZ2 4.47Å; M83-T166 HydrophobicContact CG-CG2 4.25Å; M83-T166 WeakPolarHBondContact CG-OG1 3.28Å |
| 84 | T | 92.8 | Very high | 93.3 | Very high | 55 Ų | 55 | 51.7 Ų | 51.7 | 34% | 0.337 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -63.1 | -42.9 | 176.2 | -57.7 | 0 | 0 | 0 | 0 | 111.1 | M1 G80 S81 Y82 L87 M88 | M1-T84 HydrophobicContact SD-CG2 3.91Å; G80-T84 VanDerWaalsContact O-CB 3.27Å; G80-T84 WeakPolarHBondContact O-CB 3.46Å; G80-T84 PolarHBondContact O-N 2.89Å; G80-T84 PolarHBondContact O-OG1 3.17Å; S81-T84 PolarHBondContact O-N 3.31Å; Y82-T84 VanDerWaalsContact C-N 3.33Å; Y82-T84 PolarHBondContact O-N 2.91Å; T84-L87 PolarHBondContact O-N 2.89Å; T84-M88 HydrophobicContact CG2-CE 3.69Å; T84-M88 HydrophobicContact CG2-CG 4.33Å; T84-M88 HydrophobicContact CG2-SD 3.91Å; T84-M88 WeakPolarHBondContact O-CB 3.47Å; T84-M88 WeakPolarHBondContact O-CG 3.28Å; T84-M88 PolarHBondContact O-N 2.76Å |
| 85 | Y | 91.2 | Very high | 93.2 | Very high | 101 Ų | 101 | 47 Ų | 47 | 40% | 0.396 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -59.2 | -49.8 | 175.9 | 171.6 | -99.5 | 0 | 0 | 0 | 111.8 | L6 S81 Y82 M83 L87 M88 T89 | L6-Y85 HydrophobicContact CD1-CD1 4.46Å; L6-Y85 HydrophobicContact CD1-CD2 3.61Å; L6-Y85 HydrophobicContact CD1-CE2 4.26Å; L6-Y85 HydrophobicContact CD1-CG 3.73Å; S81-Y85 WeakPolarHBondContact O-CB 3.23Å; S81-Y85 PolarHBondContact O-N 2.87Å; Y82-Y85 WeakPolarHBondContact O-CB 3.46Å; Y82-Y85 PolarHBondContact O-N 3.24Å; M83-Y85 VanDerWaalsContact C-N 3.34Å; Y85-L87 VanDerWaalsContact C-N 3.35Å; Y85-L87 PolarHBondContact O-N 2.95Å; Y85-M88 PolarHBondContact O-N 3.06Å; Y85-T89 HydrophobicContact CD2-CG2 3.98Å; Y85-T89 HydrophobicContact CE2-CG2 3.69Å; Y85-T89 WeakPolarHBondContact O-CB 3.44Å; Y85-T89 WeakPolarHBondContact O-CG2 3.38Å; Y85-T89 PolarHBondContact O-N 2.97Å; Y85-T89 PolarHBondContact O-OG1 3.42Å |
| 86 | I | 91.3 | Very high | 93.1 | Very high | 5 Ų | 5 | 47.1 Ų | 47.1 | 3% | 0.026 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.6 | -44.2 | 177.8 | -65.2 | 178 | 0 | 0 | 0 | 110.8 | Y82 M83 M88 T89 K90 G91 | Y82-I86 HydrophobicContact CD1-CD1 3.83Å; Y82-I86 HydrophobicContact CE1-CD1 3.2Å; Y82-I86 HydrophobicContact CE1-CG1 4.23Å; Y82-I86 HydrophobicContact CE2-CD1 4.36Å; Y82-I86 PolarHBondContact O-N 3.39Å; M83-I86 PolarHBondContact O-N 3.11Å; I86-M88 VanDerWaalsContact C-N 3.32Å; I86-M88 PolarHBondContact O-N 2.82Å; I86-T89 PolarHBondContact O-N 3.31Å; I86-K90 HydrophobicContact CG2-CB 4.25Å; I86-K90 HydrophobicContact CG2-CD 4.35Å; I86-K90 HydrophobicContact CG2-CG 4.47Å; I86-K90 WeakPolarHBondContact O-CA 3.21Å; I86-K90 PolarHBondContact O-N 2.97Å; I86-G91 PolarHBondContact O-N 3.45Å |
| 87 | L | 93.1 | Very high | 92.8 | Very high | 61 Ų | 61 | 46.5 Ų | 46.5 | 32% | 0.319 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -60.2 | -42.4 | 179.9 | -178.9 | 61.9 | 0 | 0 | 0 | 111.9 | M83 T84 Y85 G91 L92 W163 | M83-L87 VanDerWaalsContact O-CB 3.25Å; M83-L87 WeakPolarHBondContact O-CB 3.45Å; M83-L87 PolarHBondContact O-N 2.8Å; T84-L87 PolarHBondContact O-N 2.89Å; Y85-L87 VanDerWaalsContact C-N 3.35Å; Y85-L87 PolarHBondContact O-N 2.95Å; L87-G91 VanDerWaalsContact O-CA 3.22Å; L87-G91 WeakPolarHBondContact O-CA 3.45Å; L87-G91 PolarHBondContact O-N 3.2Å; L87-L92 HydrophobicContact CD1-CB 4.04Å; L87-L92 HydrophobicContact CD1-CD1 3.94Å; L87-W163 HydrophobicContact CD1-CZ2 4.38Å; L87-W163 HydrophobicContact CD2-CH2 4.05Å; L87-W163 HydrophobicContact CD2-CZ2 4.13Å |
| 88 | M | 92.6 | Very high | 92.2 | Very high | 127 Ų | 127 | 44.1 Ų | 44.1 | 63% | 0.626 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -77.6 | -28.4 | -178.6 | -70.2 | -175 | 175.7 | 0 | 0 | 113.8 | M1 T84 Y85 I86 | M1-M88 HydrophobicContact CE-CB 4.09Å; M1-M88 HydrophobicContact CE-CG 4.26Å; M1-M88 HydrophobicContact CE-SD 3.22Å; M1-M88 WeakPolarHBondContact CE-SD 3.21Å; M1-M88 HydrophobicContact SD-SD 3.75Å; T84-M88 HydrophobicContact CG2-CE 3.69Å; T84-M88 HydrophobicContact CG2-CG 4.33Å; T84-M88 HydrophobicContact CG2-SD 3.91Å; T84-M88 WeakPolarHBondContact O-CB 3.47Å; T84-M88 WeakPolarHBondContact O-CG 3.28Å; T84-M88 PolarHBondContact O-N 2.76Å; Y85-M88 PolarHBondContact O-N 3.06Å; I86-M88 VanDerWaalsContact C-N 3.32Å; I86-M88 PolarHBondContact O-N 2.82Å |
| 89 | T | 90.8 | Very high | 92 | Very high | 78 Ų | 78 | 46.7 Ų | 46.7 | 48% | 0.479 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -96.8 | -38.6 | -176.5 | 55 | 0 | 0 | 0 | 0 | 113.6 | Y85 I86 | Y85-T89 HydrophobicContact CD2-CG2 3.98Å; Y85-T89 HydrophobicContact CE2-CG2 3.69Å; Y85-T89 WeakPolarHBondContact O-CB 3.44Å; Y85-T89 WeakPolarHBondContact O-CG2 3.38Å; Y85-T89 PolarHBondContact O-N 2.97Å; Y85-T89 PolarHBondContact O-OG1 3.42Å; I86-T89 PolarHBondContact O-N 3.31Å |
| 90 | K | 89.9 | Confident | 91.6 | Very high | 112 Ų | 112 | 47.6 Ų | 47.6 | 49% | 0.487 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -113.3 | -7.5 | -175 | -50.2 | -168.9 | -171.9 | 176.9 | 0 | 113.7 | I86 Q94 D98 | I86-K90 HydrophobicContact CG2-CB 4.25Å; I86-K90 HydrophobicContact CG2-CD 4.35Å; I86-K90 HydrophobicContact CG2-CG 4.47Å; I86-K90 WeakPolarHBondContact O-CA 3.21Å; I86-K90 PolarHBondContact O-N 2.97Å; K90-Q94 HydrophobicContact CB-CB 3.63Å; K90-Q94 HydrophobicContact CB-CG 3.66Å; K90-Q94 HydrophobicContact CD-CG 3.6Å; K90-Q94 HydrophobicContact CG-CG 4.29Å; K90-D98 IonicContact NZ-OD2 3.56Å; K90-D98 PolarHBondContact NZ-OD2 2.95Å |
| 91 | G | 93.2 | Very high | 91.5 | Very high | 29 Ų | 29 | 47 Ų | 47 | 30% | 0.299 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | 84 | 176.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | I86 L87 S95 | I86-G91 PolarHBondContact O-N 3.45Å; L87-G91 VanDerWaalsContact O-CA 3.22Å; L87-G91 WeakPolarHBondContact O-CA 3.45Å; L87-G91 PolarHBondContact O-N 3.2Å; G91-S95 PolarHBondContact O-N 2.84Å |
| 92 | L | 93.6 | Very high | 91.4 | Very high | 84 Ų | 84 | 45.7 Ų | 45.7 | 44% | 0.44 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -63.4 | -48.2 | -171.7 | -179.5 | 64.6 | 0 | 0 | 0 | 112.8 | L87 Q94 S95 V96 W163 L213 W217 | L87-L92 HydrophobicContact CD1-CB 4.04Å; L87-L92 HydrophobicContact CD1-CD1 3.94Å; L92-Q94 VanDerWaalsContact C-N 3.35Å; L92-Q94 PolarHBondContact O-N 3.32Å; L92-S95 PolarHBondContact O-N 3.34Å; L92-S95 VanDerWaalsContact O-N 3.14Å; L92-S95 PolarHBondContact O-OG 3.31Å; L92-V96 HydrophobicContact CD1-CG2 4.22Å; L92-V96 WeakPolarHBondContact O-CG2 3.37Å; L92-V96 PolarHBondContact O-N 3.21Å; L92-V96 VanDerWaalsContact O-N 3.08Å; L92-W163 HydrophobicContact CD1-CZ2 4.16Å; L92-L213 HydrophobicContact CD2-CD1 4.42Å; L92-W217 HydrophobicContact CG-CH2 4.33Å |
| 93 | K | 92.4 | Very high | 91.4 | Very high | 78 Ų | 78 | 48.8 Ų | 48.8 | 34% | 0.339 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -56 | -50.5 | -178.9 | 177.4 | -176.5 | 164.3 | -172.3 | 0 | 111.4 | S95 V96 C97 W217 | K93-S95 PolarHBondContact O-N 3.32Å; K93-V96 PolarHBondContact O-N 3.38Å; K93-C97 WeakPolarHBondContact O-CB 3.43Å; K93-C97 PolarHBondContact O-N 3.48Å; K93-W217 VanDerWaalsContact CA-CH2 3.48Å; K93-W217 HydrophobicContact CB-CH2 3.94Å; K93-W217 HydrophobicContact CB-CZ2 3.82Å; K93-W217 HydrophobicContact CB-CZ3 4.32Å; K93-W217 HydrophobicContact CG-CD2 3.94Å; K93-W217 HydrophobicContact CG-CE3 4.12Å; K93-W217 HydrophobicContact CG-CG 4.45Å; K93-W217 HydrophobicContact CG-CH2 4.35Å; K93-W217 HydrophobicContact CG-CZ2 4.17Å; K93-W217 HydrophobicContact CG-CZ3 4.32Å |
| 94 | Q | 90.6 | Very high | 91.1 | Very high | 72 Ų | 72 | 48.6 Ų | 48.6 | 34% | 0.336 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -63.5 | -43 | 178.5 | -166.5 | 65.8 | 18 | 0 | 0 | 110.7 | K90 L92 V96 C97 D98 | K90-Q94 HydrophobicContact CB-CB 3.63Å; K90-Q94 HydrophobicContact CB-CG 3.66Å; K90-Q94 HydrophobicContact CD-CG 3.6Å; K90-Q94 HydrophobicContact CG-CG 4.29Å; L92-Q94 VanDerWaalsContact C-N 3.35Å; L92-Q94 PolarHBondContact O-N 3.32Å; Q94-V96 PolarHBondContact O-N 2.99Å; Q94-V96 VanDerWaalsContact O-N 3.07Å; Q94-C97 PolarHBondContact O-N 3.29Å; Q94-D98 HydrophobicContact CG-CB 4.08Å; Q94-D98 VanDerWaalsContact NE2-CG 3.31Å; Q94-D98 PolarHBondContact NE2-OD2 3.31Å; Q94-D98 WeakPolarHBondContact O-CB 3.44Å; Q94-D98 PolarHBondContact O-N 2.99Å |
| 95 | S | 93.5 | Very high | 90.7 | Very high | 6 Ų | 6 | 48.8 Ų | 48.8 | 4% | 0.042 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -58.1 | -27.1 | 177.6 | 79.4 | 0 | 0 | 0 | 0 | 114.5 | M83 G91 L92 K93 W163 | M83-S95 WeakPolarHBondContact CE-O 3.46Å; G91-S95 PolarHBondContact O-N 2.84Å; L92-S95 PolarHBondContact O-N 3.34Å; L92-S95 VanDerWaalsContact O-N 3.14Å; L92-S95 PolarHBondContact O-OG 3.31Å; K93-S95 PolarHBondContact O-N 3.32Å; S95-W163 PolarHBondContact O-NE1 3.41Å; S95-W163 PolarHBondContact OG-NE1 3.34Å; S95-W163 VanDerWaalsContact OG-NE1 3.09Å |
| 96 | V | 94.8 | Very high | 90.6 | Very high | 2 Ų | 2 | 44 Ų | 44 | 1% | 0.012 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -90 | -44.5 | 179.1 | 172 | 0 | 0 | 0 | 0 | 111.3 | L92 K93 Q94 G160 V210 V214 W217 | L92-V96 HydrophobicContact CD1-CG2 4.22Å; L92-V96 WeakPolarHBondContact O-CG2 3.37Å; L92-V96 PolarHBondContact O-N 3.21Å; L92-V96 VanDerWaalsContact O-N 3.08Å; K93-V96 PolarHBondContact O-N 3.38Å; Q94-V96 PolarHBondContact O-N 2.99Å; Q94-V96 VanDerWaalsContact O-N 3.07Å; V96-G160 WeakPolarHBondContact O-CA 3.46Å; V96-G160 PolarHBondContact O-N 3.15Å; V96-V210 HydrophobicContact CG1-CG1 4.16Å; V96-V214 HydrophobicContact CG1-CG2 3.47Å; V96-V214 VanDerWaalsContact CG1-CG2 3.47Å; V96-W217 HydrophobicContact CB-CH2 4.49Å; V96-W217 HydrophobicContact CB-CZ3 3.67Å; V96-W217 HydrophobicContact CG1-CE3 4.31Å; V96-W217 HydrophobicContact CG1-CZ3 3.75Å; V96-W217 HydrophobicContact CG2-CH2 4.48Å; V96-W217 HydrophobicContact CG2-CZ3 4.06Å |
| 97 | C | 92.3 | Very high | 90.7 | Very high | 3 Ų | 3 | 43.8 Ų | 43.8 | 2% | 0.02 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -86.5 | -17.9 | -172.7 | -69.6 | 0 | 0 | 0 | 0 | 114.5 | K93 Q94 Q99 W217 C224 P225 | K93-C97 WeakPolarHBondContact O-CB 3.43Å; K93-C97 PolarHBondContact O-N 3.48Å; Q94-C97 PolarHBondContact O-N 3.29Å; C97-Q99 PolarHBondContact O-N 3.27Å; C97-W217 VanDerWaalsContact SG-CE3 3.54Å; C97-C224 VanDerWaalsContact CA-SG 3.57Å; C97-C224 HydrophobicContact CB-CB 3.79Å; C97-C224 WeakPolarHBondContact CB-SG 3.17Å; C97-C224 WeakPolarHBondContact SG-CB 3.28Å; C97-C224 CovalentContact SG-SG 2.05Å; C97-C224 PolarHBondContact SG-SG 3.42Å; C97-P225 WeakPolarHBondContact O-CD 3.24Å |
| 98 | D | 82.3 | Confident | 90.7 | Very high | 32 Ų | 32 | 41.7 Ų | 41.7 | 17% | 0.171 | 22% | 0.222 | C | C | . | . | trans | -73.9 | 122.3 | -174 | -165 | -3.3 | 0 | 0 | 0 | 112.1 | K90 Q94 S100 | K90-D98 IonicContact NZ-OD2 3.56Å; K90-D98 PolarHBondContact NZ-OD2 2.95Å; Q94-D98 HydrophobicContact CG-CB 4.08Å; Q94-D98 VanDerWaalsContact NE2-CG 3.31Å; Q94-D98 PolarHBondContact NE2-OD2 3.31Å; Q94-D98 WeakPolarHBondContact O-CB 3.44Å; Q94-D98 PolarHBondContact O-N 2.99Å; D98-S100 VanDerWaalsContact CG-CB 3.46Å; D98-S100 PolarHBondContact O-N 2.99Å; D98-S100 WeakPolarHBondContact OD1-CB 3.25Å; D98-S100 PolarHBondContact OD1-N 3.45Å; D98-S100 PolarHBondContact OD1-OG 3.4Å; D98-S100 WeakPolarHBondContact OD2-CB 3.43Å; D98-S100 PolarHBondContact OD2-OG 3.32Å | ||
| 99 | Q | 89.3 | Confident | 90.9 | Very high | 58 Ų | 58 | 38.4 Ų | 38.4 | 27% | 0.271 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | -4.8 | 172.1 | -60.6 | -176.2 | -66.1 | 0 | 0 | 112.1 | C97 F101 Y102 D156 M157 P225 | C97-Q99 PolarHBondContact O-N 3.27Å; Q99-F101 PolarHBondContact O-N 3.21Å; Q99-Y102 HydrophobicContact CB-CD2 4.5Å; Q99-Y102 WeakPolarHBondContact O-CD2 2.96Å; Q99-Y102 PolarHBondContact O-N 3.05Å; Q99-D156 PolarHBondContact NE2-O 3.47Å; Q99-M157 WeakPolarHBondContact CG-O 3.34Å; Q99-M157 PolarHBondContact NE2-O 3.17Å; Q99-P225 HydrophobicContact CG-CB 4.28Å; Q99-P225 HydrophobicContact CG-CG 3.43Å; Q99-P225 VanDerWaalsContact CG-CG 3.43Å; Q99-P225 VanDerWaalsContact OE1-CG 3.3Å |
| 100 | S | 87.9 | Confident | 91.2 | Very high | 20 Ų | 20 | 35.5 Ų | 35.5 | 14% | 0.14 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -56.5 | -14.9 | 177.1 | 73.8 | 0 | 0 | 0 | 0 | 113.7 | Y82 D98 Y102 N103 G104 | Y82-S100 PolarHBondContact OH-O 3.22Å; Y82-S100 PolarHBondContact OH-OG 3.39Å; D98-S100 VanDerWaalsContact CG-CB 3.46Å; D98-S100 PolarHBondContact O-N 2.99Å; D98-S100 WeakPolarHBondContact OD1-CB 3.25Å; D98-S100 PolarHBondContact OD1-N 3.45Å; D98-S100 PolarHBondContact OD1-OG 3.4Å; D98-S100 WeakPolarHBondContact OD2-CB 3.43Å; D98-S100 PolarHBondContact OD2-OG 3.32Å; S100-Y102 VanDerWaalsContact C-N 3.27Å; S100-Y102 PolarHBondContact O-N 3.18Å; S100-N103 WeakPolarHBondContact CA-OD1 3.3Å; S100-N103 PolarHBondContact O-OD1 2.82Å; S100-G104 WeakPolarHBondContact O-CA 3.32Å; S100-G104 PolarHBondContact O-N 3.36Å |
| 101 | F | 91.4 | Very high | 91.5 | Very high | 4 Ų | 4 | 30.1 Ų | 30.1 | 2% | 0.018 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -63.1 | -31.5 | 172.6 | -170 | -89.8 | 0 | 0 | 0 | 113.2 | T79 Y82 M83 Q99 S107 A111 G162 M165 | T79-F101 HydrophobicContact CG2-CE2 4.27Å; T79-F101 HydrophobicContact CG2-CZ 3.7Å; Y82-F101 AromaticContact CD1-CD2 3.77Å; Y82-F101 HydrophobicContact CD1-CD2 3.77Å; Y82-F101 HydrophobicContact CD1-CE2 4.25Å; Y82-F101 HydrophobicContact CE1-CB 4.42Å; Y82-F101 HydrophobicContact CE1-CD2 4.02Å; M83-F101 HydrophobicContact CG-CD2 4.23Å; M83-F101 HydrophobicContact CG-CE2 3.88Å; M83-F101 HydrophobicContact SD-CD2 3.5Å; M83-F101 WeakPolarHBondContact SD-CD2 3.31Å; M83-F101 HydrophobicContact SD-CE2 3.76Å; Q99-F101 PolarHBondContact O-N 3.21Å; F101-S107 CarbonylContact O-C 3.58Å; F101-S107 WeakPolarHBondContact O-CB 3.41Å; F101-S107 PolarHBondContact O-OG 3.04Å; F101-A111 HydrophobicContact CD1-CB 4.01Å; F101-A111 HydrophobicContact CE1-CB 3.75Å; F101-G162 VanDerWaalsContact CD2-CA 3.5Å; F101-G162 VanDerWaalsContact CG-CA 3.45Å; F101-M165 HydrophobicContact CD1-CE 3.44Å; F101-M165 VanDerWaalsContact CD1-CE 3.44Å; F101-M165 HydrophobicContact CD1-SD 4.49Å; F101-M165 HydrophobicContact CE1-CB 4.25Å; F101-M165 HydrophobicContact CE1-CE 3.32Å; F101-M165 HydrophobicContact CE1-SD 3.84Å; F101-M165 HydrophobicContact CZ-CB 4.36Å; F101-M165 HydrophobicContact CZ-CE 4.44Å |
| 102 | Y | 91.6 | Very high | 91.7 | Very high | 4 Ų | 4 | 30.6 Ų | 30.6 | 2% | 0.016 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -83.2 | -23.6 | -175.4 | -64.1 | -86.3 | 0 | 0 | 0 | 113.7 | Q99 S100 K108 A111 Y154 M157 V158 G161 M165 | Q99-Y102 HydrophobicContact CB-CD2 4.5Å; Q99-Y102 WeakPolarHBondContact O-CD2 2.96Å; Q99-Y102 PolarHBondContact O-N 3.05Å; S100-Y102 VanDerWaalsContact C-N 3.27Å; S100-Y102 PolarHBondContact O-N 3.18Å; Y102-K108 WeakPolarHBondContact O-CA 3.24Å; Y102-K108 VanDerWaalsContact O-CB 3.27Å; Y102-K108 WeakPolarHBondContact O-CB 3.31Å; Y102-A111 HydrophobicContact CD1-CB 4.24Å; Y102-Y154 AromaticContact CD1-CD2 3.78Å; Y102-Y154 HydrophobicContact CD1-CD2 3.78Å; Y102-Y154 AromaticContact CD1-CE2 3.59Å; Y102-Y154 HydrophobicContact CD1-CE2 3.59Å; Y102-Y154 AromaticContact CE1-CD2 3.58Å; Y102-Y154 HydrophobicContact CE1-CD2 3.58Å; Y102-Y154 AromaticContact CE1-CE2 3.9Å; Y102-Y154 HydrophobicContact CE1-CE2 3.9Å; Y102-Y154 HydrophobicContact CE1-CG 4.29Å; Y102-M157 HydrophobicContact CD1-CB 4.4Å; Y102-M157 HydrophobicContact CD1-CG 4.16Å; Y102-M157 HydrophobicContact CD2-CB 3.64Å; Y102-M157 HydrophobicContact CD2-CG 4.11Å; Y102-M157 HydrophobicContact CE2-CB 3.86Å; Y102-M157 VanDerWaalsContact CE2-O 3.31Å; Y102-M157 WeakPolarHBondContact CE2-O 3.22Å; Y102-M157 HydrophobicContact CG-CB 3.92Å; Y102-M157 HydrophobicContact CG-CG 3.85Å; Y102-M157 HydrophobicContact CG-SD 4.42Å; Y102-V158 PolarHBondContact OH-O 3.41Å; Y102-V158 VanDerWaalsContact OH-O 3.06Å; Y102-G161 WeakPolarHBondContact OH-CA 3.46Å; Y102-M165 HydrophobicContact CD1-CE 4.32Å; Y102-M165 HydrophobicContact CE1-CE 3.56Å |
| 103 | N | 91.1 | Very high | 91.9 | Very high | 85 Ų | 85 | 27.3 Ų | 27.3 | 46% | 0.455 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -122.6 | 7.6 | 179.9 | 57.5 | 2.9 | 0 | 0 | 0 | 112.7 | E17 S100 | E17-N103 HydrophobicContact CG-CB 4.05Å; S100-N103 WeakPolarHBondContact CA-OD1 3.3Å; S100-N103 PolarHBondContact O-OD1 2.82Å |
| 104 | G | 86.8 | Confident | 92.1 | Very high | 4 Ų | 4 | 24.2 Ų | 24.2 | 4% | 0.041 | 13% | 0.125 | C | C | . | . | S | Bend | trans | -68.2 | 148.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | S100 V106 S107 K108 | S100-G104 WeakPolarHBondContact O-CA 3.32Å; S100-G104 PolarHBondContact O-N 3.36Å; G104-V106 VanDerWaalsContact C-N 3.3Å; G104-V106 PolarHBondContact O-N 3.42Å; G104-S107 PolarHBondContact O-N 2.8Å; G104-K108 VanDerWaalsContact O-CB 3.29Å; G104-K108 WeakPolarHBondContact O-CB 3.38Å; G104-K108 WeakPolarHBondContact O-CG 3.45Å; G104-K108 PolarHBondContact O-N 3.42Å |
| 105 | P | 85.4 | Confident | 92.4 | Very high | 59 Ų | 59 | 20.9 Ų | 20.9 | 38% | 0.383 | 11% | 0.11 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.9 | -46.6 | -170.8 | 16.9 | -30.7 | 0 | 0 | 0 | 112.7 | E8 | E8-P105 HydrophobicContact CG-CB 3.65Å; E8-P105 VanDerWaalsContact OE2-CB 3.31Å; E8-P105 WeakPolarHBondContact OE2-CB 3.23Å |
| 106 | V | 89.4 | Confident | 92.6 | Very high | 1 Ų | 1 | 23.1 Ų | 23.1 | 1% | 0.006 | 12% | 0.121 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | -42.9 | 178.8 | 176.9 | 0 | 0 | 0 | 0 | 111.6 | L6 E8 R78 G104 W110 | L6-V106 WeakPolarHBondContact O-CG2 2.94Å; E8-V106 HydrophobicContact CG-CG2 4.14Å; R78-V106 HydrophobicContact CB-CG1 3.89Å; G104-V106 VanDerWaalsContact C-N 3.3Å; G104-V106 PolarHBondContact O-N 3.42Å; V106-W110 VanDerWaalsContact O-CD1 3.23Å |
| 107 | S | 92.8 | Very high | 92.7 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -79.8 | -23.4 | -165.1 | 54.6 | 0 | 0 | 0 | 0 | 114.7 | Y82 F101 G104 F109 W110 A111 | Y82-S107 WeakPolarHBondContact CE1-OG 3.49Å; F101-S107 CarbonylContact O-C 3.58Å; F101-S107 WeakPolarHBondContact O-CB 3.41Å; F101-S107 PolarHBondContact O-OG 3.04Å; G104-S107 PolarHBondContact O-N 2.8Å; S107-F109 PolarHBondContact O-N 3.11Å; S107-W110 PolarHBondContact O-N 3.21Å; S107-W110 VanDerWaalsContact O-N 3.17Å; S107-A111 WeakPolarHBondContact O-CB 3.34Å; S107-A111 PolarHBondContact O-N 2.89Å |
| 108 | K | 93.9 | Very high | 93 | Very high | 18 Ų | 18 | 23.4 Ų | 23.4 | 8% | 0.078 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -56.4 | -49.5 | -172.4 | 61.2 | -173.9 | -171.1 | 164 | 0 | 114.6 | E12 F15 E17 Y102 G104 A111 Y112 | E12-K108 WeakPolarHBondContact O-CE 3.1Å; F15-K108 HydrophobicContact CD1-CB 4.34Å; F15-K108 HydrophobicContact CD1-CD 4.37Å; F15-K108 HydrophobicContact CD1-CG 3.96Å; F15-K108 WeakPolarHBondContact O-CE 2.86Å; F15-K108 PolarHBondContact O-NZ 3.42Å; E17-K108 HydrophobicContact CB-CB 4.19Å; E17-K108 HydrophobicContact CB-CD 4.29Å; E17-K108 HydrophobicContact CG-CD 4.45Å; E17-K108 IonicContact OE1-NZ 3.52Å; E17-K108 WeakPolarHBondContact OE2-CD 3.12Å; E17-K108 IonicContact OE2-NZ 2.96Å; E17-K108 PolarHBondContact OE2-NZ 3.12Å; Y102-K108 WeakPolarHBondContact O-CA 3.24Å; Y102-K108 VanDerWaalsContact O-CB 3.27Å; Y102-K108 WeakPolarHBondContact O-CB 3.31Å; G104-K108 VanDerWaalsContact O-CB 3.29Å; G104-K108 WeakPolarHBondContact O-CB 3.38Å; G104-K108 WeakPolarHBondContact O-CG 3.45Å; G104-K108 PolarHBondContact O-N 3.42Å; K108-A111 PolarHBondContact O-N 3.15Å; K108-Y112 PolarHBondContact O-N 3.27Å |
| 109 | F | 95.9 | Very high | 93.7 | Very high | 58 Ų | 58 | 23.1 Ų | 23.1 | 25% | 0.254 | 13% | 0.125 | S | C | . | . | H | α-helix | trans | -62.6 | -46.1 | 177.3 | 170.2 | -92.7 | 0 | 0 | 0 | 111 | F11 E12 F15 S107 A111 Y112 A113 | F11-F109 HydrophobicContact CD2-CD1 4.26Å; F11-F109 HydrophobicContact CD2-CD2 4.21Å; F11-F109 HydrophobicContact CD2-CE1 4.31Å; F11-F109 HydrophobicContact CD2-CE2 4.26Å; F11-F109 HydrophobicContact CD2-CG 4.2Å; F11-F109 HydrophobicContact CD2-CZ 4.31Å; F11-F109 AromaticContact CE2-CD1 3.57Å; F11-F109 HydrophobicContact CE2-CD1 3.57Å; F11-F109 HydrophobicContact CE2-CD2 4.33Å; F11-F109 AromaticContact CE2-CE1 3.63Å; F11-F109 HydrophobicContact CE2-CE1 3.63Å; F11-F109 HydrophobicContact CE2-CE2 4.39Å; F11-F109 AromaticContact CE2-CG 3.92Å; F11-F109 HydrophobicContact CE2-CG 3.92Å; F11-F109 HydrophobicContact CE2-CZ 4.05Å; E12-F109 HydrophobicContact CG-CB 4.47Å; F15-F109 HydrophobicContact CB-CB 4.3Å; F15-F109 HydrophobicContact CD1-CB 4.16Å; F15-F109 HydrophobicContact CD2-CB 4.47Å; F15-F109 AromaticContact CD2-CD2 3.71Å; F15-F109 HydrophobicContact CD2-CD2 3.71Å; F15-F109 HydrophobicContact CE2-CD2 4.08Å; F15-F109 HydrophobicContact CG-CB 4.05Å; F15-F109 HydrophobicContact CG-CD2 4.11Å; S107-F109 PolarHBondContact O-N 3.11Å; F109-A111 VanDerWaalsContact C-N 3.34Å; F109-A111 PolarHBondContact O-N 3.38Å; F109-Y112 PolarHBondContact O-N 3.13Å; F109-A113 HydrophobicContact CE1-CB 4.17Å; F109-A113 HydrophobicContact CZ-CB 4.36Å; F109-A113 WeakPolarHBondContact O-CB 3.47Å; F109-A113 PolarHBondContact O-N 3.18Å |
| 110 | W | 96.8 | Very high | 94 | Very high | 16 Ų | 16 | 23.5 Ų | 23.5 | 6% | 0.061 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -67.9 | -33.8 | -177.4 | -65.7 | 102 | 0 | 0 | 0 | 112.5 | F11 E12 F71 F74 R78 T79 V106 S107 F114 Y169 | F11-W110 HydrophobicContact CZ-CZ2 4.27Å; E12-W110 PolarHBondContact OE1-NE1 2.97Å; F71-W110 HydrophobicContact CD2-CZ3 4.23Å; F71-W110 HydrophobicContact CE2-CZ3 4.17Å; F74-W110 HydrophobicContact CB-CH2 3.38Å; F74-W110 HydrophobicContact CB-CZ2 4.01Å; F74-W110 HydrophobicContact CB-CZ3 4.01Å; F74-W110 HydrophobicContact CG-CH2 4.43Å; R78-W110 HydrophobicContact CB-CD2 4.37Å; R78-W110 HydrophobicContact CB-CG 4.23Å; R78-W110 HydrophobicContact CG-CZ2 3.94Å; T79-W110 HydrophobicContact CG2-CB 3.55Å; T79-W110 HydrophobicContact CG2-CG 4.22Å; V106-W110 VanDerWaalsContact O-CD1 3.23Å; S107-W110 PolarHBondContact O-N 3.21Å; S107-W110 VanDerWaalsContact O-N 3.17Å; W110-F114 VanDerWaalsContact O-CB 3.24Å; W110-F114 WeakPolarHBondContact O-CB 3.45Å; W110-F114 PolarHBondContact O-N 3.38Å; W110-Y169 HydrophobicContact CB-CE2 4.48Å; W110-Y169 PolarHBondContact O-OH 2.92Å; W110-Y169 VanDerWaalsContact O-OH 3.05Å |
| 111 | A | 96.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -62.2 | -45.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111 | F101 Y102 S107 K108 F109 F114 V115 Y154 M165 | F101-A111 HydrophobicContact CD1-CB 4.01Å; F101-A111 HydrophobicContact CE1-CB 3.75Å; Y102-A111 HydrophobicContact CD1-CB 4.24Å; S107-A111 WeakPolarHBondContact O-CB 3.34Å; S107-A111 PolarHBondContact O-N 2.89Å; K108-A111 PolarHBondContact O-N 3.15Å; F109-A111 VanDerWaalsContact C-N 3.34Å; F109-A111 PolarHBondContact O-N 3.38Å; A111-F114 WeakPolarHBondContact O-CB 3.34Å; A111-V115 PolarHBondContact O-N 2.94Å; A111-Y154 HydrophobicContact CB-CE2 3.88Å; A111-Y154 WeakPolarHBondContact O-CE2 3.41Å; A111-M165 HydrophobicContact CB-CE 4.19Å; A111-M165 HydrophobicContact CB-SD 3.95Å |
| 112 | Y | 97.2 | Very high | 94.7 | Very high | 39 Ų | 39 | 23.5 Ų | 23.5 | 15% | 0.153 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -67.1 | -47.7 | 177 | -176.6 | -118.9 | 0 | 0 | 0 | 112.1 | F15 A20 W23 M24 K108 F109 F114 V115 L116 Y154 | F15-Y112 AromaticContact CE2-CD1 3.77Å; F15-Y112 HydrophobicContact CE2-CD1 3.77Å; F15-Y112 HydrophobicContact CE2-CE1 4.38Å; F15-Y112 HydrophobicContact CE2-CG 4.44Å; F15-Y112 AromaticContact CZ-CD1 3.51Å; F15-Y112 HydrophobicContact CZ-CD1 3.51Å; F15-Y112 HydrophobicContact CZ-CE1 4.34Å; F15-Y112 AromaticContact CZ-CG 3.73Å; F15-Y112 HydrophobicContact CZ-CG 3.73Å; A20-Y112 HydrophobicContact CB-CD1 4.2Å; A20-Y112 HydrophobicContact CB-CD2 3.68Å; A20-Y112 HydrophobicContact CB-CE1 4.35Å; A20-Y112 HydrophobicContact CB-CE2 3.87Å; A20-Y112 HydrophobicContact CB-CG 3.85Å; W23-Y112 HydrophobicContact CE3-CE2 4.29Å; M24-Y112 HydrophobicContact CG-CD2 4.08Å; M24-Y112 HydrophobicContact CG-CE2 3.76Å; M24-Y112 HydrophobicContact SD-CE2 4.01Å; K108-Y112 PolarHBondContact O-N 3.27Å; F109-Y112 PolarHBondContact O-N 3.13Å; Y112-F114 VanDerWaalsContact C-N 3.25Å; Y112-F114 PolarHBondContact O-N 2.98Å; Y112-V115 PolarHBondContact O-N 3.17Å; Y112-V115 VanDerWaalsContact O-N 3.16Å; Y112-L116 HydrophobicContact CD1-CD1 3.96Å; Y112-L116 HydrophobicContact CE1-CD1 3.38Å; Y112-L116 HydrophobicContact CE1-CG 4.18Å; Y112-L116 HydrophobicContact CE2-CD1 4.22Å; Y112-L116 HydrophobicContact CE2-CD2 4.37Å; Y112-L116 HydrophobicContact CE2-CG 4.21Å; Y112-L116 PolarHBondContact O-N 3.28Å; Y112-L116 VanDerWaalsContact O-N 3.11Å; Y112-Y154 HydrophobicContact CD2-CE1 4.25Å |
| 113 | A | 97.4 | Very high | 94.9 | Very high | 14 Ų | 14 | 24.1 Ų | 24.1 | 12% | 0.116 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -59.7 | -36.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | F71 F109 L116 S117 | F71-A113 HydrophobicContact CE2-CB 3.92Å; F71-A113 HydrophobicContact CZ-CB 4.04Å; F109-A113 HydrophobicContact CE1-CB 4.17Å; F109-A113 HydrophobicContact CZ-CB 4.36Å; F109-A113 WeakPolarHBondContact O-CB 3.47Å; F109-A113 PolarHBondContact O-N 3.18Å; A113-L116 PolarHBondContact O-N 3.28Å; A113-S117 WeakPolarHBondContact O-CB 3.47Å; A113-S117 PolarHBondContact O-N 2.93Å |
| 114 | F | 98 | Very high | 95.2 | Very high | 13 Ų | 13 | 20.8 Ų | 20.8 | 6% | 0.057 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -57.6 | -47.6 | 175.1 | 177.6 | -91.7 | 0 | 0 | 0 | 112.7 | W110 A111 Y112 S117 M165 N168 Y169 | W110-F114 VanDerWaalsContact O-CB 3.24Å; W110-F114 WeakPolarHBondContact O-CB 3.45Å; W110-F114 PolarHBondContact O-N 3.38Å; A111-F114 WeakPolarHBondContact O-CB 3.34Å; Y112-F114 VanDerWaalsContact C-N 3.25Å; Y112-F114 PolarHBondContact O-N 2.98Å; F114-S117 PolarHBondContact O-N 3.07Å; F114-S117 PolarHBondContact O-OG 3.25Å; F114-M165 HydrophobicContact CB-CG 4.48Å; F114-M165 HydrophobicContact CB-SD 4.29Å; F114-M165 HydrophobicContact CD1-CB 4.28Å; F114-M165 HydrophobicContact CD1-CG 3.53Å; F114-M165 HydrophobicContact CD1-SD 3.98Å; F114-M165 HydrophobicContact CD2-CB 4.18Å; F114-M165 HydrophobicContact CD2-CG 4.31Å; F114-M165 HydrophobicContact CE1-CB 4.44Å; F114-M165 HydrophobicContact CE1-CG 3.72Å; F114-M165 HydrophobicContact CE2-CB 4.32Å; F114-M165 HydrophobicContact CE2-CG 4.46Å; F114-M165 HydrophobicContact CG-CB 4.14Å; F114-M165 HydrophobicContact CG-CG 3.84Å; F114-M165 HydrophobicContact CG-SD 4.24Å; F114-M165 HydrophobicContact CZ-CB 4.45Å; F114-M165 HydrophobicContact CZ-CG 4.18Å; F114-N168 HydrophobicContact CE2-CB 3.64Å; F114-N168 WeakPolarHBondContact CE2-OD1 3.49Å; F114-N168 HydrophobicContact CZ-CB 3.8Å; F114-Y169 VanDerWaalsContact CA-OH 3.31Å; F114-Y169 WeakPolarHBondContact CA-OH 3.35Å; F114-Y169 HydrophobicContact CB-CE2 3.78Å; F114-Y169 WeakPolarHBondContact CB-OH 3.48Å; F114-Y169 HydrophobicContact CD2-CD1 4.37Å; F114-Y169 AromaticContact CD2-CD2 3.91Å; F114-Y169 HydrophobicContact CD2-CD2 3.91Å; F114-Y169 HydrophobicContact CD2-CE1 4.14Å; F114-Y169 AromaticContact CD2-CE2 3.63Å; F114-Y169 HydrophobicContact CD2-CE2 3.63Å; F114-Y169 HydrophobicContact CD2-CG 4.28Å; F114-Y169 AromaticContact CD2-CZ 3.76Å; F114-Y169 HydrophobicContact CG-CE2 4.15Å; F114-Y169 PolarHBondContact N-OH 2.61Å |
| 115 | V | 96.8 | Very high | 95.6 | Very high | 2 Ų | 2 | 20.6 Ų | 20.6 | 1% | 0.012 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -70.7 | -40 | -175.9 | 177.3 | 0 | 0 | 0 | 0 | 110.1 | M24 A111 Y112 S117 K118 W151 Y154 | M24-V115 HydrophobicContact CE-CG1 3.51Å; M24-V115 HydrophobicContact SD-CG1 4.27Å; A111-V115 PolarHBondContact O-N 2.94Å; Y112-V115 PolarHBondContact O-N 3.17Å; Y112-V115 VanDerWaalsContact O-N 3.16Å; V115-S117 VanDerWaalsContact C-N 3.32Å; V115-S117 PolarHBondContact O-N 2.99Å; V115-K118 PolarHBondContact O-N 3.16Å; V115-W151 HydrophobicContact CG1-CB 4.44Å; V115-W151 HydrophobicContact CG1-CG 3.9Å; V115-W151 PolarHBondContact O-NE1 3.46Å; V115-Y154 HydrophobicContact CB-CD2 4.39Å; V115-Y154 HydrophobicContact CG2-CD2 3.46Å; V115-Y154 VanDerWaalsContact CG2-CD2 3.46Å; V115-Y154 HydrophobicContact CG2-CE2 4.31Å; V115-Y154 HydrophobicContact CG2-CG 3.82Å |
| 116 | L | 97.1 | Very high | 96.1 | Very high | 54 Ų | 54 | 21 Ų | 21 | 28% | 0.283 | 12% | 0.117 | S | C | . | . | H | α-helix | trans | -63.8 | -36.7 | 173.6 | -67 | -171.4 | 0 | 0 | 0 | 112.3 | W23 M24 Y112 A113 K118 A119 P120 W151 | W23-L116 HydrophobicContact CH2-CD2 4.2Å; W23-L116 HydrophobicContact CZ3-CD2 3.87Å; M24-L116 HydrophobicContact SD-CD2 4.47Å; Y112-L116 HydrophobicContact CD1-CD1 3.96Å; Y112-L116 HydrophobicContact CE1-CD1 3.38Å; Y112-L116 HydrophobicContact CE1-CG 4.18Å; Y112-L116 HydrophobicContact CE2-CD1 4.22Å; Y112-L116 HydrophobicContact CE2-CD2 4.37Å; Y112-L116 HydrophobicContact CE2-CG 4.21Å; Y112-L116 PolarHBondContact O-N 3.28Å; Y112-L116 VanDerWaalsContact O-N 3.11Å; A113-L116 PolarHBondContact O-N 3.28Å; L116-K118 PolarHBondContact O-N 3Å; L116-K118 VanDerWaalsContact O-N 3.11Å; L116-A119 PolarHBondContact O-N 2.9Å; L116-P120 WeakPolarHBondContact O-CD 3.36Å; L116-W151 HydrophobicContact CD2-CH2 4.31Å; L116-W151 HydrophobicContact CD2-CZ2 3.91Å |
| 117 | S | 97.6 | Very high | 96.4 | Very high | 10 Ų | 10 | 22.1 Ų | 22.1 | 7% | 0.07 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -61.1 | -23.3 | -177.2 | 85 | 0 | 0 | 0 | 0 | 113.6 | F71 A113 F114 V115 A119 P120 E121 | F71-S117 VanDerWaalsContact CE1-CB 3.41Å; A113-S117 WeakPolarHBondContact O-CB 3.47Å; A113-S117 PolarHBondContact O-N 2.93Å; F114-S117 PolarHBondContact O-N 3.07Å; F114-S117 PolarHBondContact O-OG 3.25Å; V115-S117 VanDerWaalsContact C-N 3.32Å; V115-S117 PolarHBondContact O-N 2.99Å; S117-A119 PolarHBondContact O-N 3.21Å; S117-P120 VanDerWaalsContact O-CD 3.26Å; S117-P120 WeakPolarHBondContact O-CD 3.49Å; S117-E121 WeakPolarHBondContact O-CB 3.25Å; S117-E121 WeakPolarHBondContact O-CG 3.44Å; S117-E121 PolarHBondContact O-N 2.9Å; S117-E121 PolarHBondContact OG-OE1 2.86Å |
| 118 | K | 97.4 | Very high | 96.6 | Very high | 1 Ų | 1 | 23.9 Ų | 23.9 | 0% | 0.004 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -63.8 | -28.2 | 179.4 | -57.4 | -44.4 | 175.9 | -165.5 | 0 | 113.3 | V115 L116 E121 V146 L147 S150 N168 | V115-K118 PolarHBondContact O-N 3.16Å; L116-K118 PolarHBondContact O-N 3Å; L116-K118 VanDerWaalsContact O-N 3.11Å; K118-E121 VanDerWaalsContact CD-OE2 3.31Å; K118-E121 WeakPolarHBondContact CD-OE2 3.25Å; K118-E121 IonicContact NZ-OE1 3.69Å; K118-E121 PolarHBondContact NZ-OE1 3.28Å; K118-E121 IonicContact NZ-OE2 3.02Å; K118-E121 PolarHBondContact NZ-OE2 2.92Å; K118-V146 HydrophobicContact CD-CG1 4.3Å; K118-L147 HydrophobicContact CB-CB 4.23Å; K118-L147 HydrophobicContact CB-CD1 3.81Å; K118-S150 WeakPolarHBondContact CG-OG 3.13Å; K118-N168 PolarHBondContact NZ-OD1 3.03Å |
| 119 | A | 96.4 | Very high | 96.7 | Very high | 25 Ų | 25 | 23.3 Ų | 23.3 | 21% | 0.207 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -73.7 | -50.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | F34 L116 S117 E121 L122 L147 | F34-A119 HydrophobicContact CD2-CB 4.1Å; F34-A119 HydrophobicContact CE2-CB 4.26Å; L116-A119 PolarHBondContact O-N 2.9Å; S117-A119 PolarHBondContact O-N 3.21Å; A119-E121 VanDerWaalsContact C-N 3.31Å; A119-E121 PolarHBondContact O-N 3.48Å; A119-L122 VanDerWaalsContact O-CB 3.27Å; A119-L122 WeakPolarHBondContact O-CB 3.34Å; A119-L122 VanDerWaalsContact O-CG 3.26Å; A119-L122 WeakPolarHBondContact O-CG 3.02Å; A119-L122 PolarHBondContact O-N 3.25Å; A119-L147 HydrophobicContact CB-CD1 4.15Å |
| 120 | P | 96.6 | Very high | 96.7 | Very high | 66 Ų | 66 | 22.6 Ų | 22.6 | 43% | 0.429 | 13% | 0.128 | S | C | . | . | H | α-helix | trans | -54.1 | -42.3 | 169.2 | -30 | 35.9 | 0 | 0 | 0 | 113.7 | W64 L116 S117 L122 G123 | W64-P120 HydrophobicContact CH2-CB 4.11Å; W64-P120 WeakPolarHBondContact CH2-O 3.28Å; W64-P120 WeakPolarHBondContact CZ2-O 3.23Å; L116-P120 WeakPolarHBondContact O-CD 3.36Å; S117-P120 VanDerWaalsContact O-CD 3.26Å; S117-P120 WeakPolarHBondContact O-CD 3.49Å; P120-L122 PolarHBondContact O-N 3.45Å; P120-G123 WeakPolarHBondContact O-CA 3.41Å; P120-G123 PolarHBondContact O-N 3.16Å |
| 121 | E | 97.6 | Very high | 96.6 | Very high | 1 Ų | 1 | 24.4 Ų | 24.4 | 1% | 0.005 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -55.8 | -22.2 | -179.9 | -75.7 | 170.7 | -146 | 0 | 0 | 113.5 | L68 S117 K118 A119 G123 D124 H172 | L68-E121 HydrophobicContact CD2-CG 4.44Å; S117-E121 WeakPolarHBondContact O-CB 3.25Å; S117-E121 WeakPolarHBondContact O-CG 3.44Å; S117-E121 PolarHBondContact O-N 2.9Å; S117-E121 PolarHBondContact OG-OE1 2.86Å; K118-E121 VanDerWaalsContact CD-OE2 3.31Å; K118-E121 WeakPolarHBondContact CD-OE2 3.25Å; K118-E121 IonicContact NZ-OE1 3.69Å; K118-E121 PolarHBondContact NZ-OE1 3.28Å; K118-E121 IonicContact NZ-OE2 3.02Å; K118-E121 PolarHBondContact NZ-OE2 2.92Å; A119-E121 VanDerWaalsContact C-N 3.31Å; A119-E121 PolarHBondContact O-N 3.48Å; E121-G123 PolarHBondContact O-N 2.75Å; E121-G123 VanDerWaalsContact O-N 3.12Å; E121-D124 WeakPolarHBondContact O-CB 3.2Å; E121-D124 PolarHBondContact O-N 2.91Å; E121-H172 IonicContact OE1-ND1 2.8Å; E121-H172 IonicContact OE2-CE1 3.19Å; E121-H172 PolarHBondContact OE2-CE1 3.35Å; E121-H172 VanDerWaalsContact OE2-CE1 3.3Å; E121-H172 IonicContact OE2-ND1 4Å |
| 122 | L | 96.4 | Very high | 96.5 | Very high | 23 Ų | 23 | 29.1 Ų | 29.1 | 12% | 0.12 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -23.3 | 170 | -58.7 | -178.1 | 0 | 0 | 0 | 113.2 | Y38 A119 P120 D124 T125 H143 L147 | Y38-L122 HydrophobicContact CD1-CD2 4.34Å; Y38-L122 HydrophobicContact CD2-CB 3.86Å; Y38-L122 HydrophobicContact CD2-CD1 4.14Å; Y38-L122 HydrophobicContact CD2-CD2 3.86Å; Y38-L122 HydrophobicContact CD2-CG 4.17Å; Y38-L122 HydrophobicContact CE1-CD2 4.38Å; Y38-L122 HydrophobicContact CE2-CB 4.06Å; Y38-L122 HydrophobicContact CE2-CD2 3.9Å; Y38-L122 HydrophobicContact CE2-CG 4.49Å; Y38-L122 HydrophobicContact CG-CD1 4.21Å; Y38-L122 HydrophobicContact CG-CD2 4.07Å; A119-L122 VanDerWaalsContact O-CB 3.27Å; A119-L122 WeakPolarHBondContact O-CB 3.34Å; A119-L122 VanDerWaalsContact O-CG 3.26Å; A119-L122 WeakPolarHBondContact O-CG 3.02Å; A119-L122 PolarHBondContact O-N 3.25Å; P120-L122 PolarHBondContact O-N 3.45Å; L122-D124 PolarHBondContact O-N 3.48Å; L122-T125 WeakPolarHBondContact O-CB 3.38Å; L122-T125 PolarHBondContact O-N 3.11Å; L122-T125 VanDerWaalsContact O-N 3.15Å; L122-H143 HydrophobicContact CD2-CB 3.94Å; L122-L147 HydrophobicContact CD1-CD2 3.8Å; L122-L147 HydrophobicContact CD2-CD2 4.36Å; L122-L147 HydrophobicContact CG-CD2 4.36Å |
| 123 | G | 95.6 | Very high | 96.4 | Very high | 17 Ų | 17 | 32.1 Ų | 32.1 | 18% | 0.175 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -59.2 | -22.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | P120 E121 T125 L126 F127 | P120-G123 WeakPolarHBondContact O-CA 3.41Å; P120-G123 PolarHBondContact O-N 3.16Å; E121-G123 PolarHBondContact O-N 2.75Å; E121-G123 VanDerWaalsContact O-N 3.12Å; G123-T125 PolarHBondContact O-N 3.1Å; G123-L126 VanDerWaalsContact O-CB 3.29Å; G123-L126 WeakPolarHBondContact O-CB 3.31Å; G123-L126 PolarHBondContact O-N 3.21Å; G123-L126 VanDerWaalsContact O-N 3.12Å; G123-F127 VanDerWaalsContact O-CD2 3.23Å; G123-F127 WeakPolarHBondContact O-CD2 3.22Å; G123-F127 PolarHBondContact O-N 3.04Å |
| 124 | D | 96.4 | Very high | 96.1 | Very high | 15 Ų | 15 | 40.3 Ų | 40.3 | 8% | 0.08 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -59.5 | -39.4 | 174.2 | -71.3 | -13.9 | 0 | 0 | 0 | 111.4 | W64 E121 L122 F127 I128 H143 Y176 | W64-D124 PolarHBondContact NE1-OD1 3.19Å; E121-D124 WeakPolarHBondContact O-CB 3.2Å; E121-D124 PolarHBondContact O-N 2.91Å; L122-D124 PolarHBondContact O-N 3.48Å; D124-F127 PolarHBondContact O-N 3.46Å; D124-I128 WeakPolarHBondContact O-CG1 3.31Å; D124-I128 PolarHBondContact O-N 2.93Å; D124-I128 VanDerWaalsContact O-N 3.16Å; D124-H143 IonicContact OD2-CE1 3.72Å; D124-H143 IonicContact OD2-NE2 3.37Å; D124-Y176 VanDerWaalsContact OD2-CE1 3.3Å; D124-Y176 WeakPolarHBondContact OD2-CE1 3.41Å; D124-Y176 PolarHBondContact OD2-OH 3.2Å |
| 125 | T | 96.9 | Very high | 96 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -70.2 | -33.1 | 178.1 | -51 | 0 | 0 | 0 | 0 | 112.2 | Y38 I42 L122 G123 F127 I128 V129 L135 H139 | Y38-T125 HydrophobicContact CE2-CG2 3.86Å; Y38-T125 WeakPolarHBondContact CE2-OG1 3.33Å; Y38-T125 PolarHBondContact OH-OG1 3.45Å; I42-T125 HydrophobicContact CD1-CG2 4.06Å; I42-T125 HydrophobicContact CG1-CG2 3.77Å; L122-T125 WeakPolarHBondContact O-CB 3.38Å; L122-T125 PolarHBondContact O-N 3.11Å; L122-T125 VanDerWaalsContact O-N 3.15Å; G123-T125 PolarHBondContact O-N 3.1Å; T125-F127 VanDerWaalsContact C-N 3.33Å; T125-F127 PolarHBondContact O-N 2.99Å; T125-I128 PolarHBondContact O-N 3.3Å; T125-V129 HydrophobicContact CG2-CG2 4.27Å; T125-V129 WeakPolarHBondContact O-CG2 3.47Å; T125-V129 PolarHBondContact O-N 3.43Å; T125-L135 HydrophobicContact CG2-CD1 3.84Å; T125-L135 HydrophobicContact CG2-CD2 3.96Å; T125-H139 PolarHBondContact OG1-CD2 2.96Å; T125-H139 PolarHBondContact OG1-NE2 2.89Å |
| 126 | L | 95.4 | Very high | 96 | Very high | 67 Ų | 67 | 43.3 Ų | 43.3 | 35% | 0.351 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -56.6 | -48.6 | 172.5 | 172.6 | 68.6 | 0 | 0 | 0 | 110.2 | F41 G123 I128 V129 L130 | F41-L126 HydrophobicContact CE1-CB 4.15Å; F41-L126 HydrophobicContact CE1-CD1 4.1Å; F41-L126 HydrophobicContact CE2-CD1 3.45Å; F41-L126 VanDerWaalsContact CE2-CD1 3.45Å; F41-L126 HydrophobicContact CZ-CB 4.06Å; F41-L126 HydrophobicContact CZ-CD1 3.19Å; F41-L126 HydrophobicContact CZ-CG 4.22Å; G123-L126 VanDerWaalsContact O-CB 3.29Å; G123-L126 WeakPolarHBondContact O-CB 3.31Å; G123-L126 PolarHBondContact O-N 3.21Å; G123-L126 VanDerWaalsContact O-N 3.12Å; L126-I128 VanDerWaalsContact C-N 3.34Å; L126-I128 PolarHBondContact O-N 3.49Å; L126-V129 PolarHBondContact O-N 2.86Å; L126-L130 HydrophobicContact CD1-CD1 3.5Å; L126-L130 HydrophobicContact CD1-CG 3.86Å; L126-L130 HydrophobicContact CG-CD1 3.85Å; L126-L130 HydrophobicContact CG-CG 4.42Å; L126-L130 WeakPolarHBondContact O-CB 3.37Å; L126-L130 VanDerWaalsContact O-CG 3.3Å; L126-L130 WeakPolarHBondContact O-CG 3.44Å; L126-L130 PolarHBondContact O-N 3.37Å |
| 127 | F | 95.9 | Very high | 95.9 | Very high | 25 Ų | 25 | 45.6 Ų | 45.6 | 11% | 0.11 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -62.2 | -39.5 | 176.3 | -72.4 | -71.6 | 0 | 0 | 0 | 112.8 | L57 P60 L61 W64 G123 D124 T125 R131 | L57-F127 HydrophobicContact CB-CD1 3.99Å; L57-F127 HydrophobicContact CB-CE1 4.15Å; L57-F127 HydrophobicContact CD1-CD1 4.01Å; L57-F127 HydrophobicContact CD1-CE1 4.33Å; P60-F127 HydrophobicContact CB-CE1 4Å; P60-F127 HydrophobicContact CB-CZ 4.3Å; L61-F127 HydrophobicContact CB-CD1 4Å; L61-F127 HydrophobicContact CB-CE1 4.15Å; L61-F127 HydrophobicContact CB-CG 4.42Å; L61-F127 HydrophobicContact CD1-CB 4.01Å; L61-F127 HydrophobicContact CD1-CD1 4.26Å; L61-F127 HydrophobicContact CD1-CD2 3.93Å; L61-F127 HydrophobicContact CD1-CE2 4.5Å; L61-F127 HydrophobicContact CD1-CG 3.8Å; W64-F127 HydrophobicContact CB-CE2 3.81Å; W64-F127 HydrophobicContact CB-CZ 4.03Å; W64-F127 AromaticContact CD1-CE2 3.7Å; W64-F127 AromaticContact CD2-CE2 3.9Å; W64-F127 HydrophobicContact CD2-CE2 3.9Å; W64-F127 HydrophobicContact CG-CD2 4.33Å; W64-F127 AromaticContact CG-CE2 3.51Å; W64-F127 HydrophobicContact CG-CE2 3.51Å; W64-F127 HydrophobicContact CG-CZ 4.2Å; G123-F127 VanDerWaalsContact O-CD2 3.23Å; G123-F127 WeakPolarHBondContact O-CD2 3.22Å; G123-F127 PolarHBondContact O-N 3.04Å; D124-F127 PolarHBondContact O-N 3.46Å; T125-F127 VanDerWaalsContact C-N 3.33Å; T125-F127 PolarHBondContact O-N 2.99Å; F127-R131 WeakPolarHBondContact O-CB 3.38Å; F127-R131 WeakPolarHBondContact O-CG 3.28Å; F127-R131 PolarHBondContact O-N 3.5Å |
| 128 | I | 96.3 | Very high | 95.9 | Very high | 37 Ų | 37 | 45.9 Ų | 45.9 | 19% | 0.19 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62.3 | -48.2 | 177.4 | -69.9 | 167.8 | 0 | 0 | 0 | 110.8 | D124 T125 L126 K132 Q133 L135 H139 | D124-I128 WeakPolarHBondContact O-CG1 3.31Å; D124-I128 PolarHBondContact O-N 2.93Å; D124-I128 VanDerWaalsContact O-N 3.16Å; T125-I128 PolarHBondContact O-N 3.3Å; L126-I128 VanDerWaalsContact C-N 3.34Å; L126-I128 PolarHBondContact O-N 3.49Å; I128-K132 PolarHBondContact O-N 3.45Å; I128-Q133 HydrophobicContact CG2-CB 4.02Å; I128-Q133 PolarHBondContact O-N 3.47Å; I128-L135 HydrophobicContact CD1-CD1 4.4Å; I128-L135 HydrophobicContact CG2-CB 3.86Å; I128-L135 HydrophobicContact CG2-CD1 4.06Å; I128-H139 WeakPolarHBondContact CD1-NE2 3.44Å |
| 129 | V | 96.6 | Very high | 95.8 | Very high | 6 Ų | 6 | 47.6 Ų | 47.6 | 4% | 0.036 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -66.5 | -49 | -177.9 | 172.7 | 0 | 0 | 0 | 0 | 111.2 | F41 R46 M49 T125 L126 R131 K132 L135 | F41-V129 HydrophobicContact CE1-CB 4.25Å; F41-V129 HydrophobicContact CE1-CG2 4.21Å; F41-V129 HydrophobicContact CZ-CB 4.25Å; F41-V129 HydrophobicContact CZ-CG1 4.3Å; R46-V129 HydrophobicContact CG-CG1 4.34Å; R46-V129 HydrophobicContact CG-CG2 4.36Å; M49-V129 HydrophobicContact CG-CG1 4.25Å; T125-V129 HydrophobicContact CG2-CG2 4.27Å; T125-V129 WeakPolarHBondContact O-CG2 3.47Å; T125-V129 PolarHBondContact O-N 3.43Å; L126-V129 PolarHBondContact O-N 2.86Å; V129-R131 VanDerWaalsContact C-N 3.3Å; V129-R131 PolarHBondContact O-N 3.39Å; V129-K132 PolarHBondContact O-N 2.98Å; V129-K132 VanDerWaalsContact O-N 3.08Å; V129-L135 HydrophobicContact CG2-CD2 4.33Å |
| 130 | L | 95.8 | Very high | 95.9 | Very high | 43 Ų | 43 | 50.3 Ų | 50.3 | 23% | 0.225 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -66.9 | -29.8 | -178.6 | -67.5 | -178.8 | 0 | 0 | 0 | 113.1 | M49 F55 L57 L126 K132 | M49-L130 WeakPolarHBondContact CE-O 3.19Å; M49-L130 HydrophobicContact CG-CD2 4.44Å; M49-L130 HydrophobicContact SD-CD2 3.98Å; F55-L130 HydrophobicContact CD2-CB 4.07Å; F55-L130 HydrophobicContact CD2-CD2 4.12Å; F55-L130 HydrophobicContact CE2-CD2 4.14Å; F55-L130 PolarHBondContact N-O 3.21Å; F55-L130 VanDerWaalsContact N-O 3.08Å; L57-L130 HydrophobicContact CD1-CB 3.68Å; L57-L130 HydrophobicContact CD1-CD1 3.74Å; L57-L130 HydrophobicContact CD1-CG 4.39Å; L126-L130 HydrophobicContact CD1-CD1 3.5Å; L126-L130 HydrophobicContact CD1-CG 3.86Å; L126-L130 HydrophobicContact CG-CD1 3.85Å; L126-L130 HydrophobicContact CG-CG 4.42Å; L126-L130 WeakPolarHBondContact O-CB 3.37Å; L126-L130 VanDerWaalsContact O-CG 3.3Å; L126-L130 WeakPolarHBondContact O-CG 3.44Å; L126-L130 PolarHBondContact O-N 3.37Å; L130-K132 VanDerWaalsContact C-N 3.28Å |
| 131 | R | 95.3 | Very high | 95.9 | Very high | 54 Ų | 54 | 49.8 Ų | 49.8 | 20% | 0.204 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | 6.7 | 175.4 | -62.4 | 178.5 | 64.4 | -140.7 | -6.5 | 113.3 | L57 F127 V129 Q133 | L57-R131 HydrophobicContact CB-CG 4.16Å; L57-R131 HydrophobicContact CD1-CG 4.4Å; F127-R131 WeakPolarHBondContact O-CB 3.38Å; F127-R131 WeakPolarHBondContact O-CG 3.28Å; F127-R131 PolarHBondContact O-N 3.5Å; V129-R131 VanDerWaalsContact C-N 3.3Å; V129-R131 PolarHBondContact O-N 3.39Å; R131-Q133 HydrophobicContact CB-CG 3.96Å; R131-Q133 PolarHBondContact O-N 2.84Å; R131-Q133 PolarHBondContact O-NE2 2.7Å |
| 132 | K | 94.1 | Very high | 95.9 | Very high | 100 Ų | 100 | 50.7 Ų | 50.7 | 44% | 0.435 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.7 | 34.5 | -176 | -63.5 | -172.1 | 168.8 | -167.1 | 0 | 113.8 | M49 R52 K54 I128 V129 L130 | M49-K132 HydrophobicContact CE-CG 4.02Å; M49-K132 WeakPolarHBondContact O-CE 3.48Å; M49-K132 PolarHBondContact O-NZ 2.86Å; M49-K132 VanDerWaalsContact O-NZ 3.07Å; R52-K132 WeakPolarHBondContact O-CE 3.38Å; R52-K132 PolarHBondContact O-NZ 3.41Å; K54-K132 HydrophobicContact CB-CB 4.33Å; K54-K132 HydrophobicContact CB-CD 4.18Å; K54-K132 HydrophobicContact CB-CG 4.17Å; I128-K132 PolarHBondContact O-N 3.45Å; V129-K132 PolarHBondContact O-N 2.98Å; V129-K132 VanDerWaalsContact O-N 3.08Å; L130-K132 VanDerWaalsContact C-N 3.28Å |
| 133 | Q | 93.9 | Very high | 96 | Very high | 102 Ų | 102 | 50.1 Ų | 50.1 | 48% | 0.477 | 23% | 0.231 | S | C | . | . | trans | -80 | 157.9 | 175.3 | -60.8 | -57 | -62 | 0 | 0 | 110.3 | I128 R131 L135 | I128-Q133 HydrophobicContact CG2-CB 4.02Å; I128-Q133 PolarHBondContact O-N 3.47Å; R131-Q133 HydrophobicContact CB-CG 3.96Å; R131-Q133 PolarHBondContact O-N 2.84Å; R131-Q133 PolarHBondContact O-NE2 2.7Å; Q133-L135 PolarHBondContact O-N 3.16Å | ||
| 134 | K | 93.1 | Very high | 96.1 | Very high | 185 Ų | 185 | 51.4 Ų | 51.4 | 80% | 0.804 | 23% | 0.233 | S | C | * | . | trans | -68 | 105.3 | 178.8 | -174.5 | -176.7 | -179.8 | -175.3 | 0 | 109.6 | I136 | K134-I136 HydrophobicContact CD-CG2 4.24Å; K134-I136 HydrophobicContact CG-CG2 4.2Å; K134-I136 PolarHBondContact O-N 3.44Å | ||
| 135 | L | 95.1 | Very high | 96.1 | Very high | 23 Ų | 23 | 52 Ų | 52 | 12% | 0.12 | 24% | 0.238 | C | C | . | . | trans | -75.7 | 108.1 | 169.5 | -177.4 | 60.5 | 0 | 0 | 0 | 109.5 | I42 T125 I128 V129 Q133 H139 W140 | I42-L135 HydrophobicContact CD1-CD2 4.28Å; I42-L135 HydrophobicContact CG1-CD2 4.11Å; I42-L135 HydrophobicContact CG2-CD2 3.62Å; T125-L135 HydrophobicContact CG2-CD1 3.84Å; T125-L135 HydrophobicContact CG2-CD2 3.96Å; I128-L135 HydrophobicContact CD1-CD1 4.4Å; I128-L135 HydrophobicContact CG2-CB 3.86Å; I128-L135 HydrophobicContact CG2-CD1 4.06Å; V129-L135 HydrophobicContact CG2-CD2 4.33Å; Q133-L135 PolarHBondContact O-N 3.16Å; L135-H139 HydrophobicContact CD1-CB 4.38Å; L135-W140 HydrophobicContact CD1-CB 4.3Å; L135-W140 HydrophobicContact CD2-CB 4.47Å | ||
| 136 | I | 95.7 | Very high | 96.1 | Very high | 56 Ų | 56 | 52.5 Ų | 52.5 | 29% | 0.287 | 24% | 0.241 | S | C | . | . | trans | -86 | 154 | 179.3 | 61.2 | 172.9 | 0 | 0 | 0 | 111.5 | K134 L138 H139 W140 F248 | K134-I136 HydrophobicContact CD-CG2 4.24Å; K134-I136 HydrophobicContact CG-CG2 4.2Å; K134-I136 PolarHBondContact O-N 3.44Å; I136-L138 HydrophobicContact CD1-CB 4.18Å; I136-L138 HydrophobicContact CG1-CB 4.47Å; I136-L138 PolarHBondContact O-N 2.98Å; I136-H139 HydrophobicContact CG1-CB 3.86Å; I136-H139 PolarHBondContact O-N 3.14Å; I136-W140 VanDerWaalsContact O-CD1 3.29Å; I136-F248 HydrophobicContact CD1-CD2 4.14Å; I136-F248 HydrophobicContact CD1-CE2 4.17Å | ||
| 137 | F | 96.3 | Very high | 96.2 | Very high | 102 Ų | 102 | 49.3 Ų | 49.3 | 45% | 0.447 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -53.9 | -51.2 | 178.9 | 175.7 | -105.7 | 0 | 0 | 0 | 112.5 | H139 W140 Y141 L244 | F137-H139 PolarHBondContact O-N 3.33Å; F137-H139 VanDerWaalsContact O-N 3.13Å; F137-W140 AromaticContact CD2-CE2 3.68Å; F137-W140 HydrophobicContact CD2-CH2 4.12Å; F137-W140 AromaticContact CD2-CZ2 3.33Å; F137-W140 HydrophobicContact CD2-CZ2 3.33Å; F137-W140 AromaticContact CD2-NE1 3.86Å; F137-W140 AromaticContact CE2-CH2 3.76Å; F137-W140 HydrophobicContact CE2-CH2 3.76Å; F137-W140 AromaticContact CE2-CZ2 3.45Å; F137-W140 HydrophobicContact CE2-CZ2 3.45Å; F137-W140 VanDerWaalsContact CE2-CZ2 3.45Å; F137-W140 PolarHBondContact O-N 3.41Å; F137-Y141 HydrophobicContact CE1-CD1 4.36Å; F137-Y141 HydrophobicContact CE1-CG 4.11Å; F137-Y141 HydrophobicContact CE2-CD2 4.43Å; F137-Y141 HydrophobicContact CE2-CG 4.41Å; F137-Y141 HydrophobicContact CZ-CD1 4.47Å; F137-Y141 AromaticContact CZ-CD2 3.89Å; F137-Y141 HydrophobicContact CZ-CD2 3.89Å; F137-Y141 AromaticContact CZ-CG 3.84Å; F137-Y141 HydrophobicContact CZ-CG 3.84Å; F137-Y141 WeakPolarHBondContact O-CB 3.44Å; F137-Y141 PolarHBondContact O-N 2.9Å; F137-L244 HydrophobicContact CD1-CD1 4.35Å; F137-L244 HydrophobicContact CD1-CD2 3.94Å; F137-L244 HydrophobicContact CE1-CD1 3.98Å; F137-L244 HydrophobicContact CE1-CD2 4Å |
| 138 | L | 96.4 | Very high | 96.3 | Very high | 16 Ų | 16 | 50 Ų | 50 | 8% | 0.084 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -49.1 | -43.2 | 179.8 | 172.8 | 57.9 | 0 | 0 | 0 | 112.7 | I136 H142 L244 F245 F248 | I136-L138 HydrophobicContact CD1-CB 4.18Å; I136-L138 HydrophobicContact CG1-CB 4.47Å; I136-L138 PolarHBondContact O-N 2.98Å; L138-H142 WeakPolarHBondContact O-CB 3.42Å; L138-H142 PolarHBondContact O-N 3.47Å; L138-L244 HydrophobicContact CD1-CB 3.46Å; L138-L244 VanDerWaalsContact CD1-CB 3.46Å; L138-L244 HydrophobicContact CD1-CD1 4.01Å; L138-L244 HydrophobicContact CD1-CG 4.36Å; L138-L244 HydrophobicContact CG-CB 4.35Å; L138-F245 HydrophobicContact CD1-CD2 4.08Å; L138-F245 HydrophobicContact CD1-CE2 3.97Å; L138-F245 HydrophobicContact CD1-CZ 4.39Å; L138-F245 HydrophobicContact CD2-CD1 3.96Å; L138-F245 HydrophobicContact CD2-CD2 4.44Å; L138-F245 HydrophobicContact CD2-CE1 3.97Å; L138-F245 HydrophobicContact CD2-CE2 4.46Å; L138-F245 HydrophobicContact CD2-CG 4.19Å; L138-F245 HydrophobicContact CD2-CZ 4.24Å; L138-F248 HydrophobicContact CD2-CB 3.88Å; L138-F248 HydrophobicContact CD2-CG 4.19Å |
| 139 | H | 97 | Very high | 96.4 | Very high | 36 Ų | 36 | 49.3 Ų | 49.3 | 17% | 0.167 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -66.6 | -57.4 | -176.7 | 179.7 | 87.3 | 0 | 0 | 0 | 111.6 | T125 I128 L135 I136 F137 Y141 H142 H143 | T125-H139 PolarHBondContact OG1-CD2 2.96Å; T125-H139 PolarHBondContact OG1-NE2 2.89Å; I128-H139 WeakPolarHBondContact CD1-NE2 3.44Å; L135-H139 HydrophobicContact CD1-CB 4.38Å; I136-H139 HydrophobicContact CG1-CB 3.86Å; I136-H139 PolarHBondContact O-N 3.14Å; F137-H139 PolarHBondContact O-N 3.33Å; F137-H139 VanDerWaalsContact O-N 3.13Å; H139-Y141 VanDerWaalsContact C-N 3.35Å; H139-Y141 PolarHBondContact O-N 2.91Å; H139-H142 PolarHBondContact O-N 2.87Å; H139-H143 AromaticContact CD2-CD2 3.77Å; H139-H143 AromaticContact CE1-CD2 3.31Å; H139-H143 PolarHBondContact CE1-CD2 3.45Å; H139-H143 AromaticContact CE1-NE2 3.08Å; H139-H143 PolarHBondContact CE1-NE2 2.88Å; H139-H143 AromaticContact CG-CD2 3.89Å; H139-H143 AromaticContact ND1-CD2 3.6Å; H139-H143 AromaticContact ND1-NE2 3.53Å; H139-H143 AromaticContact NE2-CD2 3.46Å; H139-H143 PolarHBondContact NE2-CD2 3.38Å; H139-H143 AromaticContact NE2-NE2 3.66Å; H139-H143 PolarHBondContact O-CD2 2.94Å; H139-H143 PolarHBondContact O-N 3.34Å |
| 140 | W | 96.8 | Very high | 96.4 | Very high | 82 Ų | 82 | 49.3 Ų | 49.3 | 31% | 0.311 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -71.9 | -33.5 | -173.6 | 71 | -100 | 0 | 0 | 0 | 112.6 | Y38 I42 L135 I136 F137 M144 | Y38-W140 HydrophobicContact CE1-CB 4.26Å; Y38-W140 VanDerWaalsContact OH-CA 3.28Å; Y38-W140 WeakPolarHBondContact OH-CA 3.39Å; Y38-W140 WeakPolarHBondContact OH-CB 3.48Å; I42-W140 HydrophobicContact CD1-CB 3.73Å; I42-W140 HydrophobicContact CD1-CG 4.34Å; L135-W140 HydrophobicContact CD1-CB 4.3Å; L135-W140 HydrophobicContact CD2-CB 4.47Å; I136-W140 VanDerWaalsContact O-CD1 3.29Å; F137-W140 AromaticContact CD2-CE2 3.68Å; F137-W140 HydrophobicContact CD2-CH2 4.12Å; F137-W140 AromaticContact CD2-CZ2 3.33Å; F137-W140 HydrophobicContact CD2-CZ2 3.33Å; F137-W140 AromaticContact CD2-NE1 3.86Å; F137-W140 AromaticContact CE2-CH2 3.76Å; F137-W140 HydrophobicContact CE2-CH2 3.76Å; F137-W140 AromaticContact CE2-CZ2 3.45Å; F137-W140 HydrophobicContact CE2-CZ2 3.45Å; F137-W140 VanDerWaalsContact CE2-CZ2 3.45Å; F137-W140 PolarHBondContact O-N 3.41Å; W140-M144 HydrophobicContact CZ3-CE 3.96Å; W140-M144 WeakPolarHBondContact O-CB 3.48Å; W140-M144 PolarHBondContact O-N 3.16Å |
| 141 | Y | 97.8 | Very high | 96.4 | Very high | 56 Ų | 56 | 47.5 Ų | 47.5 | 22% | 0.22 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -59.1 | -55 | 172.7 | 173.2 | -107.3 | 0 | 0 | 0 | 109.6 | F137 H139 H143 M144 T145 S240 Y241 L244 | F137-Y141 HydrophobicContact CE1-CD1 4.36Å; F137-Y141 HydrophobicContact CE1-CG 4.11Å; F137-Y141 HydrophobicContact CE2-CD2 4.43Å; F137-Y141 HydrophobicContact CE2-CG 4.41Å; F137-Y141 HydrophobicContact CZ-CD1 4.47Å; F137-Y141 AromaticContact CZ-CD2 3.89Å; F137-Y141 HydrophobicContact CZ-CD2 3.89Å; F137-Y141 AromaticContact CZ-CG 3.84Å; F137-Y141 HydrophobicContact CZ-CG 3.84Å; F137-Y141 WeakPolarHBondContact O-CB 3.44Å; F137-Y141 PolarHBondContact O-N 2.9Å; H139-Y141 VanDerWaalsContact C-N 3.35Å; H139-Y141 PolarHBondContact O-N 2.91Å; Y141-H143 PolarHBondContact O-N 3.25Å; Y141-M144 PolarHBondContact O-N 3.16Å; Y141-T145 HydrophobicContact CD2-CG2 4.14Å; Y141-T145 HydrophobicContact CE2-CG2 3.75Å; Y141-T145 PolarHBondContact O-N 2.97Å; Y141-T145 PolarHBondContact O-OG1 3.37Å; Y141-S240 PolarHBondContact OH-OG 2.92Å; Y141-Y241 HydrophobicContact CD1-CD1 4.26Å; Y141-Y241 AromaticContact CD1-CE1 3.94Å; Y141-Y241 HydrophobicContact CD1-CE1 3.94Å; Y141-Y241 AromaticContact CE1-CD1 3.89Å; Y141-Y241 HydrophobicContact CE1-CD1 3.89Å; Y141-Y241 AromaticContact CE1-CE1 3.64Å; Y141-Y241 HydrophobicContact CE1-CE1 3.64Å; Y141-L244 HydrophobicContact CD1-CD1 3.62Å; Y141-L244 HydrophobicContact CE1-CD1 3.81Å |
| 142 | H | 97.6 | Very high | 96.5 | Very high | 20 Ų | 20 | 46.9 Ų | 46.9 | 9% | 0.093 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -54.7 | -52.1 | -180 | 175.4 | 82.9 | 0 | 0 | 0 | 113.2 | L138 H139 M144 T145 V146 Y241 | L138-H142 WeakPolarHBondContact O-CB 3.42Å; L138-H142 PolarHBondContact O-N 3.47Å; H139-H142 PolarHBondContact O-N 2.87Å; H142-M144 VanDerWaalsContact C-N 3.29Å; H142-M144 PolarHBondContact O-N 3.36Å; H142-T145 PolarHBondContact O-N 3.35Å; H142-T145 PolarHBondContact O-OG1 3.19Å; H142-V146 WeakPolarHBondContact O-CB 3.27Å; H142-V146 VanDerWaalsContact O-CG1 3.25Å; H142-V146 WeakPolarHBondContact O-CG1 3.48Å; H142-V146 PolarHBondContact O-N 3.23Å; H142-Y241 HydrophobicContact CB-CE1 4.15Å; H142-Y241 AromaticContact CE1-CD2 3.99Å; H142-Y241 AromaticContact CE1-CE2 3.61Å; H142-Y241 AromaticContact ND1-CD2 3.53Å; H142-Y241 AromaticContact ND1-CE1 3.77Å; H142-Y241 AromaticContact ND1-CE2 3.17Å; H142-Y241 WeakPolarHBondContact ND1-CE2 3.47Å; H142-Y241 AromaticContact ND1-CG 3.96Å; H142-Y241 AromaticContact ND1-CZ 3.31Å; H142-Y241 VanDerWaalsContact ND1-CZ 3.31Å; H142-Y241 PolarHBondContact O-OH 3.49Å |
| 143 | H | 97.7 | Very high | 96.5 | Very high | 10 Ų | 10 | 42.7 Ų | 42.7 | 5% | 0.046 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -61.4 | -37.4 | -178.2 | -84.1 | -74.5 | 0 | 0 | 0 | 112.7 | L122 D124 H139 Y141 L147 | L122-H143 HydrophobicContact CD2-CB 3.94Å; D124-H143 IonicContact OD2-CE1 3.72Å; D124-H143 IonicContact OD2-NE2 3.37Å; H139-H143 AromaticContact CD2-CD2 3.77Å; H139-H143 AromaticContact CE1-CD2 3.31Å; H139-H143 PolarHBondContact CE1-CD2 3.45Å; H139-H143 AromaticContact CE1-NE2 3.08Å; H139-H143 PolarHBondContact CE1-NE2 2.88Å; H139-H143 AromaticContact CG-CD2 3.89Å; H139-H143 AromaticContact ND1-CD2 3.6Å; H139-H143 AromaticContact ND1-NE2 3.53Å; H139-H143 AromaticContact NE2-CD2 3.46Å; H139-H143 PolarHBondContact NE2-CD2 3.38Å; H139-H143 AromaticContact NE2-NE2 3.66Å; H139-H143 PolarHBondContact O-CD2 2.94Å; H139-H143 PolarHBondContact O-N 3.34Å; Y141-H143 PolarHBondContact O-N 3.25Å; H143-L147 WeakPolarHBondContact O-CB 3.27Å; H143-L147 PolarHBondContact O-N 3.42Å |
| 144 | M | 97.5 | Very high | 96.5 | Very high | 44 Ų | 44 | 37.9 Ų | 37.9 | 22% | 0.217 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -70 | -49.6 | 177.3 | -171.5 | 177 | 69.4 | 0 | 0 | 111.3 | Y38 W140 Y141 H142 L147 L148 | Y38-M144 HydrophobicContact CD1-CB 4.3Å; Y38-M144 HydrophobicContact CE1-CB 4.18Å; W140-M144 HydrophobicContact CZ3-CE 3.96Å; W140-M144 WeakPolarHBondContact O-CB 3.48Å; W140-M144 PolarHBondContact O-N 3.16Å; Y141-M144 PolarHBondContact O-N 3.16Å; H142-M144 VanDerWaalsContact C-N 3.29Å; H142-M144 PolarHBondContact O-N 3.36Å; M144-L147 PolarHBondContact O-N 3.02Å; M144-L148 HydrophobicContact CG-CD1 4.45Å; M144-L148 WeakPolarHBondContact O-CG 3.42Å; M144-L148 PolarHBondContact O-N 3.13Å |
| 145 | T | 97.7 | Very high | 96.4 | Very high | 27 Ų | 27 | 30.9 Ų | 30.9 | 17% | 0.166 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -72.8 | -34.3 | -175.2 | 44.6 | 0 | 0 | 0 | 0 | 113 | Y141 H142 L147 L148 Y149 Y241 | Y141-T145 HydrophobicContact CD2-CG2 4.14Å; Y141-T145 HydrophobicContact CE2-CG2 3.75Å; Y141-T145 PolarHBondContact O-N 2.97Å; Y141-T145 PolarHBondContact O-OG1 3.37Å; H142-T145 PolarHBondContact O-N 3.35Å; H142-T145 PolarHBondContact O-OG1 3.19Å; T145-L147 VanDerWaalsContact C-N 3.35Å; T145-L148 PolarHBondContact O-N 2.66Å; T145-Y149 VanDerWaalsContact O-CB 3.27Å; T145-Y149 WeakPolarHBondContact O-CB 3.45Å; T145-Y149 PolarHBondContact O-N 3.34Å; T145-Y241 WeakPolarHBondContact CB-OH 3.36Å; T145-Y241 WeakPolarHBondContact OG1-CE1 3.38Å; T145-Y241 PolarHBondContact OG1-OH 3.45Å |
| 146 | V | 97.2 | Very high | 96.2 | Very high | 11 Ų | 11 | 31.4 Ų | 31.4 | 7% | 0.067 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -69.1 | -33.9 | 176 | 78.4 | 0 | 0 | 0 | 0 | 111.9 | K118 H142 S150 Y241 | K118-V146 HydrophobicContact CD-CG1 4.3Å; H142-V146 WeakPolarHBondContact O-CB 3.27Å; H142-V146 VanDerWaalsContact O-CG1 3.25Å; H142-V146 WeakPolarHBondContact O-CG1 3.48Å; H142-V146 PolarHBondContact O-N 3.23Å; V146-S150 WeakPolarHBondContact O-CB 3.45Å; V146-S150 PolarHBondContact O-N 3.45Å; V146-S150 PolarHBondContact O-OG 2.91Å; V146-Y241 PolarHBondContact N-OH 3.14Å; V146-Y241 VanDerWaalsContact N-OH 3.16Å |
| 147 | L | 97.7 | Very high | 96.1 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -63.2 | -51.8 | 173.3 | 173.2 | 62.4 | 0 | 0 | 0 | 110.9 | F34 K118 A119 L122 H143 M144 T145 Y149 S150 W151 | F34-L147 HydrophobicContact CB-CD2 3.84Å; K118-L147 HydrophobicContact CB-CB 4.23Å; K118-L147 HydrophobicContact CB-CD1 3.81Å; A119-L147 HydrophobicContact CB-CD1 4.15Å; L122-L147 HydrophobicContact CD1-CD2 3.8Å; L122-L147 HydrophobicContact CD2-CD2 4.36Å; L122-L147 HydrophobicContact CG-CD2 4.36Å; H143-L147 WeakPolarHBondContact O-CB 3.27Å; H143-L147 PolarHBondContact O-N 3.42Å; M144-L147 PolarHBondContact O-N 3.02Å; T145-L147 VanDerWaalsContact C-N 3.35Å; L147-Y149 PolarHBondContact O-N 2.84Å; L147-S150 PolarHBondContact O-OG 2.75Å; L147-W151 HydrophobicContact CD1-CG 4.41Å; L147-W151 PolarHBondContact O-N 2.98Å |
| 148 | L | 97.7 | Very high | 95.9 | Very high | 39 Ų | 39 | 26 Ų | 26 | 20% | 0.204 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -59.1 | -49.4 | 178.3 | -68 | 171.8 | 0 | 0 | 0 | 111.6 | F32 S35 M144 T145 Y152 | F32-L148 HydrophobicContact CD1-CD2 3.61Å; F32-L148 HydrophobicContact CE1-CD2 3.86Å; F32-L148 HydrophobicContact CG-CD2 4.04Å; F32-L148 HydrophobicContact CZ-CD2 4.5Å; S35-L148 WeakPolarHBondContact OG-CD2 3.29Å; S35-L148 WeakPolarHBondContact OG-CG 3.37Å; M144-L148 HydrophobicContact CG-CD1 4.45Å; M144-L148 WeakPolarHBondContact O-CG 3.42Å; M144-L148 PolarHBondContact O-N 3.13Å; T145-L148 PolarHBondContact O-N 2.66Å; L148-Y152 VanDerWaalsContact O-CB 3.31Å; L148-Y152 WeakPolarHBondContact O-CB 3.4Å; L148-Y152 PolarHBondContact O-N 3.4Å |
| 149 | Y | 97.3 | Very high | 95.8 | Very high | 24 Ų | 24 | 25.4 Ų | 25.4 | 9% | 0.094 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -66.8 | -45.7 | -176.1 | 176.7 | -103.7 | 0 | 0 | 0 | 112.4 | T145 L147 W151 Y152 S153 W233 S234 M237 | T145-Y149 VanDerWaalsContact O-CB 3.27Å; T145-Y149 WeakPolarHBondContact O-CB 3.45Å; T145-Y149 PolarHBondContact O-N 3.34Å; L147-Y149 PolarHBondContact O-N 2.84Å; Y149-W151 VanDerWaalsContact C-N 3.33Å; Y149-W151 PolarHBondContact O-N 3.41Å; Y149-Y152 PolarHBondContact O-N 2.62Å; Y149-S153 WeakPolarHBondContact O-CB 3.31Å; Y149-S153 PolarHBondContact O-N 3.37Å; Y149-S153 PolarHBondContact O-OG 2.95Å; Y149-W233 HydrophobicContact CD2-CB 4.38Å; Y149-W233 HydrophobicContact CE2-CB 4.48Å; Y149-S234 WeakPolarHBondContact OH-CB 3.44Å; Y149-S234 PolarHBondContact OH-OG 3.18Å; Y149-S234 VanDerWaalsContact OH-OG 3.12Å; Y149-M237 HydrophobicContact CD1-CE 3.38Å; Y149-M237 HydrophobicContact CD1-SD 3.76Å; Y149-M237 HydrophobicContact CE1-CE 3.77Å; Y149-M237 HydrophobicContact CG-CE 3.97Å; Y149-M237 HydrophobicContact CG-SD 3.81Å |
| 150 | S | 96.8 | Very high | 95.6 | Very high | 6 Ų | 6 | 23.8 Ų | 23.8 | 4% | 0.042 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -62.9 | -38.3 | -179.1 | 57.4 | 0 | 0 | 0 | 0 | 112.8 | K118 V146 L147 S153 Y154 | K118-S150 WeakPolarHBondContact CG-OG 3.13Å; V146-S150 WeakPolarHBondContact O-CB 3.45Å; V146-S150 PolarHBondContact O-N 3.45Å; V146-S150 PolarHBondContact O-OG 2.91Å; L147-S150 PolarHBondContact O-OG 2.75Å; S150-S153 PolarHBondContact O-OG 2.87Å; S150-Y154 VanDerWaalsContact O-CB 3.29Å; S150-Y154 WeakPolarHBondContact O-CB 3.47Å; S150-Y154 PolarHBondContact O-N 3.33Å; S150-Y154 VanDerWaalsContact O-N 3.12Å |
| 151 | W | 96.9 | Very high | 95.5 | Very high | 5 Ų | 5 | 20.1 Ų | 20.1 | 2% | 0.019 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -70.4 | -40.5 | 176.8 | -76.9 | 47.1 | 0 | 0 | 0 | 111.5 | W23 M24 W28 K30 F34 V115 L116 L147 Y149 | W23-W151 AromaticContact CH2-CH2 3.71Å; W23-W151 HydrophobicContact CH2-CH2 3.71Å; W23-W151 AromaticContact CH2-CZ3 3.98Å; W23-W151 HydrophobicContact CH2-CZ3 3.98Å; W23-W151 AromaticContact CZ3-CH2 3.93Å; W23-W151 HydrophobicContact CZ3-CH2 3.93Å; W23-W151 HydrophobicContact CZ3-CZ3 4.02Å; M24-W151 HydrophobicContact CE-CB 4Å; M24-W151 HydrophobicContact CE-CD2 3.96Å; M24-W151 HydrophobicContact CE-CE3 4.2Å; M24-W151 HydrophobicContact CE-CG 3.92Å; W28-W151 HydrophobicContact CB-CB 4.35Å; W28-W151 WeakPolarHBondContact CB-O 3.31Å; K30-W151 HydrophobicContact CB-CZ3 3.97Å; F34-W151 HydrophobicContact CD2-CH2 4.34Å; F34-W151 HydrophobicContact CD2-CZ2 4.49Å; F34-W151 AromaticContact CE2-CH2 3.66Å; F34-W151 HydrophobicContact CE2-CH2 3.66Å; F34-W151 HydrophobicContact CE2-CZ2 4.08Å; F34-W151 HydrophobicContact CE2-CZ3 4.27Å; V115-W151 HydrophobicContact CG1-CB 4.44Å; V115-W151 HydrophobicContact CG1-CG 3.9Å; V115-W151 PolarHBondContact O-NE1 3.46Å; L116-W151 HydrophobicContact CD2-CH2 4.31Å; L116-W151 HydrophobicContact CD2-CZ2 3.91Å; L147-W151 HydrophobicContact CD1-CG 4.41Å; L147-W151 PolarHBondContact O-N 2.98Å; Y149-W151 VanDerWaalsContact C-N 3.33Å; Y149-W151 PolarHBondContact O-N 3.41Å |
| 152 | Y | 95.9 | Very high | 95.4 | Very high | 40 Ų | 40 | 17.7 Ų | 17.7 | 16% | 0.157 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -66.3 | -41.3 | 176.5 | 172.8 | -110 | 0 | 0 | 0 | 112.7 | W28 L148 Y149 K155 N230 | W28-Y152 HydrophobicContact CE3-CD2 4.1Å; W28-Y152 HydrophobicContact CH2-CD2 4.08Å; W28-Y152 AromaticContact CZ3-CD2 3.79Å; W28-Y152 HydrophobicContact CZ3-CD2 3.79Å; L148-Y152 VanDerWaalsContact O-CB 3.31Å; L148-Y152 WeakPolarHBondContact O-CB 3.4Å; L148-Y152 PolarHBondContact O-N 3.4Å; Y149-Y152 PolarHBondContact O-N 2.62Å; Y152-K155 HydrophobicContact CD2-CD 4.42Å; Y152-K155 WeakPolarHBondContact O-CD 3.38Å; Y152-K155 VanDerWaalsContact O-CG 3.26Å; Y152-K155 WeakPolarHBondContact O-CG 3.49Å; Y152-N230 VanDerWaalsContact CD1-OD1 3.28Å; Y152-N230 WeakPolarHBondContact CD1-OD1 3.46Å; Y152-N230 HydrophobicContact CE1-CB 4.47Å; Y152-N230 VanDerWaalsContact CE1-CG 3.45Å; Y152-N230 WeakPolarHBondContact CE1-OD1 3.44Å |
| 153 | S | 94.8 | Very high | 95.4 | Very high | 13 Ų | 13 | 19.7 Ų | 19.7 | 9% | 0.091 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -79.3 | -34.8 | -174.4 | 66.3 | 0 | 0 | 0 | 0 | 113.3 | Y149 S150 K155 D156 M157 V158 | Y149-S153 WeakPolarHBondContact O-CB 3.31Å; Y149-S153 PolarHBondContact O-N 3.37Å; Y149-S153 PolarHBondContact O-OG 2.95Å; S150-S153 PolarHBondContact O-OG 2.87Å; S153-K155 VanDerWaalsContact C-N 3.3Å; S153-K155 PolarHBondContact O-N 2.87Å; S153-D156 PolarHBondContact O-N 2.91Å; S153-M157 PolarHBondContact O-N 2.8Å; S153-V158 PolarHBondContact O-N 3.41Å |
| 154 | Y | 94.4 | Very high | 95.3 | Very high | 1 Ų | 1 | 19.8 Ų | 19.8 | 0% | 0.004 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -64.1 | -34.9 | 178.7 | -174.1 | -81.4 | 0 | 0 | 0 | 112.6 | I21 M24 Y102 A111 Y112 V115 S150 D156 M157 | I21-Y154 HydrophobicContact CG1-CE1 4.28Å; M24-Y154 HydrophobicContact CB-CD1 3.67Å; M24-Y154 HydrophobicContact CB-CE1 4.04Å; M24-Y154 HydrophobicContact CE-CD1 4.44Å; M24-Y154 HydrophobicContact CG-CD1 3.46Å; M24-Y154 VanDerWaalsContact CG-CD1 3.46Å; M24-Y154 HydrophobicContact CG-CE1 3.61Å; M24-Y154 HydrophobicContact CG-CG 4.46Å; Y102-Y154 AromaticContact CD1-CD2 3.78Å; Y102-Y154 HydrophobicContact CD1-CD2 3.78Å; Y102-Y154 AromaticContact CD1-CE2 3.59Å; Y102-Y154 HydrophobicContact CD1-CE2 3.59Å; Y102-Y154 AromaticContact CE1-CD2 3.58Å; Y102-Y154 HydrophobicContact CE1-CD2 3.58Å; Y102-Y154 AromaticContact CE1-CE2 3.9Å; Y102-Y154 HydrophobicContact CE1-CE2 3.9Å; Y102-Y154 HydrophobicContact CE1-CG 4.29Å; A111-Y154 HydrophobicContact CB-CE2 3.88Å; A111-Y154 WeakPolarHBondContact O-CE2 3.41Å; Y112-Y154 HydrophobicContact CD2-CE1 4.25Å; V115-Y154 HydrophobicContact CB-CD2 4.39Å; V115-Y154 HydrophobicContact CG2-CD2 3.46Å; V115-Y154 VanDerWaalsContact CG2-CD2 3.46Å; V115-Y154 HydrophobicContact CG2-CE2 4.31Å; V115-Y154 HydrophobicContact CG2-CG 3.82Å; S150-Y154 VanDerWaalsContact O-CB 3.29Å; S150-Y154 WeakPolarHBondContact O-CB 3.47Å; S150-Y154 PolarHBondContact O-N 3.33Å; S150-Y154 VanDerWaalsContact O-N 3.12Å; Y154-D156 PolarHBondContact O-N 3.03Å; Y154-D156 VanDerWaalsContact O-N 3.12Å; Y154-M157 PolarHBondContact O-N 3.42Å |
| 155 | K | 91 | Very high | 95.3 | Very high | 37 Ų | 37 | 18.1 Ų | 18.1 | 16% | 0.161 | 9% | 0.09 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | -31.3 | 179.4 | 93.4 | -171.3 | 169.1 | 61.6 | 0 | 112.7 | Q25 W28 Y152 S153 | Q25-K155 HydrophobicContact CG-CB 4.13Å; Q25-K155 WeakPolarHBondContact CG-O 3.24Å; Q25-K155 PolarHBondContact NE2-O 2.83Å; W28-K155 HydrophobicContact CD2-CD 4.03Å; W28-K155 HydrophobicContact CG-CD 3.83Å; Y152-K155 HydrophobicContact CD2-CD 4.42Å; Y152-K155 WeakPolarHBondContact O-CD 3.38Å; Y152-K155 VanDerWaalsContact O-CG 3.26Å; Y152-K155 WeakPolarHBondContact O-CG 3.49Å; S153-K155 VanDerWaalsContact C-N 3.3Å; S153-K155 PolarHBondContact O-N 2.87Å |
| 156 | D | 90.3 | Very high | 95.3 | Very high | 34 Ų | 34 | 17.7 Ų | 17.7 | 18% | 0.182 | 9% | 0.088 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.4 | 0 | -177.6 | -66.3 | -26.1 | 0 | 0 | 0 | 111.9 | Q99 S153 Y154 V158 H227 N230 | Q99-D156 PolarHBondContact NE2-O 3.47Å; S153-D156 PolarHBondContact O-N 2.91Å; Y154-D156 PolarHBondContact O-N 3.03Å; Y154-D156 VanDerWaalsContact O-N 3.12Å; D156-V158 HydrophobicContact CB-CG1 3.78Å; D156-V158 PolarHBondContact O-N 3.03Å; D156-V158 VanDerWaalsContact O-N 3.17Å; D156-H227 IonicContact OD2-CD2 3.46Å; D156-N230 PolarHBondContact OD2-ND2 3.34Å; D156-N230 VanDerWaalsContact OD2-ND2 3.12Å |
| 157 | M | 93 | Very high | 95.3 | Very high | 43 Ų | 43 | 18.2 Ų | 18.2 | 21% | 0.212 | 9% | 0.09 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 47.7 | 43.9 | -177.3 | -62.9 | -179.6 | -71.5 | 0 | 0 | 112.4 | I21 Q99 Y102 S153 Y154 | I21-M157 HydrophobicContact CD1-SD 3.51Å; I21-M157 VanDerWaalsContact CD1-SD 3.51Å; I21-M157 HydrophobicContact CG1-SD 4.07Å; I21-M157 HydrophobicContact CG2-SD 4.42Å; Q99-M157 WeakPolarHBondContact CG-O 3.34Å; Q99-M157 PolarHBondContact NE2-O 3.17Å; Y102-M157 HydrophobicContact CD1-CB 4.4Å; Y102-M157 HydrophobicContact CD1-CG 4.16Å; Y102-M157 HydrophobicContact CD2-CB 3.64Å; Y102-M157 HydrophobicContact CD2-CG 4.11Å; Y102-M157 HydrophobicContact CE2-CB 3.86Å; Y102-M157 VanDerWaalsContact CE2-O 3.31Å; Y102-M157 WeakPolarHBondContact CE2-O 3.22Å; Y102-M157 HydrophobicContact CG-CB 3.92Å; Y102-M157 HydrophobicContact CG-CG 3.85Å; Y102-M157 HydrophobicContact CG-SD 4.42Å; S153-M157 PolarHBondContact O-N 2.8Å; Y154-M157 PolarHBondContact O-N 3.42Å |
| 158 | V | 93.2 | Very high | 95.3 | Very high | 2 Ų | 2 | 18.5 Ų | 18.5 | 1% | 0.012 | 9% | 0.091 | C | C | . | . | trans | -59.3 | 142.6 | -167.9 | -61.2 | 0 | 0 | 0 | 0 | 113 | Y102 S153 D156 G161 N230 | Y102-V158 PolarHBondContact OH-O 3.41Å; Y102-V158 VanDerWaalsContact OH-O 3.06Å; S153-V158 PolarHBondContact O-N 3.41Å; D156-V158 HydrophobicContact CB-CG1 3.78Å; D156-V158 PolarHBondContact O-N 3.03Å; D156-V158 VanDerWaalsContact O-N 3.17Å; V158-G161 PolarHBondContact O-N 3.24Å; V158-N230 HydrophobicContact CG1-CB 3.93Å | ||
| 159 | A | 93.3 | Very high | 95.3 | Very high | 4 Ų | 4 | 16.8 Ų | 16.8 | 3% | 0.033 | 8% | 0.082 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.5 | 146.6 | 167.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | G161 V214 P225 | A159-G161 PolarHBondContact O-N 3.02Å; A159-V214 HydrophobicContact CB-CG1 4.04Å; A159-V214 HydrophobicContact CB-CG2 4.14Å; A159-P225 WeakPolarHBondContact CB-O 3.49Å; A159-P225 PolarHBondContact N-O 2.83Å; A159-P225 VanDerWaalsContact N-O 3.08Å |
| 160 | G | 93.8 | Very high | 95.4 | Very high | 2 Ų | 2 | 20.6 Ų | 20.6 | 2% | 0.021 | 10% | 0.103 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 84.6 | -15 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | V96 G162 W163 F164 | V96-G160 WeakPolarHBondContact O-CA 3.46Å; V96-G160 PolarHBondContact O-N 3.15Å; G160-G162 VanDerWaalsContact C-N 3.32Å; G160-G162 PolarHBondContact O-N 3.42Å; G160-W163 WeakPolarHBondContact O-CB 3.5Å; G160-W163 PolarHBondContact O-N 3.04Å; G160-W163 VanDerWaalsContact O-N 3.11Å; G160-F164 VanDerWaalsContact O-CD2 3.26Å; G160-F164 WeakPolarHBondContact O-CD2 3.38Å; G160-F164 WeakPolarHBondContact O-CG 3.38Å; G160-F164 PolarHBondContact O-N 3.3Å |
| 161 | G | 94.5 | Very high | 95.5 | Very high | 4 Ų | 4 | 20.8 Ų | 20.8 | 4% | 0.041 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -52 | -45.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y102 V158 A159 W163 F164 M165 | Y102-G161 WeakPolarHBondContact OH-CA 3.46Å; V158-G161 PolarHBondContact O-N 3.24Å; A159-G161 PolarHBondContact O-N 3.02Å; G161-W163 VanDerWaalsContact C-N 3.32Å; G161-W163 PolarHBondContact O-N 2.91Å; G161-F164 PolarHBondContact O-N 3.01Å; G161-F164 VanDerWaalsContact O-N 3.14Å; G161-M165 WeakPolarHBondContact O-CB 3.44Å; G161-M165 VanDerWaalsContact O-CE 3.23Å; G161-M165 WeakPolarHBondContact O-CE 3.21Å; G161-M165 VanDerWaalsContact O-CG 3.31Å; G161-M165 WeakPolarHBondContact O-CG 3.29Å; G161-M165 PolarHBondContact O-N 3.39Å |
| 162 | G | 95.4 | Very high | 95.5 | Very high | 6 Ų | 6 | 21 Ų | 21 | 6% | 0.062 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -58.5 | -40.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | F101 G160 T166 | F101-G162 VanDerWaalsContact CD2-CA 3.5Å; F101-G162 VanDerWaalsContact CG-CA 3.45Å; G160-G162 VanDerWaalsContact C-N 3.32Å; G160-G162 PolarHBondContact O-N 3.42Å; G162-T166 WeakPolarHBondContact O-CB 3.34Å; G162-T166 PolarHBondContact O-N 3.36Å; G162-T166 PolarHBondContact O-OG1 2.92Å |
| 163 | W | 96.7 | Very high | 95.6 | Very high | 62 Ų | 62 | 19.4 Ų | 19.4 | 24% | 0.235 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -66 | -48.6 | 173 | -80.5 | 97.2 | 0 | 0 | 0 | 111.5 | M83 L87 L92 S95 G160 G161 M165 T166 M167 V210 | M83-W163 HydrophobicContact CE-CD2 3.91Å; M83-W163 HydrophobicContact CE-CG 3.73Å; M83-W163 HydrophobicContact CE-CZ2 4.47Å; L87-W163 HydrophobicContact CD1-CZ2 4.38Å; L87-W163 HydrophobicContact CD2-CH2 4.05Å; L87-W163 HydrophobicContact CD2-CZ2 4.13Å; L92-W163 HydrophobicContact CD1-CZ2 4.16Å; S95-W163 PolarHBondContact O-NE1 3.41Å; S95-W163 PolarHBondContact OG-NE1 3.34Å; S95-W163 VanDerWaalsContact OG-NE1 3.09Å; G160-W163 WeakPolarHBondContact O-CB 3.5Å; G160-W163 PolarHBondContact O-N 3.04Å; G160-W163 VanDerWaalsContact O-N 3.11Å; G161-W163 VanDerWaalsContact C-N 3.32Å; G161-W163 PolarHBondContact O-N 2.91Å; W163-M165 PolarHBondContact O-N 3.39Å; W163-T166 PolarHBondContact O-N 2.66Å; W163-M167 WeakPolarHBondContact O-CB 3.36Å; W163-M167 WeakPolarHBondContact O-CG 3.28Å; W163-M167 PolarHBondContact O-N 3.42Å; W163-V210 HydrophobicContact CB-CG1 4.37Å; W163-V210 HydrophobicContact CB-CG2 4.07Å; W163-V210 HydrophobicContact CG-CG2 4.23Å |
| 164 | F | 96.6 | Very high | 95.8 | Very high | 12 Ų | 12 | 20.8 Ų | 20.8 | 5% | 0.053 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -59.3 | -45 | -178.6 | -61.5 | -39 | 0 | 0 | 0 | 113 | G160 G161 M167 N168 V210 N211 Y238 | G160-F164 VanDerWaalsContact O-CD2 3.26Å; G160-F164 WeakPolarHBondContact O-CD2 3.38Å; G160-F164 WeakPolarHBondContact O-CG 3.38Å; G160-F164 PolarHBondContact O-N 3.3Å; G161-F164 PolarHBondContact O-N 3.01Å; G161-F164 VanDerWaalsContact O-N 3.14Å; F164-M167 HydrophobicContact CB-CE 4.45Å; F164-M167 HydrophobicContact CD1-CE 3.62Å; F164-M167 HydrophobicContact CE1-CE 4.44Å; F164-M167 WeakPolarHBondContact O-CG 3.39Å; F164-N168 VanDerWaalsContact O-CB 3.31Å; F164-N168 WeakPolarHBondContact O-CB 3.42Å; F164-N168 PolarHBondContact O-N 3.14Å; F164-V210 HydrophobicContact CD1-CG1 4.46Å; F164-V210 HydrophobicContact CE1-CB 3.83Å; F164-V210 HydrophobicContact CE1-CG1 3.72Å; F164-V210 HydrophobicContact CE2-CG1 4.4Å; F164-V210 HydrophobicContact CZ-CB 4.15Å; F164-V210 HydrophobicContact CZ-CG1 3.66Å; F164-N211 WeakPolarHBondContact CZ-OD1 3.23Å; F164-Y238 AromaticContact CD1-CE2 3.67Å; F164-Y238 HydrophobicContact CD1-CE2 3.67Å; F164-Y238 AromaticContact CD1-CZ 3.62Å; F164-Y238 VanDerWaalsContact CD1-OH 3.26Å; F164-Y238 WeakPolarHBondContact CD1-OH 3.42Å; F164-Y238 HydrophobicContact CE1-CD2 4.36Å; F164-Y238 AromaticContact CE1-CE2 3.68Å; F164-Y238 HydrophobicContact CE1-CE2 3.68Å; F164-Y238 HydrophobicContact CG-CE2 4.18Å; F164-Y238 HydrophobicContact CZ-CE2 4.23Å |
| 165 | M | 97.4 | Very high | 95.9 | Very high | 8 Ų | 8 | 21.5 Ų | 21.5 | 4% | 0.039 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -69 | -47.4 | 179.5 | -67.2 | -177.1 | -92.3 | 0 | 0 | 111.1 | F101 Y102 A111 F114 G161 W163 M167 N168 Y169 | F101-M165 HydrophobicContact CD1-CE 3.44Å; F101-M165 VanDerWaalsContact CD1-CE 3.44Å; F101-M165 HydrophobicContact CD1-SD 4.49Å; F101-M165 HydrophobicContact CE1-CB 4.25Å; F101-M165 HydrophobicContact CE1-CE 3.32Å; F101-M165 HydrophobicContact CE1-SD 3.84Å; F101-M165 HydrophobicContact CZ-CB 4.36Å; F101-M165 HydrophobicContact CZ-CE 4.44Å; Y102-M165 HydrophobicContact CD1-CE 4.32Å; Y102-M165 HydrophobicContact CE1-CE 3.56Å; A111-M165 HydrophobicContact CB-CE 4.19Å; A111-M165 HydrophobicContact CB-SD 3.95Å; F114-M165 HydrophobicContact CB-CG 4.48Å; F114-M165 HydrophobicContact CB-SD 4.29Å; F114-M165 HydrophobicContact CD1-CB 4.28Å; F114-M165 HydrophobicContact CD1-CG 3.53Å; F114-M165 HydrophobicContact CD1-SD 3.98Å; F114-M165 HydrophobicContact CD2-CB 4.18Å; F114-M165 HydrophobicContact CD2-CG 4.31Å; F114-M165 HydrophobicContact CE1-CB 4.44Å; F114-M165 HydrophobicContact CE1-CG 3.72Å; F114-M165 HydrophobicContact CE2-CB 4.32Å; F114-M165 HydrophobicContact CE2-CG 4.46Å; F114-M165 HydrophobicContact CG-CB 4.14Å; F114-M165 HydrophobicContact CG-CG 3.84Å; F114-M165 HydrophobicContact CG-SD 4.24Å; F114-M165 HydrophobicContact CZ-CB 4.45Å; F114-M165 HydrophobicContact CZ-CG 4.18Å; G161-M165 WeakPolarHBondContact O-CB 3.44Å; G161-M165 VanDerWaalsContact O-CE 3.23Å; G161-M165 WeakPolarHBondContact O-CE 3.21Å; G161-M165 VanDerWaalsContact O-CG 3.31Å; G161-M165 WeakPolarHBondContact O-CG 3.29Å; G161-M165 PolarHBondContact O-N 3.39Å; W163-M165 PolarHBondContact O-N 3.39Å; M165-M167 PolarHBondContact O-N 3.19Å; M165-N168 PolarHBondContact O-N 2.88Å; M165-Y169 WeakPolarHBondContact O-CD2 3.31Å; M165-Y169 PolarHBondContact O-N 3.43Å |
| 166 | T | 97.3 | Very high | 96.2 | Very high | 18 Ų | 18 | 19.7 Ų | 19.7 | 11% | 0.11 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -63.5 | -44.9 | -177.6 | -61.8 | 0 | 0 | 0 | 0 | 112.4 | T79 M83 G162 W163 Y169 L170 | T79-T166 VanDerWaalsContact CB-OG1 3.28Å; T79-T166 WeakPolarHBondContact CB-OG1 3.28Å; T79-T166 WeakPolarHBondContact OG1-CA 3.29Å; T79-T166 WeakPolarHBondContact OG1-CB 3.41Å; T79-T166 PolarHBondContact OG1-OG1 3.02Å; M83-T166 HydrophobicContact CG-CG2 4.25Å; M83-T166 WeakPolarHBondContact CG-OG1 3.28Å; G162-T166 WeakPolarHBondContact O-CB 3.34Å; G162-T166 PolarHBondContact O-N 3.36Å; G162-T166 PolarHBondContact O-OG1 2.92Å; W163-T166 PolarHBondContact O-N 2.66Å; T166-Y169 PolarHBondContact O-N 3.34Å; T166-L170 PolarHBondContact O-N 3.15Å |
| 167 | M | 97.4 | Very high | 96.6 | Very high | 22 Ų | 22 | 19.9 Ų | 19.9 | 11% | 0.108 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -67.5 | -36.9 | 178.2 | 70.7 | -171.4 | -166.7 | 0 | 0 | 112 | W163 F164 M165 L170 V171 Q203 V206 Y238 | W163-M167 WeakPolarHBondContact O-CB 3.36Å; W163-M167 WeakPolarHBondContact O-CG 3.28Å; W163-M167 PolarHBondContact O-N 3.42Å; F164-M167 HydrophobicContact CB-CE 4.45Å; F164-M167 HydrophobicContact CD1-CE 3.62Å; F164-M167 HydrophobicContact CE1-CE 4.44Å; F164-M167 WeakPolarHBondContact O-CG 3.39Å; M165-M167 PolarHBondContact O-N 3.19Å; M167-L170 PolarHBondContact O-N 3.06Å; M167-V171 WeakPolarHBondContact O-CG2 3.17Å; M167-V171 PolarHBondContact O-N 3.26Å; M167-Q203 HydrophobicContact CB-CG 4.13Å; M167-Q203 HydrophobicContact CE-CG 3.79Å; M167-Q203 HydrophobicContact CG-CG 3.61Å; M167-Q203 HydrophobicContact SD-CG 3.82Å; M167-V206 HydrophobicContact SD-CG1 4.22Å; M167-Y238 HydrophobicContact CE-CE1 3.4Å; M167-Y238 VanDerWaalsContact CE-CE1 3.4Å; M167-Y238 VanDerWaalsContact CE-CZ 3.47Å; M167-Y238 WeakPolarHBondContact CE-OH 3.29Å |
| 168 | N | 98.2 | Very high | 96.7 | Very high | 7 Ų | 7 | 19.6 Ų | 19.6 | 4% | 0.037 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -65.9 | -44.6 | 175.8 | -178.1 | -91.6 | 0 | 0 | 0 | 111 | F114 K118 F164 M165 L170 V171 H172 | F114-N168 HydrophobicContact CE2-CB 3.64Å; F114-N168 WeakPolarHBondContact CE2-OD1 3.49Å; F114-N168 HydrophobicContact CZ-CB 3.8Å; K118-N168 PolarHBondContact NZ-OD1 3.03Å; F164-N168 VanDerWaalsContact O-CB 3.31Å; F164-N168 WeakPolarHBondContact O-CB 3.42Å; F164-N168 PolarHBondContact O-N 3.14Å; M165-N168 PolarHBondContact O-N 2.88Å; N168-L170 VanDerWaalsContact C-N 3.31Å; N168-L170 PolarHBondContact O-N 3.45Å; N168-V171 PolarHBondContact O-N 3.25Å; N168-H172 PolarHBondContact ND2-CD2 3.2Å; N168-H172 PolarHBondContact ND2-NE2 3.05Å; N168-H172 VanDerWaalsContact ND2-NE2 3.1Å; N168-H172 WeakPolarHBondContact O-CB 3.47Å; N168-H172 PolarHBondContact O-CD2 3.03Å; N168-H172 PolarHBondContact O-N 3.44Å |
| 169 | Y | 98.4 | Very high | 96.8 | Very high | 2 Ų | 2 | 24.2 Ų | 24.2 | 1% | 0.008 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -55.2 | -46.6 | 173.6 | -88.9 | -52 | 0 | 0 | 0 | 112.1 | F71 T79 W110 F114 M165 T166 H172 A173 | F71-Y169 HydrophobicContact CD1-CE1 4.12Å; F71-Y169 AromaticContact CE1-CE1 3.55Å; F71-Y169 HydrophobicContact CE1-CE1 3.55Å; F71-Y169 AromaticContact CZ-CE1 3.82Å; F71-Y169 HydrophobicContact CZ-CE1 3.82Å; F71-Y169 VanDerWaalsContact CZ-OH 3.25Å; F71-Y169 WeakPolarHBondContact CZ-OH 3.45Å; T79-Y169 HydrophobicContact CG2-CD2 4.21Å; T79-Y169 HydrophobicContact CG2-CE2 4.2Å; W110-Y169 HydrophobicContact CB-CE2 4.48Å; W110-Y169 PolarHBondContact O-OH 2.92Å; W110-Y169 VanDerWaalsContact O-OH 3.05Å; F114-Y169 VanDerWaalsContact CA-OH 3.31Å; F114-Y169 WeakPolarHBondContact CA-OH 3.35Å; F114-Y169 HydrophobicContact CB-CE2 3.78Å; F114-Y169 WeakPolarHBondContact CB-OH 3.48Å; F114-Y169 HydrophobicContact CD2-CD1 4.37Å; F114-Y169 AromaticContact CD2-CD2 3.91Å; F114-Y169 HydrophobicContact CD2-CD2 3.91Å; F114-Y169 HydrophobicContact CD2-CE1 4.14Å; F114-Y169 AromaticContact CD2-CE2 3.63Å; F114-Y169 HydrophobicContact CD2-CE2 3.63Å; F114-Y169 HydrophobicContact CD2-CG 4.28Å; F114-Y169 AromaticContact CD2-CZ 3.76Å; F114-Y169 HydrophobicContact CG-CE2 4.15Å; F114-Y169 PolarHBondContact N-OH 2.61Å; M165-Y169 WeakPolarHBondContact O-CD2 3.31Å; M165-Y169 PolarHBondContact O-N 3.43Å; T166-Y169 PolarHBondContact O-N 3.34Å; Y169-H172 PolarHBondContact O-N 3.48Å; Y169-A173 VanDerWaalsContact O-CB 3.28Å; Y169-A173 WeakPolarHBondContact O-CB 3.26Å; Y169-A173 PolarHBondContact O-N 2.92Å |
| 170 | L | 98.2 | Very high | 97 | Very high | 104 Ų | 104 | 24.6 Ų | 24.6 | 55% | 0.545 | 13% | 0.126 | S | C | . | . | H | α-helix | trans | -61.3 | -48.3 | 179 | 179.7 | 62.7 | 0 | 0 | 0 | 111.9 | A76 T166 M167 N168 A173 V174 | A76-L170 HydrophobicContact CB-CB 4.37Å; T166-L170 PolarHBondContact O-N 3.15Å; M167-L170 PolarHBondContact O-N 3.06Å; N168-L170 VanDerWaalsContact C-N 3.31Å; N168-L170 PolarHBondContact O-N 3.45Å; L170-A173 WeakPolarHBondContact O-CB 3.38Å; L170-A173 PolarHBondContact O-N 3.06Å; L170-V174 PolarHBondContact O-N 3.48Å |
| 171 | V | 98.1 | Very high | 97 | Very high | 11 Ų | 11 | 28.2 Ų | 28.2 | 7% | 0.067 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -67.7 | -39.6 | 179.8 | 171.3 | 0 | 0 | 0 | 0 | 111.5 | M167 N168 V174 M175 Q200 Q203 | M167-V171 WeakPolarHBondContact O-CG2 3.17Å; M167-V171 PolarHBondContact O-N 3.26Å; N168-V171 PolarHBondContact O-N 3.25Å; V171-V174 PolarHBondContact O-N 3.38Å; V171-M175 VanDerWaalsContact O-CB 3.3Å; V171-M175 WeakPolarHBondContact O-CB 3.32Å; V171-M175 PolarHBondContact O-N 2.93Å; V171-Q200 HydrophobicContact CG1-CB 4.49Å; V171-Q200 HydrophobicContact CG1-CG 3.45Å; V171-Q200 VanDerWaalsContact CG1-CG 3.45Å; V171-Q203 HydrophobicContact CG2-CB 4.15Å; V171-Q203 HydrophobicContact CG2-CG 4.39Å; V171-Q203 VanDerWaalsContact CG2-OE1 3.25Å |
| 172 | H | 98 | Very high | 97 | Very high | 8 Ų | 8 | 33.7 Ų | 33.7 | 4% | 0.037 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -66.6 | -36.8 | 176.7 | -81.3 | -141.7 | 0 | 0 | 0 | 111.7 | E121 N168 Y169 V174 M175 Y176 | E121-H172 IonicContact OE1-ND1 2.8Å; E121-H172 IonicContact OE2-CE1 3.19Å; E121-H172 PolarHBondContact OE2-CE1 3.35Å; E121-H172 VanDerWaalsContact OE2-CE1 3.3Å; E121-H172 IonicContact OE2-ND1 4Å; N168-H172 PolarHBondContact ND2-CD2 3.2Å; N168-H172 PolarHBondContact ND2-NE2 3.05Å; N168-H172 VanDerWaalsContact ND2-NE2 3.1Å; N168-H172 WeakPolarHBondContact O-CB 3.47Å; N168-H172 PolarHBondContact O-CD2 3.03Å; N168-H172 PolarHBondContact O-N 3.44Å; Y169-H172 PolarHBondContact O-N 3.48Å; H172-V174 VanDerWaalsContact C-N 3.33Å; H172-V174 PolarHBondContact O-N 2.97Å; H172-M175 PolarHBondContact O-N 3.29Å; H172-Y176 HydrophobicContact CB-CD2 3.99Å; H172-Y176 HydrophobicContact CB-CE2 4.13Å; H172-Y176 AromaticContact ND1-CE2 3.55Å; H172-Y176 WeakPolarHBondContact O-CB 3.27Å; H172-Y176 WeakPolarHBondContact O-CD2 3.31Å; H172-Y176 PolarHBondContact O-N 2.93Å |
| 173 | A | 98.2 | Very high | 96.8 | Very high | 8 Ų | 8 | 34 Ų | 34 | 7% | 0.066 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -56.2 | -47.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | I73 Y169 L170 S177 | I73-A173 HydrophobicContact CB-CB 4.47Å; I73-A173 HydrophobicContact CG1-CB 3.7Å; Y169-A173 VanDerWaalsContact O-CB 3.28Å; Y169-A173 WeakPolarHBondContact O-CB 3.26Å; Y169-A173 PolarHBondContact O-N 2.92Å; L170-A173 WeakPolarHBondContact O-CB 3.38Å; L170-A173 PolarHBondContact O-N 3.06Å; A173-S177 VanDerWaalsContact O-CB 3.23Å; A173-S177 WeakPolarHBondContact O-CB 3.42Å; A173-S177 PolarHBondContact O-N 3.07Å; A173-S177 PolarHBondContact O-OG 2.82Å |
| 174 | V | 97.6 | Very high | 96.7 | Very high | 42 Ų | 42 | 35.5 Ų | 35.5 | 26% | 0.255 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -70.2 | -45.6 | 178.5 | -175.1 | 0 | 0 | 0 | 0 | 111.3 | L170 V171 H172 Y178 F192 I196 | L170-V174 PolarHBondContact O-N 3.48Å; V171-V174 PolarHBondContact O-N 3.38Å; H172-V174 VanDerWaalsContact C-N 3.33Å; H172-V174 PolarHBondContact O-N 2.97Å; V174-Y178 PolarHBondContact O-N 2.83Å; V174-F192 HydrophobicContact CG1-CZ 4.08Å; V174-I196 HydrophobicContact CG1-CD1 4.47Å; V174-I196 HydrophobicContact CG1-CG1 3.92Å |
| 175 | M | 97.6 | Very high | 96.4 | Very high | 15 Ų | 15 | 37.2 Ų | 37.2 | 7% | 0.074 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -63.8 | -48 | -177.4 | -176.5 | -170.1 | 70.5 | 0 | 0 | 112.4 | V171 H172 Y178 Y179 I196 Q200 | V171-M175 VanDerWaalsContact O-CB 3.3Å; V171-M175 WeakPolarHBondContact O-CB 3.32Å; V171-M175 PolarHBondContact O-N 2.93Å; H172-M175 PolarHBondContact O-N 3.29Å; M175-Y178 WeakPolarHBondContact O-CB 3.45Å; M175-Y178 PolarHBondContact O-N 3.42Å; M175-Y179 HydrophobicContact CE-CE2 3.98Å; M175-Y179 HydrophobicContact CG-CD2 4.14Å; M175-Y179 HydrophobicContact CG-CE1 4.43Å; M175-Y179 HydrophobicContact CG-CE2 3.56Å; M175-Y179 PolarHBondContact O-N 2.99Å; M175-Y179 HydrophobicContact SD-CE2 3.76Å; M175-I196 HydrophobicContact CB-CG2 4.14Å; M175-I196 HydrophobicContact CG-CG2 4.31Å; M175-Q200 PolarHBondContact SD-NE2 2.94Å |
| 176 | Y | 98 | Very high | 96.1 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -71.8 | -33.5 | -179.8 | -77.7 | -61.9 | 0 | 0 | 0 | 112.4 | L68 D124 H172 Y178 Y179 A180 | L68-Y176 HydrophobicContact CB-CD1 3.9Å; L68-Y176 HydrophobicContact CB-CD2 3.71Å; L68-Y176 HydrophobicContact CB-CE1 4.11Å; L68-Y176 HydrophobicContact CB-CE2 3.92Å; L68-Y176 HydrophobicContact CB-CG 3.72Å; L68-Y176 HydrophobicContact CD1-CD1 4.06Å; L68-Y176 HydrophobicContact CD1-CE1 3.47Å; L68-Y176 VanDerWaalsContact CD1-CE1 3.47Å; L68-Y176 HydrophobicContact CD1-CE2 4.05Å; L68-Y176 VanDerWaalsContact CD1-CZ 3.48Å; L68-Y176 HydrophobicContact CG-CE1 4.45Å; D124-Y176 VanDerWaalsContact OD2-CE1 3.3Å; D124-Y176 WeakPolarHBondContact OD2-CE1 3.41Å; D124-Y176 PolarHBondContact OD2-OH 3.2Å; H172-Y176 HydrophobicContact CB-CD2 3.99Å; H172-Y176 HydrophobicContact CB-CE2 4.13Å; H172-Y176 AromaticContact ND1-CE2 3.55Å; H172-Y176 WeakPolarHBondContact O-CB 3.27Å; H172-Y176 WeakPolarHBondContact O-CD2 3.31Å; H172-Y176 PolarHBondContact O-N 2.93Å; Y176-Y178 VanDerWaalsContact C-N 3.27Å; Y176-Y178 PolarHBondContact O-N 3.46Å; Y176-Y179 HydrophobicContact CD1-CD2 4.04Å; Y176-Y179 HydrophobicContact CE1-CD2 4.32Å; Y176-Y179 PolarHBondContact O-N 3.37Å; Y176-Y179 VanDerWaalsContact O-N 3.15Å; Y176-A180 WeakPolarHBondContact O-CB 3.25Å; Y176-A180 PolarHBondContact O-N 3.41Å |
| 177 | S | 97.2 | Very high | 95.7 | Very high | 38 Ų | 38 | 51.9 Ų | 51.9 | 27% | 0.266 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -58.5 | -43.7 | 170.4 | -63.8 | 0 | 0 | 0 | 0 | 110.8 | A173 A180 L181 | A173-S177 VanDerWaalsContact O-CB 3.23Å; A173-S177 WeakPolarHBondContact O-CB 3.42Å; A173-S177 PolarHBondContact O-N 3.07Å; A173-S177 PolarHBondContact O-OG 2.82Å; S177-A180 PolarHBondContact O-N 3.25Å; S177-L181 VanDerWaalsContact O-CG 3.3Å; S177-L181 WeakPolarHBondContact O-CG 3.48Å; S177-L181 PolarHBondContact O-N 3.34Å |
| 178 | Y | 96.6 | Very high | 95.3 | Very high | 36 Ų | 36 | 52.5 Ų | 52.5 | 14% | 0.141 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -60.9 | -44.8 | 173.3 | 170.7 | -100.8 | 0 | 0 | 0 | 112.7 | V174 M175 Y176 L181 R182 V188 F192 A193 I196 | V174-Y178 PolarHBondContact O-N 2.83Å; M175-Y178 WeakPolarHBondContact O-CB 3.45Å; M175-Y178 PolarHBondContact O-N 3.42Å; Y176-Y178 VanDerWaalsContact C-N 3.27Å; Y176-Y178 PolarHBondContact O-N 3.46Å; Y178-L181 PolarHBondContact O-N 3.37Å; Y178-R182 HydrophobicContact CD1-CG 4.35Å; Y178-R182 HydrophobicContact CD2-CG 4.17Å; Y178-R182 HydrophobicContact CE1-CG 3.95Å; Y178-R182 HydrophobicContact CE2-CG 3.8Å; Y178-R182 HydrophobicContact CG-CG 4.44Å; Y178-R182 WeakPolarHBondContact O-CB 3.46Å; Y178-R182 WeakPolarHBondContact O-CG 3.37Å; Y178-R182 PolarHBondContact O-N 2.88Å; Y178-V188 HydrophobicContact CD2-CB 4Å; Y178-V188 HydrophobicContact CD2-CG1 3.71Å; Y178-V188 HydrophobicContact CD2-CG2 4.22Å; Y178-V188 HydrophobicContact CE2-CB 3.66Å; Y178-V188 HydrophobicContact CE2-CG1 3.62Å; Y178-V188 HydrophobicContact CE2-CG2 4.26Å; Y178-F192 AromaticContact CD2-CD1 3.69Å; Y178-F192 HydrophobicContact CD2-CD1 3.69Å; Y178-F192 HydrophobicContact CD2-CE1 4.05Å; Y178-F192 HydrophobicContact CE2-CD1 4.33Å; Y178-F192 HydrophobicContact CG-CD1 4.47Å; Y178-F192 HydrophobicContact CG-CE1 4.49Å; Y178-A193 HydrophobicContact CE2-CB 4.29Å; Y178-I196 HydrophobicContact CD1-CD1 3.86Å; Y178-I196 HydrophobicContact CD2-CD1 3.83Å; Y178-I196 HydrophobicContact CG-CD1 3.42Å; Y178-I196 VanDerWaalsContact CG-CD1 3.42Å |
| 179 | Y | 95 | Very high | 95 | Very high | 100 Ų | 100 | 55.3 Ų | 55.3 | 39% | 0.392 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -65.7 | -39.8 | 178.4 | -67 | -22 | 0 | 0 | 0 | 112.9 | M175 Y176 R182 A183 | M175-Y179 HydrophobicContact CE-CE2 3.98Å; M175-Y179 HydrophobicContact CG-CD2 4.14Å; M175-Y179 HydrophobicContact CG-CE1 4.43Å; M175-Y179 HydrophobicContact CG-CE2 3.56Å; M175-Y179 PolarHBondContact O-N 2.99Å; M175-Y179 HydrophobicContact SD-CE2 3.76Å; Y176-Y179 HydrophobicContact CD1-CD2 4.04Å; Y176-Y179 HydrophobicContact CE1-CD2 4.32Å; Y176-Y179 PolarHBondContact O-N 3.37Å; Y176-Y179 VanDerWaalsContact O-N 3.15Å; Y179-R182 PolarHBondContact O-N 3.45Å; Y179-A183 VanDerWaalsContact O-CB 3.29Å; Y179-A183 WeakPolarHBondContact O-CB 3.35Å; Y179-A183 PolarHBondContact O-N 3Å |
| 180 | A | 96 | Very high | 94.5 | Very high | 11 Ų | 11 | 60.8 Ų | 60.8 | 9% | 0.091 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -59.3 | -50.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | L66 Y176 S177 R182 A183 V184 | L66-A180 HydrophobicContact CB-CB 4.25Å; Y176-A180 WeakPolarHBondContact O-CB 3.25Å; Y176-A180 PolarHBondContact O-N 3.41Å; S177-A180 PolarHBondContact O-N 3.25Å; A180-R182 VanDerWaalsContact C-N 3.32Å; A180-R182 PolarHBondContact O-N 2.82Å; A180-A183 PolarHBondContact O-N 3.28Å; A180-A183 VanDerWaalsContact O-N 3.12Å; A180-V184 WeakPolarHBondContact O-CG2 3.47Å; A180-V184 PolarHBondContact O-N 3.22Å; A180-V184 VanDerWaalsContact O-N 3.08Å |
| 181 | L | 95.5 | Very high | 94.2 | Very high | 78 Ų | 78 | 64.3 Ų | 64.3 | 41% | 0.408 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -59 | -41.5 | 176.4 | -70.6 | 173.6 | 0 | 0 | 0 | 112.3 | S177 Y178 A183 V184 G185 F186 V188 | S177-L181 VanDerWaalsContact O-CG 3.3Å; S177-L181 WeakPolarHBondContact O-CG 3.48Å; S177-L181 PolarHBondContact O-N 3.34Å; Y178-L181 PolarHBondContact O-N 3.37Å; L181-A183 VanDerWaalsContact C-N 3.35Å; L181-V184 WeakPolarHBondContact O-CG2 3.28Å; L181-G185 PolarHBondContact O-N 3Å; L181-F186 HydrophobicContact CB-CB 4.5Å; L181-F186 WeakPolarHBondContact O-CB 3.27Å; L181-F186 PolarHBondContact O-N 3.03Å; L181-V188 HydrophobicContact CB-CG2 4.06Å |
| 182 | R | 93.5 | Very high | 94 | Very high | 120 Ų | 120 | 67.4 Ų | 67.4 | 45% | 0.453 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -67.7 | -35.4 | 176.8 | -71.7 | -70.2 | -64.2 | 168.1 | -5.1 | 112.3 | Y178 Y179 A180 G185 V188 | Y178-R182 HydrophobicContact CD1-CG 4.35Å; Y178-R182 HydrophobicContact CD2-CG 4.17Å; Y178-R182 HydrophobicContact CE1-CG 3.95Å; Y178-R182 HydrophobicContact CE2-CG 3.8Å; Y178-R182 HydrophobicContact CG-CG 4.44Å; Y178-R182 WeakPolarHBondContact O-CB 3.46Å; Y178-R182 WeakPolarHBondContact O-CG 3.37Å; Y178-R182 PolarHBondContact O-N 2.88Å; Y179-R182 PolarHBondContact O-N 3.45Å; A180-R182 VanDerWaalsContact C-N 3.32Å; A180-R182 PolarHBondContact O-N 2.82Å; R182-G185 PolarHBondContact O-N 3.02Å; R182-V188 HydrophobicContact CG-CG2 4.29Å |
| 183 | A | 92.5 | Very high | 93.7 | Very high | 12 Ų | 12 | 67.6 Ų | 67.6 | 10% | 0.099 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -71.4 | -35.6 | -179 | 0 | 0 | 0 | 0 | 0 | 112.7 | L61 A62 Y179 A180 L181 G185 | L61-A183 HydrophobicContact CD2-CB 4.32Å; L61-A183 HydrophobicContact CG-CB 4.11Å; A62-A183 HydrophobicContact CB-CB 3.68Å; Y179-A183 VanDerWaalsContact O-CB 3.29Å; Y179-A183 WeakPolarHBondContact O-CB 3.35Å; Y179-A183 PolarHBondContact O-N 3Å; A180-A183 PolarHBondContact O-N 3.28Å; A180-A183 VanDerWaalsContact O-N 3.12Å; L181-A183 VanDerWaalsContact C-N 3.35Å; A183-G185 PolarHBondContact O-N 3.35Å |
| 184 | V | 93.2 | Very high | 93.5 | Very high | 93 Ų | 93 | 70.1 Ų | 70.1 | 56% | 0.564 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.8 | -5 | 172.7 | -63.4 | 0 | 0 | 0 | 0 | 113.6 | A62 A180 L181 F186 | A62-V184 HydrophobicContact CB-CG1 3.71Å; A180-V184 WeakPolarHBondContact O-CG2 3.47Å; A180-V184 PolarHBondContact O-N 3.22Å; A180-V184 VanDerWaalsContact O-N 3.08Å; L181-V184 WeakPolarHBondContact O-CG2 3.28Å; V184-F186 HydrophobicContact CG2-CD2 3.57Å; V184-F186 HydrophobicContact CG2-CE2 4.1Å |
| 185 | G | 90.1 | Very high | 93.4 | Very high | 48 Ų | 48 | 73.3 Ų | 73.3 | 50% | 0.495 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 100.6 | 4.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | L181 R182 A183 K187 | L181-G185 PolarHBondContact O-N 3Å; R182-G185 PolarHBondContact O-N 3.02Å; A183-G185 PolarHBondContact O-N 3.35Å; G185-K187 PolarHBondContact O-N 3.4Å |
| 186 | F | 91.5 | Very high | 93.4 | Very high | 135 Ų | 135 | 72.9 Ų | 72.9 | 59% | 0.592 | 36% | 0.357 | S | S | * | . | trans | -66.8 | 133.2 | 175.2 | -80.2 | -97 | 0 | 0 | 0 | 111.1 | L181 V184 V188 | L181-F186 HydrophobicContact CB-CB 4.5Å; L181-F186 WeakPolarHBondContact O-CB 3.27Å; L181-F186 PolarHBondContact O-N 3.03Å; V184-F186 HydrophobicContact CG2-CD2 3.57Å; V184-F186 HydrophobicContact CG2-CE2 4.1Å; F186-V188 PolarHBondContact O-N 3.25Å; F186-V188 VanDerWaalsContact O-N 3.1Å | ||
| 187 | K | 88.8 | Confident | 93.3 | Very high | 199 Ų | 199 | 73.1 Ų | 73.1 | 87% | 0.865 | 36% | 0.359 | S | S | * | . | trans | -81.6 | 88.5 | 175.1 | -67.7 | -176.5 | -176 | 174.6 | 0 | 109.5 | G185 | G185-K187 PolarHBondContact O-N 3.4Š| ||
| 188 | V | 90.1 | Very high | 93.3 | Very high | 35 Ų | 35 | 75 Ų | 75 | 21% | 0.212 | 37% | 0.365 | C | S | . | . | trans | -78.3 | 142.6 | 173 | -171.1 | 0 | 0 | 0 | 0 | 110.8 | Y178 L181 R182 F186 F192 | Y178-V188 HydrophobicContact CD2-CB 4Å; Y178-V188 HydrophobicContact CD2-CG1 3.71Å; Y178-V188 HydrophobicContact CD2-CG2 4.22Å; Y178-V188 HydrophobicContact CE2-CB 3.66Å; Y178-V188 HydrophobicContact CE2-CG1 3.62Å; Y178-V188 HydrophobicContact CE2-CG2 4.26Å; L181-V188 HydrophobicContact CB-CG2 4.06Å; R182-V188 HydrophobicContact CG-CG2 4.29Å; F186-V188 PolarHBondContact O-N 3.25Å; F186-V188 VanDerWaalsContact O-N 3.1Å; V188-F192 HydrophobicContact CG1-CB 3.88Å; V188-F192 HydrophobicContact CG1-CD1 3.65Å; V188-F192 HydrophobicContact CG1-CG 4.05Å | ||
| 189 | S | 90.3 | Very high | 93.3 | Very high | 66 Ų | 66 | 74.9 Ų | 74.9 | 46% | 0.462 | 37% | 0.368 | S | S | . | . | trans | -66.6 | 148.4 | -175.5 | 78.3 | 0 | 0 | 0 | 0 | 112.8 | K191 F192 A193 | S189-K191 PolarHBondContact O-N 2.97Å; S189-F192 PolarHBondContact O-N 2.91Å; S189-F192 VanDerWaalsContact O-N 3.15Å; S189-F192 PolarHBondContact OG-N 3.12Å; S189-A193 PolarHBondContact O-N 3.18Å | ||
| 190 | R | 88.8 | Confident | 93.4 | Very high | 118 Ų | 118 | 71 Ų | 71 | 45% | 0.445 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -60.4 | -32 | 174 | -173.7 | 179.9 | -176.5 | -152.9 | -0.9 | 112.3 | F192 A193 M194 A252 Y253 T257 | R190-F192 VanDerWaalsContact C-N 3.3Å; R190-F192 PolarHBondContact O-N 3.48Å; R190-A193 PolarHBondContact O-N 3.02Å; R190-M194 PolarHBondContact O-N 3.12Å; R190-A252 PolarHBondContact NH2-O 3.02Å; R190-Y253 HydrophobicContact CG-CD1 4.46Å; R190-Y253 HydrophobicContact CG-CE1 4.33Å; R190-Y253 PolarHBondContact NH2-O 2.84Å; R190-T257 PolarHBondContact NH1-OG1 3.37Å; R190-T257 PolarHBondContact NH2-OG1 3.27Å; R190-T257 VanDerWaalsContact NH2-OG1 3.13Å |
| 191 | K | 91 | Very high | 93.5 | Very high | 177 Ų | 177 | 71.3 Ų | 71.3 | 77% | 0.77 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -62.3 | -39.3 | 177 | -65.6 | -176.3 | 179.2 | -178.6 | 0 | 111.3 | S189 M194 F195 | S189-K191 PolarHBondContact O-N 2.97Å; K191-M194 WeakPolarHBondContact O-CB 3.29Å; K191-M194 PolarHBondContact O-N 3.05Å; K191-F195 PolarHBondContact O-N 3.41Å |
| 192 | F | 93.7 | Very high | 93.6 | Very high | 76 Ų | 76 | 71.4 Ų | 71.4 | 33% | 0.333 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -69.1 | -40.8 | 177.3 | -167 | -103.3 | 0 | 0 | 0 | 112 | V174 Y178 V188 S189 R190 M194 F195 I196 | V174-F192 HydrophobicContact CG1-CZ 4.08Å; Y178-F192 AromaticContact CD2-CD1 3.69Å; Y178-F192 HydrophobicContact CD2-CD1 3.69Å; Y178-F192 HydrophobicContact CD2-CE1 4.05Å; Y178-F192 HydrophobicContact CE2-CD1 4.33Å; Y178-F192 HydrophobicContact CG-CD1 4.47Å; Y178-F192 HydrophobicContact CG-CE1 4.49Å; V188-F192 HydrophobicContact CG1-CB 3.88Å; V188-F192 HydrophobicContact CG1-CD1 3.65Å; V188-F192 HydrophobicContact CG1-CG 4.05Å; S189-F192 PolarHBondContact O-N 2.91Å; S189-F192 VanDerWaalsContact O-N 3.15Å; S189-F192 PolarHBondContact OG-N 3.12Å; R190-F192 VanDerWaalsContact C-N 3.3Å; R190-F192 PolarHBondContact O-N 3.48Å; F192-M194 VanDerWaalsContact C-N 3.28Å; F192-M194 PolarHBondContact O-N 2.6Å; F192-F195 HydrophobicContact CE2-CD1 4.38Å; F192-F195 WeakPolarHBondContact O-CB 3.1Å; F192-F195 PolarHBondContact O-N 2.71Å; F192-I196 HydrophobicContact CD1-CD1 3.8Å; F192-I196 HydrophobicContact CD1-CG1 4.38Å; F192-I196 HydrophobicContact CE1-CD1 3.7Å; F192-I196 HydrophobicContact CE1-CG1 4.23Å; F192-I196 WeakPolarHBondContact O-CG1 3.37Å; F192-I196 PolarHBondContact O-N 3.26Å |
| 193 | A | 92.7 | Very high | 93.8 | Very high | 12 Ų | 12 | 66.4 Ų | 66.4 | 10% | 0.099 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -59.6 | -40.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y178 S189 R190 I196 T197 Y253 | Y178-A193 HydrophobicContact CE2-CB 4.29Å; S189-A193 PolarHBondContact O-N 3.18Å; R190-A193 PolarHBondContact O-N 3.02Å; A193-I196 PolarHBondContact O-N 2.85Å; A193-T197 PolarHBondContact O-N 3.02Å; A193-T197 VanDerWaalsContact O-N 3.11Å; A193-T197 PolarHBondContact O-OG1 3.42Å; A193-T197 VanDerWaalsContact O-OG1 3.12Å; A193-Y253 PolarHBondContact O-OH 3.34Å; A193-Y253 VanDerWaalsContact O-OH 3.04Å |
| 194 | M | 94.2 | Very high | 94.1 | Very high | 62 Ų | 62 | 66 Ų | 66 | 31% | 0.305 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -63.2 | -44.6 | 174.6 | -176.5 | -170.4 | -77.3 | 0 | 0 | 111.8 | R190 K191 F192 I196 T197 L198 F249 Y253 | R190-M194 PolarHBondContact O-N 3.12Å; K191-M194 WeakPolarHBondContact O-CB 3.29Å; K191-M194 PolarHBondContact O-N 3.05Å; F192-M194 VanDerWaalsContact C-N 3.28Å; F192-M194 PolarHBondContact O-N 2.6Å; M194-I196 VanDerWaalsContact C-N 3.33Å; M194-I196 PolarHBondContact O-N 3.36Å; M194-T197 PolarHBondContact O-N 2.66Å; M194-L198 HydrophobicContact CG-CD1 4.43Å; M194-L198 WeakPolarHBondContact O-CG 3.18Å; M194-L198 PolarHBondContact O-N 3.35Å; M194-F249 HydrophobicContact CG-CE2 3.49Å; M194-F249 VanDerWaalsContact CG-CE2 3.49Å; M194-F249 HydrophobicContact CG-CZ 3.76Å; M194-F249 HydrophobicContact SD-CZ 4.23Å; M194-Y253 HydrophobicContact CB-CD1 4.09Å; M194-Y253 HydrophobicContact CB-CE1 3.91Å; M194-Y253 HydrophobicContact CE-CD1 3.94Å; M194-Y253 HydrophobicContact CE-CG 4.04Å; M194-Y253 HydrophobicContact CG-CD1 4.37Å; M194-Y253 HydrophobicContact CG-CG 4.34Å; M194-Y253 PolarHBondContact N-OH 3.46Å |
| 195 | F | 96.2 | Very high | 94.3 | Very high | 108 Ų | 108 | 65.4 Ų | 65.4 | 47% | 0.474 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -56.5 | -45.8 | 174.9 | 171.6 | -101.1 | 0 | 0 | 0 | 111.6 | K191 F192 T197 L198 T199 | K191-F195 PolarHBondContact O-N 3.41Å; F192-F195 HydrophobicContact CE2-CD1 4.38Å; F192-F195 WeakPolarHBondContact O-CB 3.1Å; F192-F195 PolarHBondContact O-N 2.71Å; F195-T197 VanDerWaalsContact C-N 3.35Å; F195-T197 PolarHBondContact O-N 3.18Å; F195-L198 WeakPolarHBondContact O-CB 3.5Å; F195-L198 PolarHBondContact O-N 3.44Å; F195-L198 VanDerWaalsContact O-N 3.15Å; F195-T199 HydrophobicContact CD1-CG2 4.35Å; F195-T199 HydrophobicContact CD2-CG2 4.43Å; F195-T199 HydrophobicContact CE1-CG2 3.9Å; F195-T199 HydrophobicContact CE2-CG2 3.99Å; F195-T199 HydrophobicContact CZ-CG2 3.7Å; F195-T199 WeakPolarHBondContact O-CG2 3.24Å; F195-T199 PolarHBondContact O-N 3.37Å |
| 196 | I | 96.5 | Very high | 94.6 | Very high | 7 Ų | 7 | 65.7 Ų | 65.7 | 4% | 0.036 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -58.1 | -48.3 | 175.9 | -64.5 | 166.6 | 0 | 0 | 0 | 110.7 | V174 M175 Y178 F192 A193 M194 L198 T199 Q200 | V174-I196 HydrophobicContact CG1-CD1 4.47Å; V174-I196 HydrophobicContact CG1-CG1 3.92Å; M175-I196 HydrophobicContact CB-CG2 4.14Å; M175-I196 HydrophobicContact CG-CG2 4.31Å; Y178-I196 HydrophobicContact CD1-CD1 3.86Å; Y178-I196 HydrophobicContact CD2-CD1 3.83Å; Y178-I196 HydrophobicContact CG-CD1 3.42Å; Y178-I196 VanDerWaalsContact CG-CD1 3.42Å; F192-I196 HydrophobicContact CD1-CD1 3.8Å; F192-I196 HydrophobicContact CD1-CG1 4.38Å; F192-I196 HydrophobicContact CE1-CD1 3.7Å; F192-I196 HydrophobicContact CE1-CG1 4.23Å; F192-I196 WeakPolarHBondContact O-CG1 3.37Å; F192-I196 PolarHBondContact O-N 3.26Å; A193-I196 PolarHBondContact O-N 2.85Å; M194-I196 VanDerWaalsContact C-N 3.33Å; M194-I196 PolarHBondContact O-N 3.36Å; I196-L198 VanDerWaalsContact C-N 3.28Å; I196-L198 PolarHBondContact O-N 2.68Å; I196-T199 PolarHBondContact O-N 3.32Å; I196-T199 VanDerWaalsContact O-N 3.14Å; I196-T199 PolarHBondContact O-OG1 2.91Å; I196-Q200 PolarHBondContact O-N 2.99Å |
| 197 | T | 95.9 | Very high | 94.9 | Very high | 5 Ų | 5 | 59.3 Ų | 59.3 | 3% | 0.031 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -61.7 | -37 | 178.6 | -49.7 | 0 | 0 | 0 | 0 | 112 | A193 M194 F195 Q200 I201 F245 F248 F249 Y253 | A193-T197 PolarHBondContact O-N 3.02Å; A193-T197 VanDerWaalsContact O-N 3.11Å; A193-T197 PolarHBondContact O-OG1 3.42Å; A193-T197 VanDerWaalsContact O-OG1 3.12Å; M194-T197 PolarHBondContact O-N 2.66Å; F195-T197 VanDerWaalsContact C-N 3.35Å; F195-T197 PolarHBondContact O-N 3.18Å; T197-Q200 WeakPolarHBondContact O-CB 3.16Å; T197-Q200 PolarHBondContact O-N 3.46Å; T197-I201 HydrophobicContact CG2-CD1 4.4Å; T197-I201 WeakPolarHBondContact O-CG1 3.34Å; T197-I201 PolarHBondContact O-N 3.19Å; T197-F245 HydrophobicContact CG2-CD1 4.41Å; T197-F248 HydrophobicContact CG2-CD1 3.77Å; T197-F248 HydrophobicContact CG2-CE1 3.95Å; T197-F249 HydrophobicContact CG2-CB 4.2Å; T197-F249 HydrophobicContact CG2-CD2 3.82Å; T197-Y253 HydrophobicContact CG2-CE2 4.15Å; T197-Y253 WeakPolarHBondContact OG1-CE2 3.46Å; T197-Y253 PolarHBondContact OG1-OH 3.03Å |
| 198 | L | 96.8 | Very high | 95.3 | Very high | 77 Ų | 77 | 51.7 Ų | 51.7 | 40% | 0.403 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -64 | -43.5 | 173.9 | -69.9 | 172 | 0 | 0 | 0 | 111.8 | M194 F195 I196 Q200 I201 T202 F249 | M194-L198 HydrophobicContact CG-CD1 4.43Å; M194-L198 WeakPolarHBondContact O-CG 3.18Å; M194-L198 PolarHBondContact O-N 3.35Å; F195-L198 WeakPolarHBondContact O-CB 3.5Å; F195-L198 PolarHBondContact O-N 3.44Å; F195-L198 VanDerWaalsContact O-N 3.15Å; I196-L198 VanDerWaalsContact C-N 3.28Å; I196-L198 PolarHBondContact O-N 2.68Å; L198-Q200 VanDerWaalsContact C-N 3.27Å; L198-Q200 PolarHBondContact O-N 2.93Å; L198-I201 PolarHBondContact O-N 2.77Å; L198-I201 VanDerWaalsContact O-N 3.13Å; L198-T202 PolarHBondContact O-N 2.65Å; L198-T202 PolarHBondContact O-OG1 2.73Å; L198-T202 VanDerWaalsContact O-OG1 3.12Å; L198-F249 HydrophobicContact CD1-CE2 4.46Å; L198-F249 HydrophobicContact CD2-CD2 4.21Å; L198-F249 HydrophobicContact CD2-CE2 3.6Å; L198-F249 HydrophobicContact CD2-CZ 3.88Å; L198-F249 HydrophobicContact CG-CE2 3.76Å; L198-F249 HydrophobicContact CG-CZ 4.3Å |
| 199 | T | 97.4 | Very high | 95.6 | Very high | 33 Ų | 33 | 54 Ų | 54 | 20% | 0.202 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -60.8 | -37 | 176.3 | 61.9 | 0 | 0 | 0 | 0 | 112.2 | F195 I196 T202 Q203 | F195-T199 HydrophobicContact CD1-CG2 4.35Å; F195-T199 HydrophobicContact CD2-CG2 4.43Å; F195-T199 HydrophobicContact CE1-CG2 3.9Å; F195-T199 HydrophobicContact CE2-CG2 3.99Å; F195-T199 HydrophobicContact CZ-CG2 3.7Å; F195-T199 WeakPolarHBondContact O-CG2 3.24Å; F195-T199 PolarHBondContact O-N 3.37Å; I196-T199 PolarHBondContact O-N 3.32Å; I196-T199 VanDerWaalsContact O-N 3.14Å; I196-T199 PolarHBondContact O-OG1 2.91Å; T199-T202 PolarHBondContact O-N 2.97Å; T199-Q203 WeakPolarHBondContact O-CB 3.38Å; T199-Q203 PolarHBondContact O-N 3.48Å |
| 200 | Q | 97.7 | Very high | 96 | Very high | 18 Ų | 18 | 51 Ų | 51 | 8% | 0.084 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -64.5 | -42.4 | 173.5 | -71.8 | 170.9 | -30.5 | 0 | 0 | 112.2 | V171 M175 I196 T197 L198 Q203 M204 F245 | V171-Q200 HydrophobicContact CG1-CB 4.49Å; V171-Q200 HydrophobicContact CG1-CG 3.45Å; V171-Q200 VanDerWaalsContact CG1-CG 3.45Å; M175-Q200 PolarHBondContact SD-NE2 2.94Å; I196-Q200 PolarHBondContact O-N 2.99Å; T197-Q200 WeakPolarHBondContact O-CB 3.16Å; T197-Q200 PolarHBondContact O-N 3.46Å; L198-Q200 VanDerWaalsContact C-N 3.27Å; L198-Q200 PolarHBondContact O-N 2.93Å; Q200-Q203 WeakPolarHBondContact O-CB 3.14Å; Q200-Q203 PolarHBondContact O-N 3.13Å; Q200-M204 WeakPolarHBondContact O-CG 3.41Å; Q200-M204 PolarHBondContact O-N 3.43Å; Q200-M204 VanDerWaalsContact O-N 3.15Å; Q200-F245 HydrophobicContact CB-CD1 4.08Å; Q200-F245 HydrophobicContact CB-CE1 3.95Å; Q200-F245 HydrophobicContact CB-CZ 4.26Å; Q200-F245 HydrophobicContact CG-CE1 4.27Å; Q200-F245 HydrophobicContact CG-CZ 4.48Å |
| 201 | I | 97.8 | Very high | 96.3 | Very high | 19 Ų | 19 | 45.6 Ų | 45.6 | 10% | 0.097 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63.5 | -46.7 | 175.9 | -68.9 | 166.7 | 0 | 0 | 0 | 110.6 | T197 L198 Q203 M204 L205 F242 F245 F249 | T197-I201 HydrophobicContact CG2-CD1 4.4Å; T197-I201 WeakPolarHBondContact O-CG1 3.34Å; T197-I201 PolarHBondContact O-N 3.19Å; L198-I201 PolarHBondContact O-N 2.77Å; L198-I201 VanDerWaalsContact O-N 3.13Å; I201-Q203 VanDerWaalsContact C-N 3.28Å; I201-Q203 PolarHBondContact O-N 3.35Å; I201-M204 PolarHBondContact O-N 2.94Å; I201-M204 VanDerWaalsContact O-N 3.08Å; I201-L205 PolarHBondContact O-N 3.12Å; I201-L205 VanDerWaalsContact O-N 3.1Å; I201-F242 HydrophobicContact CG2-CD2 3.99Å; I201-F242 HydrophobicContact CG2-CE2 3.65Å; I201-F245 HydrophobicContact CG1-CB 3.71Å; I201-F249 HydrophobicContact CD1-CB 3.91Å; I201-F249 HydrophobicContact CD1-CD2 4.2Å; I201-F249 HydrophobicContact CD1-CG 4.18Å |
| 202 | T | 97.6 | Very high | 96.6 | Very high | 80 Ų | 80 | 44.3 Ų | 44.3 | 49% | 0.491 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -59.2 | -41.4 | 176.5 | -59 | 0 | 0 | 0 | 0 | 111.2 | L198 T199 M204 L205 V206 | L198-T202 PolarHBondContact O-N 2.65Å; L198-T202 PolarHBondContact O-OG1 2.73Å; L198-T202 VanDerWaalsContact O-OG1 3.12Å; T199-T202 PolarHBondContact O-N 2.97Å; T202-M204 VanDerWaalsContact C-N 3.28Å; T202-M204 PolarHBondContact O-N 2.9Å; T202-L205 PolarHBondContact O-N 2.88Å; T202-V206 HydrophobicContact CG2-CG2 4.29Å; T202-V206 WeakPolarHBondContact O-CG2 3.23Å; T202-V206 PolarHBondContact O-N 3.4Å |
| 203 | Q | 97.9 | Very high | 96.7 | Very high | 14 Ų | 14 | 42.4 Ų | 42.4 | 7% | 0.065 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -56.9 | -42 | 174.6 | -174.4 | -161.6 | -44.4 | 0 | 0 | 111.7 | M167 V171 T199 Q200 I201 G207 | M167-Q203 HydrophobicContact CB-CG 4.13Å; M167-Q203 HydrophobicContact CE-CG 3.79Å; M167-Q203 HydrophobicContact CG-CG 3.61Å; M167-Q203 HydrophobicContact SD-CG 3.82Å; V171-Q203 HydrophobicContact CG2-CB 4.15Å; V171-Q203 HydrophobicContact CG2-CG 4.39Å; V171-Q203 VanDerWaalsContact CG2-OE1 3.25Å; T199-Q203 WeakPolarHBondContact O-CB 3.38Å; T199-Q203 PolarHBondContact O-N 3.48Å; Q200-Q203 WeakPolarHBondContact O-CB 3.14Å; Q200-Q203 PolarHBondContact O-N 3.13Å; I201-Q203 VanDerWaalsContact C-N 3.28Å; I201-Q203 PolarHBondContact O-N 3.35Å; Q203-G207 PolarHBondContact O-N 3.25Å |
| 204 | M | 97.6 | Very high | 96.8 | Very high | 3 Ų | 3 | 41.9 Ų | 41.9 | 2% | 0.015 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -67.2 | -40.7 | 179 | -59.2 | -54.5 | 111 | 0 | 0 | 112.4 | Q200 I201 T202 G207 C208 Y238 Y241 F242 F245 | Q200-M204 WeakPolarHBondContact O-CG 3.41Å; Q200-M204 PolarHBondContact O-N 3.43Å; Q200-M204 VanDerWaalsContact O-N 3.15Å; I201-M204 PolarHBondContact O-N 2.94Å; I201-M204 VanDerWaalsContact O-N 3.08Å; T202-M204 VanDerWaalsContact C-N 3.28Å; T202-M204 PolarHBondContact O-N 2.9Å; M204-G207 PolarHBondContact O-N 3.14Å; M204-C208 PolarHBondContact O-N 3.15Å; M204-C208 PolarHBondContact O-SG 3.08Å; M204-C208 VanDerWaalsContact O-SG 3.41Å; M204-Y238 HydrophobicContact CE-CD1 4.36Å; M204-Y238 HydrophobicContact CE-CE1 4.13Å; M204-Y238 HydrophobicContact SD-CD1 3.61Å; M204-Y238 HydrophobicContact SD-CE1 3.97Å; M204-Y241 WeakPolarHBondContact SD-CB 3.4Å; M204-Y241 HydrophobicContact SD-CD2 3.6Å; M204-Y241 HydrophobicContact SD-CG 4Å; M204-F242 HydrophobicContact CB-CB 3.76Å; M204-F242 HydrophobicContact CB-CD2 4.28Å; M204-F242 HydrophobicContact CG-CB 4.48Å; M204-F245 HydrophobicContact CG-CD2 4.41Å |
| 205 | L | 97.1 | Very high | 96.8 | Very high | 81 Ų | 81 | 43.9 Ų | 43.9 | 42% | 0.424 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -61.8 | -48.7 | 175.6 | -73.5 | 174.2 | 0 | 0 | 0 | 112 | I201 T202 G207 C208 V209 F242 | I201-L205 PolarHBondContact O-N 3.12Å; I201-L205 VanDerWaalsContact O-N 3.1Å; T202-L205 PolarHBondContact O-N 2.88Å; L205-G207 PolarHBondContact O-N 3.04Å; L205-C208 WeakPolarHBondContact O-CB 3.38Å; L205-C208 PolarHBondContact O-N 3.35Å; L205-V209 WeakPolarHBondContact O-CG2 3.15Å; L205-V209 PolarHBondContact O-N 3.26Å; L205-F242 HydrophobicContact CD1-CE2 3.79Å; L205-F242 HydrophobicContact CD1-CZ 4.49Å; L205-F242 HydrophobicContact CD2-CD2 3.67Å; L205-F242 HydrophobicContact CD2-CE1 4.29Å; L205-F242 HydrophobicContact CD2-CE2 3.29Å; L205-F242 HydrophobicContact CD2-CG 4.32Å; L205-F242 HydrophobicContact CD2-CZ 3.64Å; L205-F242 HydrophobicContact CG-CD2 3.69Å; L205-F242 HydrophobicContact CG-CE2 3.39Å; L205-F242 HydrophobicContact CG-CZ 4.21Å |
| 206 | V | 97.4 | Very high | 96.8 | Very high | 55 Ų | 55 | 39.9 Ų | 39.9 | 33% | 0.333 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -60.2 | -39.3 | 176.1 | 174.2 | 0 | 0 | 0 | 0 | 110.2 | M167 T202 C208 V209 V210 | M167-V206 HydrophobicContact SD-CG1 4.22Å; T202-V206 HydrophobicContact CG2-CG2 4.29Å; T202-V206 WeakPolarHBondContact O-CG2 3.23Å; T202-V206 PolarHBondContact O-N 3.4Å; V206-C208 PolarHBondContact O-N 3.06Å; V206-V209 PolarHBondContact O-N 3.42Å; V206-V210 HydrophobicContact CG1-CG2 4.36Å; V206-V210 WeakPolarHBondContact O-CG2 3.46Å; V206-V210 PolarHBondContact O-N 2.87Å |
| 207 | G | 97 | Very high | 96.7 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -59.2 | -43.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q203 M204 L205 V210 N211 | Q203-G207 PolarHBondContact O-N 3.25Å; M204-G207 PolarHBondContact O-N 3.14Å; L205-G207 PolarHBondContact O-N 3.04Å; G207-V210 PolarHBondContact O-N 3.35Å; G207-N211 PolarHBondContact O-N 3.39Å; G207-N211 PolarHBondContact O-ND2 3.11Å |
| 208 | C | 97.4 | Very high | 96.5 | Very high | 39 Ų | 39 | 43.2 Ų | 43.2 | 26% | 0.264 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -61.9 | -41.4 | 173.3 | -67.8 | 0 | 0 | 0 | 0 | 112.2 | M204 L205 V206 N211 Y212 | M204-C208 PolarHBondContact O-N 3.15Å; M204-C208 PolarHBondContact O-SG 3.08Å; M204-C208 VanDerWaalsContact O-SG 3.41Å; L205-C208 WeakPolarHBondContact O-CB 3.38Å; L205-C208 PolarHBondContact O-N 3.35Å; V206-C208 PolarHBondContact O-N 3.06Å; C208-N211 PolarHBondContact O-N 3.1Å; C208-Y212 PolarHBondContact O-N 3.17Å |
| 209 | V | 97.4 | Very high | 96.1 | Very high | 83 Ų | 83 | 45.1 Ų | 45.1 | 50% | 0.503 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -63.3 | -45.4 | 176.6 | 173.6 | 0 | 0 | 0 | 0 | 111.1 | L205 V206 N211 Y212 L213 | L205-V209 WeakPolarHBondContact O-CG2 3.15Å; L205-V209 PolarHBondContact O-N 3.26Å; V206-V209 PolarHBondContact O-N 3.42Å; V209-N211 VanDerWaalsContact C-N 3.35Å; V209-N211 PolarHBondContact O-N 3.49Å; V209-Y212 WeakPolarHBondContact O-CB 3.08Å; V209-Y212 PolarHBondContact O-N 3.06Å; V209-L213 HydrophobicContact CG1-CD1 4.06Å; V209-L213 HydrophobicContact CG1-CG 4.31Å; V209-L213 WeakPolarHBondContact O-CG 3.39Å; V209-L213 PolarHBondContact O-N 3.47Å |
| 210 | V | 96.9 | Very high | 95.8 | Very high | 5 Ų | 5 | 48.6 Ų | 48.6 | 3% | 0.03 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -60.2 | -44.7 | 177.1 | 171.6 | 0 | 0 | 0 | 0 | 110.9 | V96 W163 F164 V206 G207 Y212 L213 V214 | V96-V210 HydrophobicContact CG1-CG1 4.16Å; W163-V210 HydrophobicContact CB-CG1 4.37Å; W163-V210 HydrophobicContact CB-CG2 4.07Å; W163-V210 HydrophobicContact CG-CG2 4.23Å; F164-V210 HydrophobicContact CD1-CG1 4.46Å; F164-V210 HydrophobicContact CE1-CB 3.83Å; F164-V210 HydrophobicContact CE1-CG1 3.72Å; F164-V210 HydrophobicContact CE2-CG1 4.4Å; F164-V210 HydrophobicContact CZ-CB 4.15Å; F164-V210 HydrophobicContact CZ-CG1 3.66Å; V206-V210 HydrophobicContact CG1-CG2 4.36Å; V206-V210 WeakPolarHBondContact O-CG2 3.46Å; V206-V210 PolarHBondContact O-N 2.87Å; G207-V210 PolarHBondContact O-N 3.35Å; V210-Y212 VanDerWaalsContact C-N 3.34Å; V210-Y212 PolarHBondContact O-N 2.92Å; V210-L213 PolarHBondContact O-N 3.35Å; V210-V214 HydrophobicContact CG1-CG2 4.43Å; V210-V214 WeakPolarHBondContact O-CG2 3.31Å; V210-V214 PolarHBondContact O-N 2.91Å |
| 211 | N | 96.4 | Very high | 94.9 | Very high | 4 Ų | 4 | 51.1 Ų | 51.1 | 2% | 0.021 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -59.3 | -43.9 | 175.2 | -81.1 | -42.1 | 0 | 0 | 0 | 112.4 | F164 G207 C208 V209 V214 Y215 S234 | F164-N211 WeakPolarHBondContact CZ-OD1 3.23Å; G207-N211 PolarHBondContact O-N 3.39Å; G207-N211 PolarHBondContact O-ND2 3.11Å; C208-N211 PolarHBondContact O-N 3.1Å; V209-N211 VanDerWaalsContact C-N 3.35Å; V209-N211 PolarHBondContact O-N 3.49Å; N211-V214 PolarHBondContact O-N 2.9Å; N211-Y215 WeakPolarHBondContact O-CB 3.46Å; N211-Y215 PolarHBondContact O-N 3.29Å; N211-S234 VanDerWaalsContact CG-OG 3.31Å; N211-S234 PolarHBondContact ND2-OG 2.99Å; N211-S234 VanDerWaalsContact OD1-CB 3.24Å; N211-S234 WeakPolarHBondContact OD1-CB 3.41Å; N211-S234 PolarHBondContact OD1-OG 2.85Å |
| 212 | Y | 96.1 | Very high | 94 | Very high | 150 Ų | 150 | 53.2 Ų | 53.2 | 59% | 0.588 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -61.5 | -43.6 | 176.1 | 169.8 | -98.9 | 0 | 0 | 0 | 111.9 | C208 V209 V210 Y215 S216 | C208-Y212 PolarHBondContact O-N 3.17Å; V209-Y212 WeakPolarHBondContact O-CB 3.08Å; V209-Y212 PolarHBondContact O-N 3.06Å; V210-Y212 VanDerWaalsContact C-N 3.34Å; V210-Y212 PolarHBondContact O-N 2.92Å; Y212-Y215 PolarHBondContact O-N 3.48Å; Y212-S216 VanDerWaalsContact O-CB 3.29Å; Y212-S216 WeakPolarHBondContact O-CB 3.32Å; Y212-S216 PolarHBondContact O-N 2.86Å |
| 213 | L | 96.1 | Very high | 93.3 | Very high | 35 Ų | 35 | 58 Ų | 58 | 18% | 0.183 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -63.9 | -46.6 | 178.8 | -71.6 | 175.7 | 0 | 0 | 0 | 111.9 | L92 V209 V210 Y215 S216 W217 | L92-L213 HydrophobicContact CD2-CD1 4.42Å; V209-L213 HydrophobicContact CG1-CD1 4.06Å; V209-L213 HydrophobicContact CG1-CG 4.31Å; V209-L213 WeakPolarHBondContact O-CG 3.39Å; V209-L213 PolarHBondContact O-N 3.47Å; V210-L213 PolarHBondContact O-N 3.35Å; L213-Y215 VanDerWaalsContact C-N 3.33Å; L213-Y215 PolarHBondContact O-N 3.29Å; L213-S216 PolarHBondContact O-N 2.96Å; L213-W217 HydrophobicContact CB-CE3 4Å; L213-W217 HydrophobicContact CB-CH2 3.95Å; L213-W217 HydrophobicContact CB-CZ3 3.62Å; L213-W217 HydrophobicContact CD1-CH2 4.01Å; L213-W217 HydrophobicContact CD1-CZ3 4.35Å; L213-W217 HydrophobicContact CD2-CH2 4.05Å; L213-W217 HydrophobicContact CD2-CZ2 4.07Å; L213-W217 HydrophobicContact CG-CH2 4.23Å; L213-W217 HydrophobicContact CG-CZ3 4.39Å; L213-W217 VanDerWaalsContact O-CE3 3.3Å; L213-W217 PolarHBondContact O-N 3.28Å |
| 214 | V | 95.3 | Very high | 92.8 | Very high | 1 Ų | 1 | 57.8 Ų | 57.8 | 1% | 0.006 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -56.5 | -49.4 | 174.9 | 173.4 | 0 | 0 | 0 | 0 | 109.9 | V96 A159 V210 N211 S216 M218 I231 | V96-V214 HydrophobicContact CG1-CG2 3.47Å; V96-V214 VanDerWaalsContact CG1-CG2 3.47Å; A159-V214 HydrophobicContact CB-CG1 4.04Å; A159-V214 HydrophobicContact CB-CG2 4.14Å; V210-V214 HydrophobicContact CG1-CG2 4.43Å; V210-V214 WeakPolarHBondContact O-CG2 3.31Å; V210-V214 PolarHBondContact O-N 2.91Å; N211-V214 PolarHBondContact O-N 2.9Å; V214-S216 PolarHBondContact O-N 3.32Å; V214-M218 HydrophobicContact CG1-SD 4.05Å; V214-M218 WeakPolarHBondContact O-CB 3.42Å; V214-M218 VanDerWaalsContact O-CG 3.24Å; V214-M218 WeakPolarHBondContact O-CG 3.47Å; V214-M218 PolarHBondContact O-N 3.31Å; V214-I231 HydrophobicContact CG1-CD1 3.8Å; V214-I231 HydrophobicContact CG1-CG1 4.22Å |
| 215 | Y | 94.9 | Very high | 92.3 | Very high | 104 Ų | 104 | 60.1 Ų | 60.1 | 41% | 0.408 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -60 | -47.4 | 177.9 | -179.1 | -103.3 | 0 | 0 | 0 | 112.4 | N211 Y212 L213 W217 M218 Q219 I231 | N211-Y215 WeakPolarHBondContact O-CB 3.46Å; N211-Y215 PolarHBondContact O-N 3.29Å; Y212-Y215 PolarHBondContact O-N 3.48Å; L213-Y215 VanDerWaalsContact C-N 3.33Å; L213-Y215 PolarHBondContact O-N 3.29Å; Y215-W217 PolarHBondContact O-N 2.9Å; Y215-M218 PolarHBondContact O-N 3.26Å; Y215-Q219 HydrophobicContact CD1-CG 4.34Å; Y215-Q219 HydrophobicContact CD2-CG 4.49Å; Y215-Q219 HydrophobicContact CE1-CG 3.92Å; Y215-Q219 HydrophobicContact CE2-CG 4.09Å; Y215-Q219 WeakPolarHBondContact O-CG 3.26Å; Y215-Q219 PolarHBondContact O-N 3.43Å; Y215-I231 HydrophobicContact CD2-CD1 4.47Å |
| 216 | S | 94.7 | Very high | 91.9 | Very high | 25 Ų | 25 | 57 Ų | 57 | 18% | 0.175 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -60.8 | -46.4 | -178.2 | -170.7 | 0 | 0 | 0 | 0 | 111.8 | Y212 L213 V214 Q219 Q220 | Y212-S216 VanDerWaalsContact O-CB 3.29Å; Y212-S216 WeakPolarHBondContact O-CB 3.32Å; Y212-S216 PolarHBondContact O-N 2.86Å; L213-S216 PolarHBondContact O-N 2.96Å; V214-S216 PolarHBondContact O-N 3.32Å; S216-Q219 PolarHBondContact O-N 2.99Å; S216-Q220 VanDerWaalsContact O-CG 3.29Å; S216-Q220 WeakPolarHBondContact O-CG 3.37Å; S216-Q220 PolarHBondContact O-N 3.12Å; S216-Q220 VanDerWaalsContact O-N 3.13Å; S216-Q220 PolarHBondContact O-NE2 3.27Å; S216-Q220 PolarHBondContact OG-NE2 2.94Å |
| 217 | W | 94.4 | Very high | 91.6 | Very high | 36 Ų | 36 | 59.1 Ų | 59.1 | 14% | 0.136 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -69.6 | -34.9 | 179.1 | -68.4 | -40.1 | 0 | 0 | 0 | 112.9 | L92 K93 V96 C97 L213 Y215 Q219 Q220 Q222 C224 | L92-W217 HydrophobicContact CG-CH2 4.33Å; K93-W217 VanDerWaalsContact CA-CH2 3.48Å; K93-W217 HydrophobicContact CB-CH2 3.94Å; K93-W217 HydrophobicContact CB-CZ2 3.82Å; K93-W217 HydrophobicContact CB-CZ3 4.32Å; K93-W217 HydrophobicContact CG-CD2 3.94Å; K93-W217 HydrophobicContact CG-CE3 4.12Å; K93-W217 HydrophobicContact CG-CG 4.45Å; K93-W217 HydrophobicContact CG-CH2 4.35Å; K93-W217 HydrophobicContact CG-CZ2 4.17Å; K93-W217 HydrophobicContact CG-CZ3 4.32Å; V96-W217 HydrophobicContact CB-CH2 4.49Å; V96-W217 HydrophobicContact CB-CZ3 3.67Å; V96-W217 HydrophobicContact CG1-CE3 4.31Å; V96-W217 HydrophobicContact CG1-CZ3 3.75Å; V96-W217 HydrophobicContact CG2-CH2 4.48Å; V96-W217 HydrophobicContact CG2-CZ3 4.06Å; C97-W217 VanDerWaalsContact SG-CE3 3.54Å; L213-W217 HydrophobicContact CB-CE3 4Å; L213-W217 HydrophobicContact CB-CH2 3.95Å; L213-W217 HydrophobicContact CB-CZ3 3.62Å; L213-W217 HydrophobicContact CD1-CH2 4.01Å; L213-W217 HydrophobicContact CD1-CZ3 4.35Å; L213-W217 HydrophobicContact CD2-CH2 4.05Å; L213-W217 HydrophobicContact CD2-CZ2 4.07Å; L213-W217 HydrophobicContact CG-CH2 4.23Å; L213-W217 HydrophobicContact CG-CZ3 4.39Å; L213-W217 VanDerWaalsContact O-CE3 3.3Å; L213-W217 PolarHBondContact O-N 3.28Å; Y215-W217 PolarHBondContact O-N 2.9Å; W217-Q219 PolarHBondContact O-N 3.44Å; W217-Q220 PolarHBondContact O-N 2.89Å; W217-Q222 HydrophobicContact CB-CB 4.42Å; W217-Q222 WeakPolarHBondContact O-CB 3.07Å; W217-Q222 PolarHBondContact O-N 2.86Å; W217-Q222 VanDerWaalsContact O-N 3.14Å; W217-C224 HydrophobicContact CB-CB 4.34Å |
| 218 | M | 92.3 | Very high | 91.3 | Very high | 46 Ų | 46 | 62.9 Ų | 62.9 | 23% | 0.227 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -59.8 | -44.1 | 170.9 | -75.3 | 178.7 | 72.5 | 0 | 0 | 112.3 | V214 Y215 Q220 G221 C224 S226 I231 | V214-M218 HydrophobicContact CG1-SD 4.05Å; V214-M218 WeakPolarHBondContact O-CB 3.42Å; V214-M218 VanDerWaalsContact O-CG 3.24Å; V214-M218 WeakPolarHBondContact O-CG 3.47Å; V214-M218 PolarHBondContact O-N 3.31Å; Y215-M218 PolarHBondContact O-N 3.26Å; M218-Q220 VanDerWaalsContact C-N 3.29Å; M218-Q220 PolarHBondContact O-N 3.46Å; M218-G221 PolarHBondContact O-N 3.43Å; M218-C224 HydrophobicContact CG-CB 3.96Å; M218-C224 VanDerWaalsContact CG-O 3.27Å; M218-C224 WeakPolarHBondContact CG-O 3.18Å; M218-S226 WeakPolarHBondContact CE-O 3.32Å; M218-I231 HydrophobicContact CE-CD1 4.49Å; M218-I231 HydrophobicContact SD-CD1 3.42Å; M218-I231 WeakPolarHBondContact SD-CD1 3.43Å |
| 219 | Q | 89.6 | Confident | 91.1 | Very high | 116 Ų | 116 | 67.3 Ų | 67.3 | 54% | 0.542 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -69 | -27.5 | 180 | -66.4 | -58.5 | -38.7 | 0 | 0 | 113 | Y215 S216 W217 G221 | Y215-Q219 HydrophobicContact CD1-CG 4.34Å; Y215-Q219 HydrophobicContact CD2-CG 4.49Å; Y215-Q219 HydrophobicContact CE1-CG 3.92Å; Y215-Q219 HydrophobicContact CE2-CG 4.09Å; Y215-Q219 WeakPolarHBondContact O-CG 3.26Å; Y215-Q219 PolarHBondContact O-N 3.43Å; S216-Q219 PolarHBondContact O-N 2.99Å; W217-Q219 PolarHBondContact O-N 3.44Å; Q219-G221 PolarHBondContact O-N 3.44Å |
| 220 | Q | 89.8 | Confident | 90.9 | Very high | 106 Ų | 106 | 63.4 Ų | 63.4 | 50% | 0.495 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | 6.8 | 175.7 | -69 | 168.9 | 32.8 | 0 | 0 | 113.2 | S216 W217 M218 Q222 | S216-Q220 VanDerWaalsContact O-CG 3.29Å; S216-Q220 WeakPolarHBondContact O-CG 3.37Å; S216-Q220 PolarHBondContact O-N 3.12Å; S216-Q220 VanDerWaalsContact O-N 3.13Å; S216-Q220 PolarHBondContact O-NE2 3.27Å; S216-Q220 PolarHBondContact OG-NE2 2.94Å; W217-Q220 PolarHBondContact O-N 2.89Å; M218-Q220 VanDerWaalsContact C-N 3.29Å; M218-Q220 PolarHBondContact O-N 3.46Å; Q220-Q222 HydrophobicContact CB-CG 3.99Å; Q220-Q222 PolarHBondContact O-N 2.92Å |
| 221 | G | 79.1 | Confident | 90.8 | Very high | 72 Ų | 72 | 63.7 Ų | 63.7 | 74% | 0.742 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.4 | 18.7 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | M218 Q219 | M218-G221 PolarHBondContact O-N 3.43Å; Q219-G221 PolarHBondContact O-N 3.44Å |
| 222 | Q | 78.3 | Confident | 90.8 | Very high | 63 Ų | 63 | 66.9 Ų | 66.9 | 29% | 0.294 | 34% | 0.342 | S | S | . | . | trans | -87.4 | 148.2 | 178.7 | -57.6 | -176.7 | -0.4 | 0 | 0 | 110.3 | W217 Q220 C224 | W217-Q222 HydrophobicContact CB-CB 4.42Å; W217-Q222 WeakPolarHBondContact O-CB 3.07Å; W217-Q222 PolarHBondContact O-N 2.86Å; W217-Q222 VanDerWaalsContact O-N 3.14Å; Q220-Q222 HydrophobicContact CB-CG 3.99Å; Q220-Q222 PolarHBondContact O-N 2.92Å; Q222-C224 PolarHBondContact O-N 2.97Å | ||
| 223 | E | 83.3 | Confident | 90.7 | Very high | 181 Ų | 181 | 66.8 Ų | 66.8 | 85% | 0.846 | 34% | 0.341 | S | S | * | . | trans | -63.7 | 99.6 | 176.2 | -66.1 | -174.6 | 170.4 | 0 | 0 | 110.9 | ||||
| 224 | C | 87.7 | Confident | 90.8 | Very high | 8 Ų | 8 | 65.1 Ų | 65.1 | 5% | 0.054 | 33% | 0.333 | C | S | . | . | trans | -141.5 | 83.6 | 173.2 | -156.1 | 0 | 0 | 0 | 0 | 108.3 | C97 W217 M218 Q222 S226 | C97-C224 VanDerWaalsContact CA-SG 3.57Å; C97-C224 HydrophobicContact CB-CB 3.79Å; C97-C224 WeakPolarHBondContact CB-SG 3.17Å; C97-C224 WeakPolarHBondContact SG-CB 3.28Å; C97-C224 CovalentContact SG-SG 2.05Å; C97-C224 PolarHBondContact SG-SG 3.42Å; W217-C224 HydrophobicContact CB-CB 4.34Å; M218-C224 HydrophobicContact CG-CB 3.96Å; M218-C224 VanDerWaalsContact CG-O 3.27Å; M218-C224 WeakPolarHBondContact CG-O 3.18Å; Q222-C224 PolarHBondContact O-N 2.97Å; C224-S226 PolarHBondContact O-N 3.09Å | ||
| 225 | P | 86.8 | Confident | 90.8 | Very high | 52 Ų | 52 | 67 Ų | 67 | 34% | 0.338 | 35% | 0.346 | S | S | . | . | trans | -65.6 | 103.3 | -171.3 | 27.1 | -37.1 | 0 | 0 | 0 | 111.3 | C97 Q99 A159 | C97-P225 WeakPolarHBondContact O-CD 3.24Å; Q99-P225 HydrophobicContact CG-CB 4.28Å; Q99-P225 HydrophobicContact CG-CG 3.43Å; Q99-P225 VanDerWaalsContact CG-CG 3.43Å; Q99-P225 VanDerWaalsContact OE1-CG 3.3Å; A159-P225 WeakPolarHBondContact CB-O 3.49Å; A159-P225 PolarHBondContact N-O 2.83Å; A159-P225 VanDerWaalsContact N-O 3.08Å | ||
| 226 | S | 89.4 | Confident | 90.9 | Very high | 17 Ų | 17 | 66.6 Ų | 66.6 | 12% | 0.119 | 35% | 0.35 | C | S | . | . | trans | -157.2 | 175.3 | 175.3 | -167.9 | 0 | 0 | 0 | 0 | 110.1 | M218 C224 | M218-S226 WeakPolarHBondContact CE-O 3.32Å; C224-S226 PolarHBondContact O-N 3.09Å | ||
| 227 | H | 91.1 | Very high | 91 | Very high | 99 Ų | 99 | 66 Ų | 66 | 46% | 0.458 | 34% | 0.344 | S | S | . | . | trans | -120.4 | 138.1 | 179.2 | -58.4 | -68.4 | 0 | 0 | 0 | 110.4 | D156 Q229 N230 I231 | D156-H227 IonicContact OD2-CD2 3.46Å; H227-Q229 PolarHBondContact O-N 3.12Å; H227-N230 HydrophobicContact CB-CB 4.33Å; H227-N230 WeakPolarHBondContact O-CA 3.25Å; H227-N230 WeakPolarHBondContact O-CB 3.3Å; H227-N230 PolarHBondContact O-N 2.99Å; H227-I231 PolarHBondContact O-N 3.42Å | ||
| 228 | V | 91.1 | Very high | 91.2 | Very high | 78 Ų | 78 | 64.9 Ų | 64.9 | 47% | 0.473 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -55 | -39.9 | 178.7 | 178.8 | 0 | 0 | 0 | 0 | 111.4 | N230 I231 V232 | V228-N230 PolarHBondContact O-N 3.02Å; V228-I231 PolarHBondContact O-N 2.93Å; V228-V232 HydrophobicContact CG1-CG2 4.34Å; V228-V232 WeakPolarHBondContact O-CG2 3.46Å; V228-V232 PolarHBondContact O-N 3.43Å |
| 229 | Q | 92.6 | Very high | 91.4 | Very high | 133 Ų | 133 | 67.3 Ų | 67.3 | 62% | 0.621 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -60.1 | -43.5 | 176 | -66.6 | -179.2 | -10.3 | 0 | 0 | 112.4 | H227 I231 V232 W233 | H227-Q229 PolarHBondContact O-N 3.12Å; Q229-I231 VanDerWaalsContact C-N 3.35Å; Q229-I231 PolarHBondContact O-N 3.36Å; Q229-V232 PolarHBondContact O-N 3.46Å; Q229-W233 PolarHBondContact O-N 2.9Å |
| 230 | N | 93.8 | Very high | 91.8 | Very high | 1 Ų | 1 | 63.1 Ų | 63.1 | 1% | 0.005 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -62.8 | -42 | 176.5 | -97.1 | -69.4 | 0 | 0 | 0 | 111.6 | Y152 D156 V158 H227 V228 W233 S234 | Y152-N230 VanDerWaalsContact CD1-OD1 3.28Å; Y152-N230 WeakPolarHBondContact CD1-OD1 3.46Å; Y152-N230 HydrophobicContact CE1-CB 4.47Å; Y152-N230 VanDerWaalsContact CE1-CG 3.45Å; Y152-N230 WeakPolarHBondContact CE1-OD1 3.44Å; D156-N230 PolarHBondContact OD2-ND2 3.34Å; D156-N230 VanDerWaalsContact OD2-ND2 3.12Å; V158-N230 HydrophobicContact CG1-CB 3.93Å; H227-N230 HydrophobicContact CB-CB 4.33Å; H227-N230 WeakPolarHBondContact O-CA 3.25Å; H227-N230 WeakPolarHBondContact O-CB 3.3Å; H227-N230 PolarHBondContact O-N 2.99Å; V228-N230 PolarHBondContact O-N 3.02Å; N230-W233 PolarHBondContact O-N 3.23Å; N230-S234 WeakPolarHBondContact O-CB 3.25Å; N230-S234 PolarHBondContact O-N 2.98Å |
| 231 | I | 94.4 | Very high | 92.2 | Very high | 11 Ų | 11 | 58.2 Ų | 58.2 | 6% | 0.056 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -64.6 | -42.6 | 177.6 | -64.3 | 169.6 | 0 | 0 | 0 | 110.9 | V214 Y215 M218 H227 V228 Q229 S234 S235 | V214-I231 HydrophobicContact CG1-CD1 3.8Å; V214-I231 HydrophobicContact CG1-CG1 4.22Å; Y215-I231 HydrophobicContact CD2-CD1 4.47Å; M218-I231 HydrophobicContact CE-CD1 4.49Å; M218-I231 HydrophobicContact SD-CD1 3.42Å; M218-I231 WeakPolarHBondContact SD-CD1 3.43Å; H227-I231 PolarHBondContact O-N 3.42Å; V228-I231 PolarHBondContact O-N 2.93Å; Q229-I231 VanDerWaalsContact C-N 3.35Å; Q229-I231 PolarHBondContact O-N 3.36Å; I231-S234 PolarHBondContact O-N 2.85Å; I231-S235 VanDerWaalsContact O-CB 3.22Å; I231-S235 WeakPolarHBondContact O-CB 3.42Å; I231-S235 PolarHBondContact O-N 3.39Å; I231-S235 PolarHBondContact O-OG 2.74Å |
| 232 | V | 95.5 | Very high | 93.1 | Very high | 70 Ų | 70 | 57.4 Ų | 57.4 | 42% | 0.424 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -61.2 | -51.7 | 177 | 169.8 | 0 | 0 | 0 | 0 | 110.2 | V228 Q229 S234 S235 L236 | V228-V232 HydrophobicContact CG1-CG2 4.34Å; V228-V232 WeakPolarHBondContact O-CG2 3.46Å; V228-V232 PolarHBondContact O-N 3.43Å; Q229-V232 PolarHBondContact O-N 3.46Å; V232-S234 VanDerWaalsContact C-N 3.35Å; V232-S234 PolarHBondContact O-N 3.16Å; V232-S235 PolarHBondContact O-N 3.41Å; V232-L236 HydrophobicContact CG1-CD1 3.95Å; V232-L236 HydrophobicContact CG1-CG 4.46Å; V232-L236 WeakPolarHBondContact O-CB 3.11Å; V232-L236 VanDerWaalsContact O-CG 3.3Å; V232-L236 WeakPolarHBondContact O-CG 3.42Å; V232-L236 PolarHBondContact O-N 3.41Å |
| 233 | W | 95.8 | Very high | 94 | Very high | 149 Ų | 149 | 58.2 Ų | 58.2 | 56% | 0.564 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -62.3 | -41.4 | 179 | -69.2 | 126.8 | 0 | 0 | 0 | 112.6 | Y149 Q229 N230 L236 M237 | Y149-W233 HydrophobicContact CD2-CB 4.38Å; Y149-W233 HydrophobicContact CE2-CB 4.48Å; Q229-W233 PolarHBondContact O-N 2.9Å; N230-W233 PolarHBondContact O-N 3.23Å; W233-L236 HydrophobicContact CE3-CD1 3.99Å; W233-L236 HydrophobicContact CZ3-CD1 4.06Å; W233-M237 VanDerWaalsContact O-CB 3.32Å; W233-M237 WeakPolarHBondContact O-CB 3.46Å; W233-M237 PolarHBondContact O-N 3.37Å |
| 234 | S | 96.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -61.1 | -47.9 | 174.9 | -168.8 | 0 | 0 | 0 | 0 | 111.8 | Y149 N211 N230 I231 V232 M237 Y238 | Y149-S234 WeakPolarHBondContact OH-CB 3.44Å; Y149-S234 PolarHBondContact OH-OG 3.18Å; Y149-S234 VanDerWaalsContact OH-OG 3.12Å; N211-S234 VanDerWaalsContact CG-OG 3.31Å; N211-S234 PolarHBondContact ND2-OG 2.99Å; N211-S234 VanDerWaalsContact OD1-CB 3.24Å; N211-S234 WeakPolarHBondContact OD1-CB 3.41Å; N211-S234 PolarHBondContact OD1-OG 2.85Å; N230-S234 WeakPolarHBondContact O-CB 3.25Å; N230-S234 PolarHBondContact O-N 2.98Å; I231-S234 PolarHBondContact O-N 2.85Å; V232-S234 VanDerWaalsContact C-N 3.35Å; V232-S234 PolarHBondContact O-N 3.16Å; S234-M237 PolarHBondContact O-N 2.7Å; S234-Y238 WeakPolarHBondContact O-CD2 3.49Å; S234-Y238 PolarHBondContact O-N 3.14Å |
| 235 | S | 96.1 | Very high | 95.1 | Very high | 40 Ų | 40 | 51.5 Ų | 51.5 | 28% | 0.28 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -64.6 | -43.7 | -177.9 | -59.9 | 0 | 0 | 0 | 0 | 111.2 | I231 V232 L239 | I231-S235 VanDerWaalsContact O-CB 3.22Å; I231-S235 WeakPolarHBondContact O-CB 3.42Å; I231-S235 PolarHBondContact O-N 3.39Å; I231-S235 PolarHBondContact O-OG 2.74Å; V232-S235 PolarHBondContact O-N 3.41Å; S235-L239 WeakPolarHBondContact O-CB 3.49Å; S235-L239 PolarHBondContact O-N 3.27Å |
| 236 | L | 96.9 | Very high | 95.6 | Very high | 95 Ų | 95 | 51.2 Ų | 51.2 | 50% | 0.497 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -60.2 | -46 | 174.2 | -71.1 | 173.5 | 0 | 0 | 0 | 111.4 | V232 W233 S240 | V232-L236 HydrophobicContact CG1-CD1 3.95Å; V232-L236 HydrophobicContact CG1-CG 4.46Å; V232-L236 WeakPolarHBondContact O-CB 3.11Å; V232-L236 VanDerWaalsContact O-CG 3.3Å; V232-L236 WeakPolarHBondContact O-CG 3.42Å; V232-L236 PolarHBondContact O-N 3.41Å; W233-L236 HydrophobicContact CE3-CD1 3.99Å; W233-L236 HydrophobicContact CZ3-CD1 4.06Å; L236-S240 VanDerWaalsContact O-CB 3.25Å; L236-S240 WeakPolarHBondContact O-CB 3.26Å; L236-S240 PolarHBondContact O-N 3.17Å; L236-S240 PolarHBondContact O-OG 3.23Å |
| 237 | M | 97.3 | Very high | 95.9 | Very high | 12 Ų | 12 | 55.2 Ų | 55.2 | 6% | 0.059 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -60.9 | -55.1 | 178.1 | -176.9 | -170.3 | 67.7 | 0 | 0 | 111.3 | Y149 W233 S234 L239 S240 Y241 | Y149-M237 HydrophobicContact CD1-CE 3.38Å; Y149-M237 HydrophobicContact CD1-SD 3.76Å; Y149-M237 HydrophobicContact CE1-CE 3.77Å; Y149-M237 HydrophobicContact CG-CE 3.97Å; Y149-M237 HydrophobicContact CG-SD 3.81Å; W233-M237 VanDerWaalsContact O-CB 3.32Å; W233-M237 WeakPolarHBondContact O-CB 3.46Å; W233-M237 PolarHBondContact O-N 3.37Å; S234-M237 PolarHBondContact O-N 2.7Å; M237-L239 PolarHBondContact O-N 2.88Å; M237-S240 PolarHBondContact O-N 3.46Å; M237-S240 PolarHBondContact O-OG 2.8Å; M237-Y241 HydrophobicContact CE-CE2 4.27Å; M237-Y241 HydrophobicContact CG-CD2 4.06Å; M237-Y241 HydrophobicContact CG-CE1 3.98Å; M237-Y241 HydrophobicContact CG-CE2 3.4Å; M237-Y241 WeakPolarHBondContact CG-OH 3.38Å; M237-Y241 VanDerWaalsContact O-CG 3.3Å; M237-Y241 PolarHBondContact O-N 3.46Å; M237-Y241 HydrophobicContact SD-CE2 3.74Å; M237-Y241 PolarHBondContact SD-OH 3.4Å |
| 238 | Y | 97.3 | Very high | 96.1 | Very high | 14 Ų | 14 | 53.6 Ų | 53.6 | 6% | 0.055 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -63 | -40.5 | -178.1 | -86.5 | -74.1 | 0 | 0 | 0 | 112.8 | F164 M167 M204 S234 Y241 F242 | F164-Y238 AromaticContact CD1-CE2 3.67Å; F164-Y238 HydrophobicContact CD1-CE2 3.67Å; F164-Y238 AromaticContact CD1-CZ 3.62Å; F164-Y238 VanDerWaalsContact CD1-OH 3.26Å; F164-Y238 WeakPolarHBondContact CD1-OH 3.42Å; F164-Y238 HydrophobicContact CE1-CD2 4.36Å; F164-Y238 AromaticContact CE1-CE2 3.68Å; F164-Y238 HydrophobicContact CE1-CE2 3.68Å; F164-Y238 HydrophobicContact CG-CE2 4.18Å; F164-Y238 HydrophobicContact CZ-CE2 4.23Å; M167-Y238 HydrophobicContact CE-CE1 3.4Å; M167-Y238 VanDerWaalsContact CE-CE1 3.4Å; M167-Y238 VanDerWaalsContact CE-CZ 3.47Å; M167-Y238 WeakPolarHBondContact CE-OH 3.29Å; M204-Y238 HydrophobicContact CE-CD1 4.36Å; M204-Y238 HydrophobicContact CE-CE1 4.13Å; M204-Y238 HydrophobicContact SD-CD1 3.61Å; M204-Y238 HydrophobicContact SD-CE1 3.97Å; S234-Y238 WeakPolarHBondContact O-CD2 3.49Å; S234-Y238 PolarHBondContact O-N 3.14Å; Y238-Y241 PolarHBondContact O-N 3.42Å; Y238-F242 WeakPolarHBondContact O-CB 3.45Å; Y238-F242 PolarHBondContact O-N 3.39Å |
| 239 | L | 97.3 | Very high | 96.3 | Very high | 96 Ų | 96 | 51.5 Ų | 51.5 | 50% | 0.503 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -64.7 | -44.3 | 175.9 | -178.8 | 61.2 | 0 | 0 | 0 | 111.5 | S235 M237 Y241 F242 V243 | S235-L239 WeakPolarHBondContact O-CB 3.49Å; S235-L239 PolarHBondContact O-N 3.27Å; M237-L239 PolarHBondContact O-N 2.88Å; L239-Y241 VanDerWaalsContact C-N 3.33Å; L239-Y241 PolarHBondContact O-N 3.22Å; L239-F242 WeakPolarHBondContact O-CB 3.36Å; L239-F242 PolarHBondContact O-N 3.27Å; L239-V243 WeakPolarHBondContact O-CG2 3.22Å; L239-V243 PolarHBondContact O-N 3.02Å; L239-V243 VanDerWaalsContact O-N 3.09Å |
| 240 | S | 97.9 | Very high | 96.4 | Very high | 28 Ų | 28 | 48.9 Ų | 48.9 | 20% | 0.196 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -61 | -43.1 | 177.5 | 74.7 | 0 | 0 | 0 | 0 | 111.6 | Y141 L236 M237 V243 L244 | Y141-S240 PolarHBondContact OH-OG 2.92Å; L236-S240 VanDerWaalsContact O-CB 3.25Å; L236-S240 WeakPolarHBondContact O-CB 3.26Å; L236-S240 PolarHBondContact O-N 3.17Å; L236-S240 PolarHBondContact O-OG 3.23Å; M237-S240 PolarHBondContact O-N 3.46Å; M237-S240 PolarHBondContact O-OG 2.8Å; S240-V243 PolarHBondContact O-N 2.71Å; S240-L244 WeakPolarHBondContact O-CB 3.14Å; S240-L244 VanDerWaalsContact O-CG 3.25Å; S240-L244 WeakPolarHBondContact O-CG 3.38Å; S240-L244 PolarHBondContact O-N 2.82Å |
| 241 | Y | 97.8 | Very high | 96.4 | Very high | 3 Ų | 3 | 53.6 Ų | 53.6 | 1% | 0.012 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -65.7 | -42.5 | 177.2 | -66.4 | -9 | 0 | 0 | 0 | 111.4 | Y141 H142 T145 V146 M204 M237 Y238 L239 V243 L244 F245 | Y141-Y241 HydrophobicContact CD1-CD1 4.26Å; Y141-Y241 AromaticContact CD1-CE1 3.94Å; Y141-Y241 HydrophobicContact CD1-CE1 3.94Å; Y141-Y241 AromaticContact CE1-CD1 3.89Å; Y141-Y241 HydrophobicContact CE1-CD1 3.89Å; Y141-Y241 AromaticContact CE1-CE1 3.64Å; Y141-Y241 HydrophobicContact CE1-CE1 3.64Å; H142-Y241 HydrophobicContact CB-CE1 4.15Å; H142-Y241 AromaticContact CE1-CD2 3.99Å; H142-Y241 AromaticContact CE1-CE2 3.61Å; H142-Y241 AromaticContact ND1-CD2 3.53Å; H142-Y241 AromaticContact ND1-CE1 3.77Å; H142-Y241 AromaticContact ND1-CE2 3.17Å; H142-Y241 WeakPolarHBondContact ND1-CE2 3.47Å; H142-Y241 AromaticContact ND1-CG 3.96Å; H142-Y241 AromaticContact ND1-CZ 3.31Å; H142-Y241 VanDerWaalsContact ND1-CZ 3.31Å; H142-Y241 PolarHBondContact O-OH 3.49Å; T145-Y241 WeakPolarHBondContact CB-OH 3.36Å; T145-Y241 WeakPolarHBondContact OG1-CE1 3.38Å; T145-Y241 PolarHBondContact OG1-OH 3.45Å; V146-Y241 PolarHBondContact N-OH 3.14Å; V146-Y241 VanDerWaalsContact N-OH 3.16Å; M204-Y241 WeakPolarHBondContact SD-CB 3.4Å; M204-Y241 HydrophobicContact SD-CD2 3.6Å; M204-Y241 HydrophobicContact SD-CG 4Å; M237-Y241 HydrophobicContact CE-CE2 4.27Å; M237-Y241 HydrophobicContact CG-CD2 4.06Å; M237-Y241 HydrophobicContact CG-CE1 3.98Å; M237-Y241 HydrophobicContact CG-CE2 3.4Å; M237-Y241 WeakPolarHBondContact CG-OH 3.38Å; M237-Y241 VanDerWaalsContact O-CG 3.3Å; M237-Y241 PolarHBondContact O-N 3.46Å; M237-Y241 HydrophobicContact SD-CE2 3.74Å; M237-Y241 PolarHBondContact SD-OH 3.4Å; Y238-Y241 PolarHBondContact O-N 3.42Å; L239-Y241 VanDerWaalsContact C-N 3.33Å; L239-Y241 PolarHBondContact O-N 3.22Å; Y241-V243 VanDerWaalsContact C-N 3.33Å; Y241-V243 PolarHBondContact O-N 3.08Å; Y241-L244 PolarHBondContact O-N 3.03Å; Y241-F245 WeakPolarHBondContact O-CB 3.5Å; Y241-F245 VanDerWaalsContact O-CD2 3.29Å; Y241-F245 WeakPolarHBondContact O-CD2 3.32Å; Y241-F245 PolarHBondContact O-N 3.28Å |
| 242 | F | 97.9 | Very high | 96.2 | Very high | 56 Ų | 56 | 53.9 Ų | 53.9 | 25% | 0.246 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -54.2 | -50.9 | 176.1 | 175.2 | -106.4 | 0 | 0 | 0 | 111.3 | I201 M204 L205 Y238 L239 L244 F245 C246 | I201-F242 HydrophobicContact CG2-CD2 3.99Å; I201-F242 HydrophobicContact CG2-CE2 3.65Å; M204-F242 HydrophobicContact CB-CB 3.76Å; M204-F242 HydrophobicContact CB-CD2 4.28Å; M204-F242 HydrophobicContact CG-CB 4.48Å; L205-F242 HydrophobicContact CD1-CE2 3.79Å; L205-F242 HydrophobicContact CD1-CZ 4.49Å; L205-F242 HydrophobicContact CD2-CD2 3.67Å; L205-F242 HydrophobicContact CD2-CE1 4.29Å; L205-F242 HydrophobicContact CD2-CE2 3.29Å; L205-F242 HydrophobicContact CD2-CG 4.32Å; L205-F242 HydrophobicContact CD2-CZ 3.64Å; L205-F242 HydrophobicContact CG-CD2 3.69Å; L205-F242 HydrophobicContact CG-CE2 3.39Å; L205-F242 HydrophobicContact CG-CZ 4.21Å; Y238-F242 WeakPolarHBondContact O-CB 3.45Å; Y238-F242 PolarHBondContact O-N 3.39Å; L239-F242 WeakPolarHBondContact O-CB 3.36Å; L239-F242 PolarHBondContact O-N 3.27Å; F242-L244 PolarHBondContact O-N 3.41Å; F242-F245 PolarHBondContact O-N 3.06Å; F242-C246 VanDerWaalsContact CE2-SG 3.58Å; F242-C246 WeakPolarHBondContact O-CB 3.46Å; F242-C246 PolarHBondContact O-N 3.17Å; F242-C246 PolarHBondContact O-SG 3Å |
| 243 | V | 97.9 | Very high | 96 | Very high | 80 Ų | 80 | 51.6 Ų | 51.6 | 49% | 0.485 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -60.1 | -48.1 | 178.4 | 173.9 | 0 | 0 | 0 | 0 | 111 | L239 S240 Y241 F245 C246 Q247 | L239-V243 WeakPolarHBondContact O-CG2 3.22Å; L239-V243 PolarHBondContact O-N 3.02Å; L239-V243 VanDerWaalsContact O-N 3.09Å; S240-V243 PolarHBondContact O-N 2.71Å; Y241-V243 VanDerWaalsContact C-N 3.33Å; Y241-V243 PolarHBondContact O-N 3.08Å; V243-F245 PolarHBondContact O-N 2.96Å; V243-C246 PolarHBondContact O-N 3.19Å; V243-Q247 WeakPolarHBondContact O-CB 3.33Å; V243-Q247 PolarHBondContact O-N 3.36Å |
| 244 | L | 97.3 | Very high | 95.8 | Very high | 28 Ų | 28 | 47.4 Ų | 47.4 | 15% | 0.147 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -65.8 | -37.7 | -177.9 | -69.4 | 169.6 | 0 | 0 | 0 | 113 | F137 L138 Y141 S240 Y241 F242 F248 | F137-L244 HydrophobicContact CD1-CD1 4.35Å; F137-L244 HydrophobicContact CD1-CD2 3.94Å; F137-L244 HydrophobicContact CE1-CD1 3.98Å; F137-L244 HydrophobicContact CE1-CD2 4Å; L138-L244 HydrophobicContact CD1-CB 3.46Å; L138-L244 VanDerWaalsContact CD1-CB 3.46Å; L138-L244 HydrophobicContact CD1-CD1 4.01Å; L138-L244 HydrophobicContact CD1-CG 4.36Å; L138-L244 HydrophobicContact CG-CB 4.35Å; Y141-L244 HydrophobicContact CD1-CD1 3.62Å; Y141-L244 HydrophobicContact CE1-CD1 3.81Å; S240-L244 WeakPolarHBondContact O-CB 3.14Å; S240-L244 VanDerWaalsContact O-CG 3.25Å; S240-L244 WeakPolarHBondContact O-CG 3.38Å; S240-L244 PolarHBondContact O-N 2.82Å; Y241-L244 PolarHBondContact O-N 3.03Å; F242-L244 PolarHBondContact O-N 3.41Å; L244-F248 VanDerWaalsContact O-CB 3.31Å; L244-F248 WeakPolarHBondContact O-CB 3.22Å; L244-F248 PolarHBondContact O-N 2.91Å |
| 245 | F | 96.4 | Very high | 95.5 | Very high | 19 Ų | 19 | 49.9 Ų | 49.9 | 8% | 0.083 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -71.1 | -38 | 175.7 | -87.9 | -74.6 | 0 | 0 | 0 | 112.1 | L138 T197 Q200 I201 M204 Y241 F242 V243 F248 F249 | L138-F245 HydrophobicContact CD1-CD2 4.08Å; L138-F245 HydrophobicContact CD1-CE2 3.97Å; L138-F245 HydrophobicContact CD1-CZ 4.39Å; L138-F245 HydrophobicContact CD2-CD1 3.96Å; L138-F245 HydrophobicContact CD2-CD2 4.44Å; L138-F245 HydrophobicContact CD2-CE1 3.97Å; L138-F245 HydrophobicContact CD2-CE2 4.46Å; L138-F245 HydrophobicContact CD2-CG 4.19Å; L138-F245 HydrophobicContact CD2-CZ 4.24Å; T197-F245 HydrophobicContact CG2-CD1 4.41Å; Q200-F245 HydrophobicContact CB-CD1 4.08Å; Q200-F245 HydrophobicContact CB-CE1 3.95Å; Q200-F245 HydrophobicContact CB-CZ 4.26Å; Q200-F245 HydrophobicContact CG-CE1 4.27Å; Q200-F245 HydrophobicContact CG-CZ 4.48Å; I201-F245 HydrophobicContact CG1-CB 3.71Å; M204-F245 HydrophobicContact CG-CD2 4.41Å; Y241-F245 WeakPolarHBondContact O-CB 3.5Å; Y241-F245 VanDerWaalsContact O-CD2 3.29Å; Y241-F245 WeakPolarHBondContact O-CD2 3.32Å; Y241-F245 PolarHBondContact O-N 3.28Å; F242-F245 PolarHBondContact O-N 3.06Å; V243-F245 PolarHBondContact O-N 2.96Å; F245-F248 PolarHBondContact O-N 3.49Å; F245-F249 WeakPolarHBondContact O-CB 3.38Å; F245-F249 PolarHBondContact O-N 3.24Å |
| 246 | C | 97 | Very high | 95 | Very high | 46 Ų | 46 | 54.2 Ų | 54.2 | 31% | 0.311 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -61.8 | -45.5 | 172.5 | -75.8 | 0 | 0 | 0 | 0 | 111.4 | F242 V243 F249 H250 | F242-C246 VanDerWaalsContact CE2-SG 3.58Å; F242-C246 WeakPolarHBondContact O-CB 3.46Å; F242-C246 PolarHBondContact O-N 3.17Å; F242-C246 PolarHBondContact O-SG 3Å; V243-C246 PolarHBondContact O-N 3.19Å; C246-F249 PolarHBondContact O-N 3.44Å; C246-H250 PolarHBondContact O-N 2.81Å |
| 247 | Q | 96.6 | Very high | 94.4 | Very high | 102 Ų | 102 | 52.4 Ų | 52.4 | 48% | 0.477 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -60.3 | -48.6 | 174.1 | -178.4 | -178.8 | -12.1 | 0 | 0 | 111.2 | V243 F249 H250 E251 | V243-Q247 WeakPolarHBondContact O-CB 3.33Å; V243-Q247 PolarHBondContact O-N 3.36Å; Q247-F249 VanDerWaalsContact C-N 3.28Å; Q247-F249 PolarHBondContact O-N 2.94Å; Q247-H250 PolarHBondContact O-N 2.66Å; Q247-E251 WeakPolarHBondContact CG-OE1 3.22Å; Q247-E251 PolarHBondContact NE2-OE1 3.4Å; Q247-E251 WeakPolarHBondContact O-CG 3.39Å; Q247-E251 PolarHBondContact O-N 3.39Å |
| 248 | F | 95.6 | Very high | 93.8 | Very high | 65 Ų | 65 | 57.8 Ų | 57.8 | 29% | 0.285 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -57.6 | -42.2 | 176.5 | 171.8 | -98.5 | 0 | 0 | 0 | 111.9 | I136 L138 T197 L244 F245 E251 A252 Y253 | I136-F248 HydrophobicContact CD1-CD2 4.14Å; I136-F248 HydrophobicContact CD1-CE2 4.17Å; L138-F248 HydrophobicContact CD2-CB 3.88Å; L138-F248 HydrophobicContact CD2-CG 4.19Å; T197-F248 HydrophobicContact CG2-CD1 3.77Å; T197-F248 HydrophobicContact CG2-CE1 3.95Å; L244-F248 VanDerWaalsContact O-CB 3.31Å; L244-F248 WeakPolarHBondContact O-CB 3.22Å; L244-F248 PolarHBondContact O-N 2.91Å; F245-F248 PolarHBondContact O-N 3.49Å; F248-E251 PolarHBondContact O-N 2.98Å; F248-A252 HydrophobicContact CE1-CB 4.28Å; F248-A252 HydrophobicContact CE2-CB 4.2Å; F248-A252 HydrophobicContact CZ-CB 4.06Å; F248-A252 WeakPolarHBondContact O-CB 3.45Å; F248-A252 PolarHBondContact O-N 3.36Å; F248-Y253 HydrophobicContact CE1-CE2 4.4Å |
| 249 | F | 95.3 | Very high | 93.3 | Very high | 34 Ų | 34 | 64.7 Ų | 64.7 | 15% | 0.149 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -62.5 | -45.1 | 178.5 | -174.8 | -86 | 0 | 0 | 0 | 111.6 | M194 T197 L198 I201 F245 C246 Q247 Y253 I254 | M194-F249 HydrophobicContact CG-CE2 3.49Å; M194-F249 VanDerWaalsContact CG-CE2 3.49Å; M194-F249 HydrophobicContact CG-CZ 3.76Å; M194-F249 HydrophobicContact SD-CZ 4.23Å; T197-F249 HydrophobicContact CG2-CB 4.2Å; T197-F249 HydrophobicContact CG2-CD2 3.82Å; L198-F249 HydrophobicContact CD1-CE2 4.46Å; L198-F249 HydrophobicContact CD2-CD2 4.21Å; L198-F249 HydrophobicContact CD2-CE2 3.6Å; L198-F249 HydrophobicContact CD2-CZ 3.88Å; L198-F249 HydrophobicContact CG-CE2 3.76Å; L198-F249 HydrophobicContact CG-CZ 4.3Å; I201-F249 HydrophobicContact CD1-CB 3.91Å; I201-F249 HydrophobicContact CD1-CD2 4.2Å; I201-F249 HydrophobicContact CD1-CG 4.18Å; F245-F249 WeakPolarHBondContact O-CB 3.38Å; F245-F249 PolarHBondContact O-N 3.24Å; C246-F249 PolarHBondContact O-N 3.44Å; Q247-F249 VanDerWaalsContact C-N 3.28Å; Q247-F249 PolarHBondContact O-N 2.94Å; F249-Y253 HydrophobicContact CB-CD2 4.45Å; F249-Y253 AromaticContact CD2-CD2 3.51Å; F249-Y253 HydrophobicContact CD2-CD2 3.51Å; F249-Y253 AromaticContact CD2-CE2 3.94Å; F249-Y253 HydrophobicContact CD2-CE2 3.94Å; F249-Y253 HydrophobicContact CD2-CG 4.48Å; F249-Y253 AromaticContact CE2-CD2 3.77Å; F249-Y253 HydrophobicContact CE2-CD2 3.77Å; F249-Y253 HydrophobicContact CE2-CE2 4.29Å; F249-Y253 HydrophobicContact CE2-CG 4.39Å; F249-Y253 AromaticContact CG-CD2 3.94Å; F249-Y253 HydrophobicContact CG-CD2 3.94Å; F249-Y253 HydrophobicContact CZ-CD2 4.39Å; F249-Y253 WeakPolarHBondContact O-CB 3.43Å; F249-Y253 WeakPolarHBondContact O-CD2 3.45Å; F249-Y253 PolarHBondContact O-N 3.47Å; F249-I254 HydrophobicContact CD1-CD1 4.28Å; F249-I254 HydrophobicContact CD1-CG1 4.41Å; F249-I254 HydrophobicContact CE1-CD1 4.24Å; F249-I254 HydrophobicContact CE1-CG1 4.25Å |
| 250 | H | 94.4 | Very high | 92.7 | Very high | 78 Ų | 78 | 62.6 Ų | 62.6 | 36% | 0.361 | 32% | 0.315 | S | S | . | . | I | π-helix | trans | -58.8 | -52.2 | 176.8 | -171.6 | -83.6 | 0 | 0 | 0 | 111.3 | C246 Q247 A252 I254 D255 | C246-H250 PolarHBondContact O-N 2.81Å; Q247-H250 PolarHBondContact O-N 2.66Å; H250-A252 PolarHBondContact O-N 3.17Å; H250-I254 WeakPolarHBondContact O-CA 3.45Å; H250-I254 WeakPolarHBondContact O-CB 3.07Å; H250-I254 PolarHBondContact O-N 3.47Å; H250-D255 VanDerWaalsContact CE1-CG 3.47Å; H250-D255 IonicContact CE1-OD1 3.7Å; H250-D255 PolarHBondContact CE1-OD1 2.68Å; H250-D255 IonicContact CE1-OD2 3.51Å; H250-D255 PolarHBondContact CE1-OD2 2.88Å; H250-D255 IonicContact ND1-OD1 3.94Å; H250-D255 IonicContact ND1-OD2 3.35Å; H250-D255 PolarHBondContact ND1-OD2 3.31Å; H250-D255 IonicContact NE2-OD1 3.03Å; H250-D255 PolarHBondContact O-N 3.09Å |
| 251 | E | 92.4 | Very high | 92.2 | Very high | 99 Ų | 99 | 65.5 Ų | 65.5 | 46% | 0.463 | 33% | 0.332 | S | S | . | . | I | π-helix | trans | -65 | -42.1 | -178.7 | -68.6 | 178 | -164.5 | 0 | 0 | 112.7 | Q247 F248 | Q247-E251 WeakPolarHBondContact CG-OE1 3.22Å; Q247-E251 PolarHBondContact NE2-OE1 3.4Å; Q247-E251 WeakPolarHBondContact O-CG 3.39Å; Q247-E251 PolarHBondContact O-N 3.39Å; F248-E251 PolarHBondContact O-N 2.98Å |
| 252 | A | 90.9 | Very high | 91.7 | Very high | 17 Ų | 17 | 67.5 Ų | 67.5 | 14% | 0.14 | 35% | 0.349 | C | S | . | . | I | π-helix | trans | -80.4 | -32.9 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | R190 F248 H250 K256 | R190-A252 PolarHBondContact NH2-O 3.02Å; F248-A252 HydrophobicContact CE1-CB 4.28Å; F248-A252 HydrophobicContact CE2-CB 4.2Å; F248-A252 HydrophobicContact CZ-CB 4.06Å; F248-A252 WeakPolarHBondContact O-CB 3.45Å; F248-A252 PolarHBondContact O-N 3.36Å; H250-A252 PolarHBondContact O-N 3.17Å; A252-K256 WeakPolarHBondContact O-CD 2.96Å |
| 253 | Y | 92.2 | Very high | 91.3 | Very high | 22 Ų | 22 | 67.3 Ų | 67.3 | 9% | 0.086 | 36% | 0.358 | C | S | . | . | I | π-helix | trans | -115.5 | -42.6 | -171.2 | -59.1 | -70.1 | 0 | 0 | 0 | 114.1 | R190 A193 M194 T197 F248 F249 T257 | R190-Y253 HydrophobicContact CG-CD1 4.46Å; R190-Y253 HydrophobicContact CG-CE1 4.33Å; R190-Y253 PolarHBondContact NH2-O 2.84Å; A193-Y253 PolarHBondContact O-OH 3.34Å; A193-Y253 VanDerWaalsContact O-OH 3.04Å; M194-Y253 HydrophobicContact CB-CD1 4.09Å; M194-Y253 HydrophobicContact CB-CE1 3.91Å; M194-Y253 HydrophobicContact CE-CD1 3.94Å; M194-Y253 HydrophobicContact CE-CG 4.04Å; M194-Y253 HydrophobicContact CG-CD1 4.37Å; M194-Y253 HydrophobicContact CG-CG 4.34Å; M194-Y253 PolarHBondContact N-OH 3.46Å; T197-Y253 HydrophobicContact CG2-CE2 4.15Å; T197-Y253 WeakPolarHBondContact OG1-CE2 3.46Å; T197-Y253 PolarHBondContact OG1-OH 3.03Å; F248-Y253 HydrophobicContact CE1-CE2 4.4Å; F249-Y253 HydrophobicContact CB-CD2 4.45Å; F249-Y253 AromaticContact CD2-CD2 3.51Å; F249-Y253 HydrophobicContact CD2-CD2 3.51Å; F249-Y253 AromaticContact CD2-CE2 3.94Å; F249-Y253 HydrophobicContact CD2-CE2 3.94Å; F249-Y253 HydrophobicContact CD2-CG 4.48Å; F249-Y253 AromaticContact CE2-CD2 3.77Å; F249-Y253 HydrophobicContact CE2-CD2 3.77Å; F249-Y253 HydrophobicContact CE2-CE2 4.29Å; F249-Y253 HydrophobicContact CE2-CG 4.39Å; F249-Y253 AromaticContact CG-CD2 3.94Å; F249-Y253 HydrophobicContact CG-CD2 3.94Å; F249-Y253 HydrophobicContact CZ-CD2 4.39Å; F249-Y253 WeakPolarHBondContact O-CB 3.43Å; F249-Y253 WeakPolarHBondContact O-CD2 3.45Å; F249-Y253 PolarHBondContact O-N 3.47Å; Y253-T257 VanDerWaalsContact O-CB 3.27Å; Y253-T257 WeakPolarHBondContact O-CB 3.34Å; Y253-T257 PolarHBondContact O-N 2.9Å; Y253-T257 PolarHBondContact O-OG1 2.89Å |
| 254 | I | 91.5 | Very high | 90.9 | Very high | 62 Ų | 62 | 71.3 Ų | 71.3 | 32% | 0.318 | 37% | 0.369 | S | S | . | . | I | π-helix | trans | -80.7 | -57.7 | -175.5 | -58.5 | -178.4 | 0 | 0 | 0 | 109.8 | F249 H250 K256 T257 K258 | F249-I254 HydrophobicContact CD1-CD1 4.28Å; F249-I254 HydrophobicContact CD1-CG1 4.41Å; F249-I254 HydrophobicContact CE1-CD1 4.24Å; F249-I254 HydrophobicContact CE1-CG1 4.25Å; H250-I254 WeakPolarHBondContact O-CA 3.45Å; H250-I254 WeakPolarHBondContact O-CB 3.07Å; H250-I254 PolarHBondContact O-N 3.47Å; I254-K256 PolarHBondContact O-N 3.31Å; I254-T257 PolarHBondContact O-N 3.07Å; I254-K258 HydrophobicContact CG2-CD 4.15Å; I254-K258 PolarHBondContact O-N 3.14Å |
| 255 | D | 90.3 | Very high | 90.5 | Very high | 51 Ų | 51 | 72.9 Ų | 72.9 | 27% | 0.273 | 39% | 0.386 | S | S | . | . | I | π-helix | trans | -63.4 | -41.6 | -174.9 | -70.1 | -28.5 | 0 | 0 | 0 | 112.6 | H250 T257 K258 K259 | H250-D255 VanDerWaalsContact CE1-CG 3.47Å; H250-D255 IonicContact CE1-OD1 3.7Å; H250-D255 PolarHBondContact CE1-OD1 2.68Å; H250-D255 IonicContact CE1-OD2 3.51Å; H250-D255 PolarHBondContact CE1-OD2 2.88Å; H250-D255 IonicContact ND1-OD1 3.94Å; H250-D255 IonicContact ND1-OD2 3.35Å; H250-D255 PolarHBondContact ND1-OD2 3.31Å; H250-D255 IonicContact NE2-OD1 3.03Å; H250-D255 PolarHBondContact O-N 3.09Å; D255-T257 VanDerWaalsContact C-N 3.28Å; D255-T257 PolarHBondContact O-N 3.19Å; D255-K258 PolarHBondContact O-N 2.05Å; D255-K259 WeakPolarHBondContact O-CB 3.48Å; D255-K259 WeakPolarHBondContact O-CG 3.02Å; D255-K259 PolarHBondContact O-N 3.49Å |
| 256 | K | 84.1 | Confident | 90.3 | Very high | 131 Ų | 131 | 78.4 Ų | 78.4 | 57% | 0.57 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -62.1 | -36.5 | 175.3 | -73.8 | -169.4 | -173.5 | 174.2 | 0 | 112.6 | A252 I254 A260 | A252-K256 WeakPolarHBondContact O-CD 2.96Å; I254-K256 PolarHBondContact O-N 3.31Å; K256-A260 VanDerWaalsContact O-CB 3.32Å; K256-A260 WeakPolarHBondContact O-CB 3.27Å; K256-A260 PolarHBondContact O-N 3.44Å |
| 257 | T | 85.1 | Confident | 90 | Very high | 58 Ų | 58 | 79.2 Ų | 79.2 | 36% | 0.356 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -72.6 | -43.8 | 179 | -57.6 | 0 | 0 | 0 | 0 | 110.4 | R190 Y253 I254 D255 K259 A260 T261 | R190-T257 PolarHBondContact NH1-OG1 3.37Å; R190-T257 PolarHBondContact NH2-OG1 3.27Å; R190-T257 VanDerWaalsContact NH2-OG1 3.13Å; Y253-T257 VanDerWaalsContact O-CB 3.27Å; Y253-T257 WeakPolarHBondContact O-CB 3.34Å; Y253-T257 PolarHBondContact O-N 2.9Å; Y253-T257 PolarHBondContact O-OG1 2.89Å; I254-T257 PolarHBondContact O-N 3.07Å; D255-T257 VanDerWaalsContact C-N 3.28Å; D255-T257 PolarHBondContact O-N 3.19Å; T257-K259 PolarHBondContact O-N 3.08Å; T257-A260 PolarHBondContact O-N 3.4Å; T257-T261 PolarHBondContact O-N 3.21Å; T257-T261 PolarHBondContact O-OG1 2.97Å; T257-T261 VanDerWaalsContact O-OG1 3.06Å |
| 258 | K | 84.3 | Confident | 89.7 | Confident | 125 Ų | 125 | 76.9 Ų | 76.9 | 54% | 0.543 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -56 | -49.4 | 173.8 | -71.7 | 178.2 | 177.5 | 174.4 | 0 | 111.8 | I254 D255 A260 T261 A262 | I254-K258 HydrophobicContact CG2-CD 4.15Å; I254-K258 PolarHBondContact O-N 3.14Å; D255-K258 PolarHBondContact O-N 2.05Å; K258-A260 PolarHBondContact O-N 2.9Å; K258-T261 PolarHBondContact O-N 2.99Å; K258-A262 WeakPolarHBondContact O-CB 3.32Å; K258-A262 PolarHBondContact O-N 2.94Å |
| 259 | K | 86.3 | Confident | 89.4 | Confident | 159 Ų | 159 | 76.2 Ų | 76.2 | 69% | 0.691 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -61.3 | -42.2 | 177.7 | -72 | 179.9 | -179.3 | -175.8 | 0 | 112.7 | D255 T257 A262 A263 | D255-K259 WeakPolarHBondContact O-CB 3.48Å; D255-K259 WeakPolarHBondContact O-CG 3.02Å; D255-K259 PolarHBondContact O-N 3.49Å; T257-K259 PolarHBondContact O-N 3.08Å; K259-A262 PolarHBondContact O-N 3.24Å; K259-A263 WeakPolarHBondContact O-CB 3.42Å; K259-A263 PolarHBondContact O-N 3Å |
| 260 | A | 85 | Confident | 89.1 | Confident | 51 Ų | 51 | 77.2 Ų | 77.2 | 42% | 0.421 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -65.6 | -38.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | K256 T257 K258 K264 | K256-A260 VanDerWaalsContact O-CB 3.32Å; K256-A260 WeakPolarHBondContact O-CB 3.27Å; K256-A260 PolarHBondContact O-N 3.44Å; T257-A260 PolarHBondContact O-N 3.4Å; K258-A260 PolarHBondContact O-N 2.9Å; A260-K264 WeakPolarHBondContact O-CG 3.24Å; A260-K264 PolarHBondContact O-N 3.37Å; A260-K264 VanDerWaalsContact O-N 3.17Å |
| 261 | T | 87.5 | Confident | 88.7 | Confident | 89 Ų | 89 | 76.4 Ų | 76.4 | 55% | 0.546 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -67.7 | -44.5 | 175.7 | -58.5 | 0 | 0 | 0 | 0 | 111.5 | T257 K258 K264 A265 | T257-T261 PolarHBondContact O-N 3.21Å; T257-T261 PolarHBondContact O-OG1 2.97Å; T257-T261 VanDerWaalsContact O-OG1 3.06Å; K258-T261 PolarHBondContact O-N 2.99Å; T261-K264 PolarHBondContact O-N 3.48Å; T261-A265 PolarHBondContact O-N 2.96Å |
| 262 | A | 88.5 | Confident | 88.4 | Confident | 46 Ų | 46 | 81.3 Ų | 81.3 | 38% | 0.38 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -59.7 | -48.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | K258 K259 K264 A265 E266 | K258-A262 WeakPolarHBondContact O-CB 3.32Å; K258-A262 PolarHBondContact O-N 2.94Å; K259-A262 PolarHBondContact O-N 3.24Å; A262-K264 VanDerWaalsContact C-N 3.28Å; A262-K264 PolarHBondContact O-N 3.02Å; A262-A265 WeakPolarHBondContact O-CB 3.42Å; A262-A265 PolarHBondContact O-N 3.28Å; A262-E266 WeakPolarHBondContact O-CG 3.13Å; A262-E266 PolarHBondContact O-N 3.49Å |
| 263 | A | 89.1 | Confident | 87.8 | Confident | 52 Ų | 52 | 89.2 Ų | 89.2 | 43% | 0.43 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -59.9 | -36.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | K259 A267 | K259-A263 WeakPolarHBondContact O-CB 3.42Å; K259-A263 PolarHBondContact O-N 3Å; A263-A267 WeakPolarHBondContact O-CB 3.36Å; A263-A267 PolarHBondContact O-N 3.3Å |
| 264 | K | 89.3 | Confident | 86.8 | Confident | 163 Ų | 163 | 94.2 Ų | 94.2 | 71% | 0.709 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -67.9 | -40.2 | 174.3 | -77.6 | -177.5 | 177.2 | -169.8 | 0 | 112.4 | A260 T261 A262 A268 | A260-K264 WeakPolarHBondContact O-CG 3.24Å; A260-K264 PolarHBondContact O-N 3.37Å; A260-K264 VanDerWaalsContact O-N 3.17Å; T261-K264 PolarHBondContact O-N 3.48Å; A262-K264 VanDerWaalsContact C-N 3.28Å; A262-K264 PolarHBondContact O-N 3.02Å; K264-A268 WeakPolarHBondContact O-CB 3.29Å; K264-A268 PolarHBondContact O-N 3.22Å |
| 265 | A | 89.6 | Confident | 84.9 | Confident | 61 Ų | 61 | 102.1 Ų | 102.1 | 50% | 0.504 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -65.5 | -43.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | T261 A262 A268 A269 | T261-A265 PolarHBondContact O-N 2.96Å; A262-A265 WeakPolarHBondContact O-CB 3.42Å; A262-A265 PolarHBondContact O-N 3.28Å; A265-A268 PolarHBondContact O-N 3.42Å; A265-A269 WeakPolarHBondContact O-CB 3.46Å; A265-A269 PolarHBondContact O-N 3.44Å |
| 266 | E | 91.4 | Very high | 84.7 | Confident | 136 Ų | 136 | 104.7 Ų | 104.7 | 64% | 0.636 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -61.5 | -46.1 | 174.7 | -72.4 | 170.7 | -171.8 | 0 | 0 | 111.8 | A262 A268 A269 A270 | A262-E266 WeakPolarHBondContact O-CG 3.13Å; A262-E266 PolarHBondContact O-N 3.49Å; E266-A268 PolarHBondContact O-N 3.34Å; E266-A269 PolarHBondContact O-N 3.32Å; E266-A270 WeakPolarHBondContact O-CB 3.35Å; E266-A270 PolarHBondContact O-N 3.48Å |
| 267 | A | 90.1 | Very high | 84.7 | Confident | 62 Ų | 62 | 103.3 Ų | 103.3 | 51% | 0.512 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -62.2 | -41.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | A263 A270 A271 | A263-A267 WeakPolarHBondContact O-CB 3.36Å; A263-A267 PolarHBondContact O-N 3.3Å; A267-A270 PolarHBondContact O-N 3.04Å; A267-A271 PolarHBondContact O-N 2.82Å |
| 268 | A | 90.4 | Very high | 84.7 | Confident | 53 Ų | 53 | 105.8 Ų | 105.8 | 44% | 0.438 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -66.4 | -37.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | K264 A265 E266 R272 | K264-A268 WeakPolarHBondContact O-CB 3.29Å; K264-A268 PolarHBondContact O-N 3.22Å; A265-A268 PolarHBondContact O-N 3.42Å; E266-A268 PolarHBondContact O-N 3.34Å; A268-R272 WeakPolarHBondContact O-CG 3.29Å; A268-R272 PolarHBondContact O-N 3.14Å |
| 269 | A | 89.7 | Confident | 84.7 | Confident | 52 Ų | 52 | 104.7 Ų | 104.7 | 43% | 0.43 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -68.7 | -38.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | A265 E266 R272 | A265-A269 WeakPolarHBondContact O-CB 3.46Å; A265-A269 PolarHBondContact O-N 3.44Å; E266-A269 PolarHBondContact O-N 3.32Å; A269-R272 PolarHBondContact O-N 3.46Å |
| 270 | A | 88.3 | Confident | 84.6 | Confident | 55 Ų | 55 | 101.3 Ų | 101.3 | 46% | 0.455 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -64.8 | -45.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | E266 A267 R272 K273 T274 | E266-A270 WeakPolarHBondContact O-CB 3.35Å; E266-A270 PolarHBondContact O-N 3.48Å; A267-A270 PolarHBondContact O-N 3.04Å; A270-R272 VanDerWaalsContact C-N 3.25Å; A270-R272 PolarHBondContact O-N 3.31Å; A270-K273 PolarHBondContact O-N 3.13Å; A270-T274 PolarHBondContact O-OG1 3.22Å; A270-T274 VanDerWaalsContact O-OG1 3.1Å |
| 271 | A | 86.6 | Confident | 84.6 | Confident | 61 Ų | 61 | 104.7 Ų | 104.7 | 50% | 0.504 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -60.8 | -32.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | A267 K273 | A267-A271 PolarHBondContact O-N 2.82Å; A271-K273 VanDerWaalsContact C-N 3.32Å; A271-K273 PolarHBondContact O-N 3.04Å |
| 272 | R | 85.6 | Confident | 84.3 | Confident | 202 Ų | 202 | 105.8 Ų | 105.8 | 76% | 0.762 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -72.7 | -19.1 | 176 | -74.5 | 178.1 | 179.6 | -174.5 | -0.7 | 114.4 | A268 A269 A270 | A268-R272 WeakPolarHBondContact O-CG 3.29Å; A268-R272 PolarHBondContact O-N 3.14Å; A269-R272 PolarHBondContact O-N 3.46Å; A270-R272 VanDerWaalsContact C-N 3.25Å; A270-R272 PolarHBondContact O-N 3.31Å |
| 273 | K | 79.2 | Confident | 84 | Confident | 182 Ų | 182 | 110.4 Ų | 110.4 | 79% | 0.791 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.5 | -7.5 | 178.4 | -70.6 | -178.5 | 177.6 | -175.9 | 0 | 113.1 | A270 A271 | A270-K273 PolarHBondContact O-N 3.13Å; A271-K273 VanDerWaalsContact C-N 3.32Å; A271-K273 PolarHBondContact O-N 3.04Å |
| 274 | T | 70.8 | Confident | 83.6 | Confident | 127 Ų | 127 | 115.3 Ų | 115.3 | 78% | 0.779 | 63% | 0.632 | S | S | * | * | trans | -102.7 | -2.5 | -178.4 | -27.8 | 0 | 0 | 0 | 0 | 112.7 | A270 | A270-T274 PolarHBondContact O-OG1 3.22Å; A270-T274 VanDerWaalsContact O-OG1 3.1Å | ||
| 275 | Q | 52.3 | Low | 83.1 | Confident | 229 Ų | 229 | 110.9 Ų | 110.9 | 100% | 1.07 | 63% | 0.626 | S | S | * | * | trans | -98.8 | 0 | 165.7 | -81.6 | -177.1 | -33 | 0 | 0 | 109.5 |
Retrieved 275 of 275 residues in 199.6 ms
(Link to these results)