| 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 | 71.5 | Confident | 86.4 | Confident | 92 Ų | 92 | 83.5 Ų | 83.5 | 45% | 0.453 | 44% | 0.438 | S | S | . | . | 0 | -48 | 0 | -175.3 | 173.2 | -77 | 0 | 0 | 111.4 | D3 N32 V63 V103 | M1-D3 VanDerWaalsContact C-N 3.33Å; M1-D3 PolarHBondContact O-N 2.69Å; M1-N32 WeakPolarHBondContact CE-OD1 3.41Å; M1-N32 HydrophobicContact SD-CB 4.08Å; M1-N32 PolarHBondContact SD-OD1 3.4Å; M1-V63 HydrophobicContact CE-CG1 3.49Å; M1-V63 VanDerWaalsContact CE-CG1 3.49Å; M1-V63 HydrophobicContact SD-CG1 3.85Å; M1-V63 HydrophobicContact SD-CG2 4.48Å; M1-V103 HydrophobicContact CE-CG2 3.67Å | |||
| 2 | C | 79.7 | Confident | 87 | Confident | 9 Ų | 9 | 80.3 Ų | 80.3 | 6% | 0.061 | 42% | 0.421 | C | S | . | . | trans | -72.5 | -19.3 | -178 | -165.2 | 0 | 0 | 0 | 0 | 114.8 | D4 S5 N8 C36 K39 | C2-D4 VanDerWaalsContact C-N 3.34Å; C2-D4 PolarHBondContact O-N 3.36Å; C2-S5 WeakPolarHBondContact O-CB 3.44Å; C2-S5 PolarHBondContact O-N 3.36Å; C2-N8 PolarHBondContact O-ND2 2.79Å; C2-C36 WeakPolarHBondContact CA-SG 3.41Å; C2-C36 HydrophobicContact CB-CB 4.32Å; C2-C36 VanDerWaalsContact SG-CB 3.55Å; C2-K39 HydrophobicContact CB-CD 4.2Å | ||
| 3 | D | 81 | Confident | 87.2 | Confident | 129 Ų | 129 | 85.9 Ų | 85.9 | 69% | 0.69 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | -40 | -170.9 | -53.2 | -37.7 | 0 | 0 | 0 | 113.5 | M1 N8 | M1-D3 VanDerWaalsContact C-N 3.33Å; M1-D3 PolarHBondContact O-N 2.69Å; D3-N8 PolarHBondContact O-ND2 3.18Å |
| 4 | D | 83.3 | Confident | 87.6 | Confident | 164 Ų | 164 | 85.5 Ų | 85.5 | 88% | 0.877 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.3 | 11.7 | 179.2 | -58.5 | -44.9 | 0 | 0 | 0 | 113.5 | C2 W6 | C2-D4 VanDerWaalsContact C-N 3.34Å; C2-D4 PolarHBondContact O-N 3.36Å; D4-W6 PolarHBondContact O-N 3.48Å |
| 5 | S | 88.6 | Confident | 88.1 | Confident | 11 Ų | 11 | 82.9 Ų | 82.9 | 8% | 0.077 | 42% | 0.423 | C | S | . | . | trans | -70.4 | 132.2 | -178.7 | -173.9 | 0 | 0 | 0 | 0 | 111.4 | C2 L7 N8 | C2-S5 WeakPolarHBondContact O-CB 3.44Å; C2-S5 PolarHBondContact O-N 3.36Å; S5-L7 PolarHBondContact O-N 3.42Å; S5-L7 WeakPolarHBondContact OG-CB 3.43Å; S5-L7 PolarHBondContact OG-N 3Å; S5-N8 VanDerWaalsContact O-CB 3.29Å; S5-N8 WeakPolarHBondContact O-CB 3.44Å; S5-N8 PolarHBondContact O-N 3.04Å | ||
| 6 | W | 92.3 | Very high | 88.6 | Confident | 121 Ų | 121 | 85.2 Ų | 85.2 | 46% | 0.458 | 44% | 0.437 | S | S | . | . | G | 310 helix | trans | -54.7 | -24.4 | 171.3 | 74.1 | -90.7 | 0 | 0 | 0 | 112.6 | D4 N8 E9 S10 I12 L21 | D4-W6 PolarHBondContact O-N 3.48Å; W6-N8 PolarHBondContact O-N 3.16Å; W6-E9 PolarHBondContact O-N 3.43Å; W6-S10 PolarHBondContact O-N 3.44Å; W6-I12 HydrophobicContact CH2-CD1 4.17Å; W6-I12 HydrophobicContact CZ3-CD1 4.42Å; W6-L21 HydrophobicContact CH2-CD1 4.31Å; W6-L21 HydrophobicContact CH2-CD2 4.13Å; W6-L21 HydrophobicContact CZ2-CD1 4.17Å; W6-L21 HydrophobicContact CZ2-CD2 4.08Å |
| 7 | L | 92.4 | Very high | 89.1 | Confident | 3 Ų | 3 | 83.1 Ų | 83.1 | 2% | 0.016 | 43% | 0.431 | C | S | . | . | G | 310 helix | trans | -60.8 | -28.5 | 176 | -169.2 | 63.6 | 0 | 0 | 0 | 112 | S5 E9 S10 I12 L18 L21 A37 K40 | S5-L7 PolarHBondContact O-N 3.42Å; S5-L7 WeakPolarHBondContact OG-CB 3.43Å; S5-L7 PolarHBondContact OG-N 3Å; L7-E9 VanDerWaalsContact C-N 3.29Å; L7-E9 PolarHBondContact O-N 3.13Å; L7-S10 WeakPolarHBondContact O-CB 3.37Å; L7-S10 PolarHBondContact O-N 3.11Å; L7-S10 PolarHBondContact O-OG 3.34Å; L7-I12 HydrophobicContact CD1-CB 4.07Å; L7-I12 HydrophobicContact CD1-CD1 4.45Å; L7-I12 HydrophobicContact CD1-CG2 4.36Å; L7-L18 HydrophobicContact CD1-CD2 4.16Å; L7-L18 HydrophobicContact CD2-CD2 3.86Å; L7-L18 HydrophobicContact CG-CD2 4.39Å; L7-L21 HydrophobicContact CD1-CD2 3.47Å; L7-L21 VanDerWaalsContact CD1-CD2 3.47Å; L7-L21 HydrophobicContact CD2-CD2 4.46Å; L7-A37 HydrophobicContact CD2-CB 3.96Å; L7-K40 HydrophobicContact CD2-CD 3.7Å; L7-K40 HydrophobicContact CG-CD 4Å |
| 8 | N | 89.7 | Confident | 89.5 | Confident | 70 Ų | 70 | 78.4 Ų | 78.4 | 37% | 0.374 | 41% | 0.407 | S | S | . | . | G | 310 helix | trans | -68.4 | -28.1 | 175.6 | -66 | -25 | 0 | 0 | 0 | 113 | C2 D3 S5 W6 K40 | C2-N8 PolarHBondContact O-ND2 2.79Å; D3-N8 PolarHBondContact O-ND2 3.18Å; S5-N8 VanDerWaalsContact O-CB 3.29Å; S5-N8 WeakPolarHBondContact O-CB 3.44Å; S5-N8 PolarHBondContact O-N 3.04Å; W6-N8 PolarHBondContact O-N 3.16Å; N8-K40 VanDerWaalsContact OD1-CE 3.27Å; N8-K40 WeakPolarHBondContact OD1-CE 3.36Å; N8-K40 PolarHBondContact OD1-NZ 2.75Å |
| 9 | E | 90.1 | Very high | 90 | Very high | 182 Ų | 182 | 75 Ų | 75 | 85% | 0.85 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90 | -11.3 | 176.6 | -58.7 | -178 | 171.6 | 0 | 0 | 112.2 | W6 L7 | W6-E9 PolarHBondContact O-N 3.43Å; L7-E9 VanDerWaalsContact C-N 3.29Å; L7-E9 PolarHBondContact O-N 3.13Å |
| 10 | S | 91 | Very high | 90.4 | Very high | 25 Ų | 25 | 75.4 Ų | 75.4 | 18% | 0.175 | 40% | 0.395 | C | S | . | . | S | Bend | trans | -78.8 | 161.8 | -179.9 | 86.8 | 0 | 0 | 0 | 0 | 112.8 | W6 L7 I12 | W6-S10 PolarHBondContact O-N 3.44Å; L7-S10 WeakPolarHBondContact O-CB 3.37Å; L7-S10 PolarHBondContact O-N 3.11Å; L7-S10 PolarHBondContact O-OG 3.34Å; S10-I12 VanDerWaalsContact C-N 3.27Å; S10-I12 PolarHBondContact OG-N 3.36Å; S10-I12 VanDerWaalsContact OG-N 3.16Å |
| 11 | S | 91 | Very high | 90.7 | Very high | 113 Ų | 113 | 72.8 Ų | 72.8 | 79% | 0.79 | 38% | 0.382 | S | S | * | . | S | Bend | trans | -82.7 | -0.4 | 169.6 | 61.1 | 0 | 0 | 0 | 0 | 113.7 | K13 | S11-K13 PolarHBondContact O-N 2.93Š|
| 12 | I | 93 | Very high | 92 | Very high | 45 Ų | 45 | 68.4 Ų | 68.4 | 23% | 0.231 | 36% | 0.36 | C | S | . | . | trans | -77.7 | 111.2 | -175.1 | -57.5 | 172.1 | 0 | 0 | 0 | 108.8 | W6 L7 S10 L18 L21 | W6-I12 HydrophobicContact CH2-CD1 4.17Å; W6-I12 HydrophobicContact CZ3-CD1 4.42Å; L7-I12 HydrophobicContact CD1-CB 4.07Å; L7-I12 HydrophobicContact CD1-CD1 4.45Å; L7-I12 HydrophobicContact CD1-CG2 4.36Å; S10-I12 VanDerWaalsContact C-N 3.27Å; S10-I12 PolarHBondContact OG-N 3.36Å; S10-I12 VanDerWaalsContact OG-N 3.16Å; I12-L18 HydrophobicContact CG2-CD2 3.9Å; I12-L18 HydrophobicContact CG2-CG 4.11Å; I12-L21 HydrophobicContact CD1-CD2 4.24Å | ||
| 13 | K | 89.5 | Confident | 92.9 | Very high | 153 Ų | 153 | 71.5 Ų | 71.5 | 67% | 0.665 | 37% | 0.372 | S | S | * | . | trans | -137.1 | -26.5 | -176.3 | -63.5 | -175.6 | -179 | -178.2 | 0 | 113.7 | S11 | S11-K13 PolarHBondContact O-N 2.93Š| ||
| 14 | D | 93.7 | Very high | 93.7 | Very high | 80 Ų | 80 | 70.4 Ų | 70.4 | 43% | 0.428 | 37% | 0.365 | S | S | . | . | S | Bend | trans | -72.3 | 150.2 | 178.6 | 64.3 | 99.6 | 0 | 0 | 0 | 111.1 | D16 S17 L18 | D14-D16 PolarHBondContact O-N 3.2Å; D14-S17 PolarHBondContact O-N 2.5Å; D14-S17 WeakPolarHBondContact OD1-CB 3.16Å; D14-S17 PolarHBondContact OD1-N 2.68Å; D14-S17 PolarHBondContact OD1-OG 2.97Å; D14-S17 WeakPolarHBondContact OD2-CB 3.36Å; D14-S17 PolarHBondContact OD2-OG 2.98Å; D14-L18 VanDerWaalsContact O-CG 3.31Å; D14-L18 WeakPolarHBondContact O-CG 3.5Å; D14-L18 PolarHBondContact O-N 3.31Å; D14-L18 VanDerWaalsContact O-N 3.08Å |
| 15 | K | 95.1 | Very high | 94.4 | Very high | 47 Ų | 47 | 63 Ų | 63 | 20% | 0.204 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -58.1 | -46.5 | -174.9 | -168 | -173.1 | -175.6 | -175.1 | 0 | 112.1 | S17 L18 I19 V41 S45 E52 | K15-S17 PolarHBondContact O-N 2.87Å; K15-L18 PolarHBondContact O-N 3.1Å; K15-I19 HydrophobicContact CG-CG1 4.4Å; K15-I19 WeakPolarHBondContact O-CG1 3.47Å; K15-I19 PolarHBondContact O-N 3.33Å; K15-V41 HydrophobicContact CG-CG1 4.11Å; K15-S45 WeakPolarHBondContact CE-OG 3.47Å; K15-S45 PolarHBondContact NZ-OG 3.23Å; K15-E52 WeakPolarHBondContact CE-OE1 3.33Å; K15-E52 WeakPolarHBondContact CE-OE2 3.5Å; K15-E52 IonicContact NZ-OE1 3.6Å; K15-E52 PolarHBondContact NZ-OE1 3.27Å; K15-E52 IonicContact NZ-OE2 3.61Å; K15-E52 PolarHBondContact NZ-OE2 2.97Å |
| 16 | D | 95.7 | Very high | 94.9 | Very high | 119 Ų | 119 | 65.4 Ų | 65.4 | 64% | 0.636 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -66 | -40.6 | -173.6 | -65.3 | -16.8 | 0 | 0 | 0 | 111.7 | D14 I19 T20 | D14-D16 PolarHBondContact O-N 3.2Å; D16-I19 PolarHBondContact O-N 2.94Å; D16-T20 WeakPolarHBondContact O-CB 3.49Å; D16-T20 PolarHBondContact O-N 3.39Å; D16-T20 PolarHBondContact O-OG1 3.48Å |
| 17 | S | 96.5 | Very high | 95.2 | Very high | 49 Ų | 49 | 67.3 Ų | 67.3 | 34% | 0.343 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -67.4 | -39.3 | 174.7 | -59.7 | 0 | 0 | 0 | 0 | 112 | D14 K15 T20 L21 | D14-S17 PolarHBondContact O-N 2.5Å; D14-S17 WeakPolarHBondContact OD1-CB 3.16Å; D14-S17 PolarHBondContact OD1-N 2.68Å; D14-S17 PolarHBondContact OD1-OG 2.97Å; D14-S17 WeakPolarHBondContact OD2-CB 3.36Å; D14-S17 PolarHBondContact OD2-OG 2.98Å; K15-S17 PolarHBondContact O-N 2.87Å; S17-T20 PolarHBondContact O-N 3.36Å; S17-L21 VanDerWaalsContact O-CB 3.3Å; S17-L21 WeakPolarHBondContact O-CB 3.24Å; S17-L21 PolarHBondContact O-N 3.17Å |
| 18 | L | 97.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 70 Ų | 70 | 0% | 0 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -64.9 | -40.7 | 175 | -70.9 | 167.2 | 0 | 0 | 0 | 112.2 | L7 I12 D14 K15 L21 A22 A37 K40 V41 | L7-L18 HydrophobicContact CD1-CD2 4.16Å; L7-L18 HydrophobicContact CD2-CD2 3.86Å; L7-L18 HydrophobicContact CG-CD2 4.39Å; I12-L18 HydrophobicContact CG2-CD2 3.9Å; I12-L18 HydrophobicContact CG2-CG 4.11Å; D14-L18 VanDerWaalsContact O-CG 3.31Å; D14-L18 WeakPolarHBondContact O-CG 3.5Å; D14-L18 PolarHBondContact O-N 3.31Å; D14-L18 VanDerWaalsContact O-N 3.08Å; K15-L18 PolarHBondContact O-N 3.1Å; L18-L21 PolarHBondContact O-N 3.42Å; L18-A22 WeakPolarHBondContact O-CB 3.27Å; L18-A22 PolarHBondContact O-N 3.29Å; L18-A37 HydrophobicContact CD2-CB 4.43Å; L18-K40 HydrophobicContact CD1-CB 3.73Å; L18-K40 HydrophobicContact CD2-CB 4.2Å; L18-K40 HydrophobicContact CD2-CD 4.2Å; L18-V41 HydrophobicContact CB-CG2 3.49Å; L18-V41 VanDerWaalsContact CB-CG2 3.49Å; L18-V41 HydrophobicContact CD1-CG2 4.05Å; L18-V41 HydrophobicContact CG-CG2 4.4Å |
| 19 | I | 98 | Very high | 95.8 | Very high | 13 Ų | 13 | 73.8 Ų | 73.8 | 7% | 0.067 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -66.1 | -42.8 | 175.5 | -69.2 | -60.2 | 0 | 0 | 0 | 111.2 | K15 D16 L21 A22 K23 M38 V41 E52 L55 | K15-I19 HydrophobicContact CG-CG1 4.4Å; K15-I19 WeakPolarHBondContact O-CG1 3.47Å; K15-I19 PolarHBondContact O-N 3.33Å; D16-I19 PolarHBondContact O-N 2.94Å; I19-L21 VanDerWaalsContact C-N 3.29Å; I19-L21 PolarHBondContact O-N 2.95Å; I19-A22 PolarHBondContact O-N 2.99Å; I19-K23 HydrophobicContact CG2-CD 4.45Å; I19-K23 WeakPolarHBondContact O-CG 3.47Å; I19-K23 PolarHBondContact O-N 2.89Å; I19-M38 HydrophobicContact CD1-CE 3.85Å; I19-M38 HydrophobicContact CD1-SD 3.77Å; I19-V41 HydrophobicContact CD1-CG1 4.01Å; I19-V41 HydrophobicContact CD1-CG2 3.88Å; I19-V41 HydrophobicContact CG1-CG2 4.2Å; I19-E52 HydrophobicContact CD1-CB 4.19Å; I19-E52 HydrophobicContact CD1-CG 3.71Å; I19-E52 HydrophobicContact CG1-CG 4.19Å; I19-L55 HydrophobicContact CD1-CD1 4.28Å; I19-L55 HydrophobicContact CG2-CD1 4.04Å |
| 20 | T | 98 | Very high | 96.2 | Very high | 82 Ų | 82 | 71.8 Ų | 71.8 | 50% | 0.503 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -59.8 | -43.6 | 174.6 | -59.1 | 0 | 0 | 0 | 0 | 110.8 | D16 S17 K23 I24 | D16-T20 WeakPolarHBondContact O-CB 3.49Å; D16-T20 PolarHBondContact O-N 3.39Å; D16-T20 PolarHBondContact O-OG1 3.48Å; S17-T20 PolarHBondContact O-N 3.36Å; T20-K23 PolarHBondContact O-N 2.98Å; T20-I24 HydrophobicContact CG2-CD1 4.34Å; T20-I24 WeakPolarHBondContact O-CG1 3.41Å; T20-I24 PolarHBondContact O-N 3.22Å; T20-I24 VanDerWaalsContact O-N 3.14Å |
| 21 | L | 97.8 | Very high | 96.5 | Very high | 22 Ų | 22 | 72.2 Ų | 72.2 | 12% | 0.115 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -63.9 | -44 | 176.6 | -177 | 64.1 | 0 | 0 | 0 | 112 | W6 L7 I12 S17 L18 I19 K23 I24 Q25 | W6-L21 HydrophobicContact CH2-CD1 4.31Å; W6-L21 HydrophobicContact CH2-CD2 4.13Å; W6-L21 HydrophobicContact CZ2-CD1 4.17Å; W6-L21 HydrophobicContact CZ2-CD2 4.08Å; L7-L21 HydrophobicContact CD1-CD2 3.47Å; L7-L21 VanDerWaalsContact CD1-CD2 3.47Å; L7-L21 HydrophobicContact CD2-CD2 4.46Å; I12-L21 HydrophobicContact CD1-CD2 4.24Å; S17-L21 VanDerWaalsContact O-CB 3.3Å; S17-L21 WeakPolarHBondContact O-CB 3.24Å; S17-L21 PolarHBondContact O-N 3.17Å; L18-L21 PolarHBondContact O-N 3.42Å; I19-L21 VanDerWaalsContact C-N 3.29Å; I19-L21 PolarHBondContact O-N 2.95Å; L21-K23 VanDerWaalsContact C-N 3.29Å; L21-K23 PolarHBondContact O-N 3.14Å; L21-I24 PolarHBondContact O-N 3.47Å; L21-I24 VanDerWaalsContact O-N 3.11Å; L21-Q25 HydrophobicContact CD1-CG 4.35Å; L21-Q25 HydrophobicContact CG-CG 4.31Å; L21-Q25 WeakPolarHBondContact O-CB 3.5Å; L21-Q25 VanDerWaalsContact O-CG 3.25Å; L21-Q25 WeakPolarHBondContact O-CG 3.42Å; L21-Q25 PolarHBondContact O-N 3.15Å; L21-Q25 PolarHBondContact O-OE1 2.9Å |
| 22 | A | 98.2 | Very high | 96.8 | Very high | 0 Ų | 0 | 70.8 Ų | 70.8 | 0% | 0 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -58.8 | -40.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | L18 I19 Q25 E26 M34 A37 M38 | L18-A22 WeakPolarHBondContact O-CB 3.27Å; L18-A22 PolarHBondContact O-N 3.29Å; I19-A22 PolarHBondContact O-N 2.99Å; A22-Q25 PolarHBondContact O-N 3.42Å; A22-E26 WeakPolarHBondContact O-CB 3.41Å; A22-E26 PolarHBondContact O-N 3.14Å; A22-M34 HydrophobicContact CB-CG 4.15Å; A22-A37 HydrophobicContact CB-CB 4.37Å; A22-M38 HydrophobicContact CB-CG 4.14Å; A22-M38 HydrophobicContact CB-SD 3.67Å |
| 23 | K | 98.5 | Very high | 96.9 | Very high | 74 Ų | 74 | 69.8 Ų | 69.8 | 32% | 0.322 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -63 | -41.6 | 174.2 | -69.8 | 174.3 | 179.8 | -176.2 | 0 | 112.2 | I19 T20 L21 E26 Q27 E51 L55 | I19-K23 HydrophobicContact CG2-CD 4.45Å; I19-K23 WeakPolarHBondContact O-CG 3.47Å; I19-K23 PolarHBondContact O-N 2.89Å; T20-K23 PolarHBondContact O-N 2.98Å; L21-K23 VanDerWaalsContact C-N 3.29Å; L21-K23 PolarHBondContact O-N 3.14Å; K23-E26 PolarHBondContact O-N 2.98Å; K23-Q27 WeakPolarHBondContact O-CG 3.39Å; K23-Q27 PolarHBondContact O-N 3.34Å; K23-E51 WeakPolarHBondContact CE-OE1 3.39Å; K23-E51 IonicContact NZ-OE1 2.75Å; K23-E51 PolarHBondContact NZ-OE1 2.84Å; K23-E51 IonicContact NZ-OE2 3.25Å; K23-E51 PolarHBondContact NZ-OE2 3.35Å; K23-L55 HydrophobicContact CG-CD1 4.02Å; K23-L55 HydrophobicContact CG-CD2 4.11Å |
| 24 | I | 98.4 | Very high | 97.3 | Very high | 106 Ų | 106 | 62.5 Ų | 62.5 | 54% | 0.544 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -64.9 | -42.6 | 175.5 | -65.2 | 165.5 | 0 | 0 | 0 | 110.6 | T20 L21 E26 Q27 A28 | T20-I24 HydrophobicContact CG2-CD1 4.34Å; T20-I24 WeakPolarHBondContact O-CG1 3.41Å; T20-I24 PolarHBondContact O-N 3.22Å; T20-I24 VanDerWaalsContact O-N 3.14Å; L21-I24 PolarHBondContact O-N 3.47Å; L21-I24 VanDerWaalsContact O-N 3.11Å; I24-E26 VanDerWaalsContact C-N 3.35Å; I24-Q27 PolarHBondContact O-N 3.4Å; I24-A28 WeakPolarHBondContact O-CB 3.46Å; I24-A28 PolarHBondContact O-N 2.83Å |
| 25 | Q | 98.2 | Very high | 97.5 | Very high | 9 Ų | 9 | 58.8 Ų | 58.8 | 4% | 0.042 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -67.1 | -34.9 | 179.9 | -70.3 | 162.3 | -27.6 | 0 | 0 | 112.3 | L21 A22 A28 E29 R30 D33 M34 | L21-Q25 HydrophobicContact CD1-CG 4.35Å; L21-Q25 HydrophobicContact CG-CG 4.31Å; L21-Q25 WeakPolarHBondContact O-CB 3.5Å; L21-Q25 VanDerWaalsContact O-CG 3.25Å; L21-Q25 WeakPolarHBondContact O-CG 3.42Å; L21-Q25 PolarHBondContact O-N 3.15Å; L21-Q25 PolarHBondContact O-OE1 2.9Å; A22-Q25 PolarHBondContact O-N 3.42Å; Q25-A28 CarbonylContact O-C 3.6Å; Q25-A28 PolarHBondContact O-N 3.25Å; Q25-E29 PolarHBondContact O-N 2.88Å; Q25-R30 HydrophobicContact CB-CB 4.35Å; Q25-R30 PolarHBondContact O-N 2.8Å; Q25-D33 HydrophobicContact CG-CB 4.08Å; Q25-D33 PolarHBondContact NE2-O 3.34Å; Q25-D33 PolarHBondContact OE1-O 2.97Å; Q25-M34 HydrophobicContact CB-CB 3.91Å; Q25-M34 HydrophobicContact CB-CG 4.33Å |
| 26 | E | 98.3 | Very high | 97.6 | Very high | 60 Ų | 60 | 56.7 Ų | 56.7 | 28% | 0.28 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -59.5 | -50.6 | 170.9 | -176.5 | -176.9 | -164.9 | 0 | 0 | 111 | A22 K23 I24 A28 E29 M34 L55 V58 | A22-E26 WeakPolarHBondContact O-CB 3.41Å; A22-E26 PolarHBondContact O-N 3.14Å; K23-E26 PolarHBondContact O-N 2.98Å; I24-E26 VanDerWaalsContact C-N 3.35Å; E26-A28 PolarHBondContact O-N 2.94Å; E26-E29 PolarHBondContact O-N 3.1Å; E26-M34 HydrophobicContact CB-CE 3.88Å; E26-M34 HydrophobicContact CB-SD 3.89Å; E26-M34 HydrophobicContact CG-CE 4.26Å; E26-M34 HydrophobicContact CG-SD 4.42Å; E26-L55 WeakPolarHBondContact OE2-CD2 3.38Å; E26-V58 HydrophobicContact CG-CG1 4.29Å |
| 27 | Q | 98.1 | Very high | 97.7 | Very high | 162 Ų | 162 | 51 Ų | 51 | 76% | 0.757 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -64.5 | -27.1 | 178.5 | -63.3 | -57.7 | -59.2 | 0 | 0 | 113 | K23 I24 E29 | K23-Q27 WeakPolarHBondContact O-CG 3.39Å; K23-Q27 PolarHBondContact O-N 3.34Å; I24-Q27 PolarHBondContact O-N 3.4Å; Q27-E29 VanDerWaalsContact C-N 3.34Å |
| 28 | A | 98 | Very high | 97.7 | Very high | 60 Ų | 60 | 48.7 Ų | 48.7 | 50% | 0.496 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | 0.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | I24 Q25 E26 R30 | I24-A28 WeakPolarHBondContact O-CB 3.46Å; I24-A28 PolarHBondContact O-N 2.83Å; Q25-A28 CarbonylContact O-C 3.6Å; Q25-A28 PolarHBondContact O-N 3.25Å; E26-A28 PolarHBondContact O-N 2.94Å; A28-R30 HydrophobicContact CB-CB 4.46Å; A28-R30 HydrophobicContact CB-CG 3.87Å; A28-R30 PolarHBondContact O-N 3.27Å; A28-R30 VanDerWaalsContact O-N 3.13Å |
| 29 | E | 97.8 | Very high | 97.6 | Very high | 149 Ų | 149 | 50.5 Ų | 50.5 | 70% | 0.696 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.8 | 28.5 | -174.5 | -57.2 | -173.6 | 146.6 | 0 | 0 | 113.6 | Q25 E26 Q27 F31 | Q25-E29 PolarHBondContact O-N 2.88Å; E26-E29 PolarHBondContact O-N 3.1Å; Q27-E29 VanDerWaalsContact C-N 3.34Å; E29-F31 VanDerWaalsContact C-N 3.28Å; E29-F31 HydrophobicContact CB-CD2 4.49Å; E29-F31 HydrophobicContact CB-CE2 3.78Å; E29-F31 HydrophobicContact CB-CZ 4.07Å; E29-F31 HydrophobicContact CG-CE2 4.28Å; E29-F31 HydrophobicContact CG-CZ 4.18Å; E29-F31 WeakPolarHBondContact O-CD2 3.48Å; E29-F31 PolarHBondContact O-N 3.32Å; E29-F31 VanDerWaalsContact O-N 3.14Å |
| 30 | R | 97.5 | Very high | 97.5 | Very high | 139 Ų | 139 | 51.9 Ų | 51.9 | 53% | 0.525 | 26% | 0.256 | S | S | . | . | trans | -89.5 | 59.6 | 178.8 | -68.3 | -75 | -63.5 | -175.2 | 2.8 | 110.2 | Q25 A28 N32 D33 M34 | Q25-R30 HydrophobicContact CB-CB 4.35Å; Q25-R30 PolarHBondContact O-N 2.8Å; A28-R30 HydrophobicContact CB-CB 4.46Å; A28-R30 HydrophobicContact CB-CG 3.87Å; A28-R30 PolarHBondContact O-N 3.27Å; A28-R30 VanDerWaalsContact O-N 3.13Å; R30-N32 VanDerWaalsContact C-N 3.31Å; R30-N32 PolarHBondContact O-N 3.12Å; R30-D33 HydrophobicContact CB-CB 4.29Å; R30-D33 IonicContact CZ-OD2 3.7Å; R30-D33 IonicContact NE-OD2 3.08Å; R30-D33 PolarHBondContact NE-OD2 3Å; R30-D33 IonicContact NH2-OD1 3.5Å; R30-D33 PolarHBondContact NH2-OD1 2.99Å; R30-D33 IonicContact NH2-OD2 2.75Å; R30-D33 PolarHBondContact NH2-OD2 3.47Å; R30-D33 WeakPolarHBondContact O-CB 3.36Å; R30-D33 PolarHBondContact O-N 2.85Å; R30-M34 PolarHBondContact O-N 3.34Å | ||
| 31 | F | 97.9 | Very high | 97.4 | Very high | 35 Ų | 35 | 48 Ų | 48 | 15% | 0.154 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -64.1 | -28.9 | -168.9 | -58.5 | -66.3 | 0 | 0 | 0 | 115 | E29 M34 A35 V58 N62 V63 | E29-F31 VanDerWaalsContact C-N 3.28Å; E29-F31 HydrophobicContact CB-CD2 4.49Å; E29-F31 HydrophobicContact CB-CE2 3.78Å; E29-F31 HydrophobicContact CB-CZ 4.07Å; E29-F31 HydrophobicContact CG-CE2 4.28Å; E29-F31 HydrophobicContact CG-CZ 4.18Å; E29-F31 WeakPolarHBondContact O-CD2 3.48Å; E29-F31 PolarHBondContact O-N 3.32Å; E29-F31 VanDerWaalsContact O-N 3.14Å; F31-M34 HydrophobicContact CD1-SD 4.03Å; F31-M34 WeakPolarHBondContact O-CB 3.39Å; F31-M34 PolarHBondContact O-N 3.45Å; F31-A35 WeakPolarHBondContact O-CB 3.3Å; F31-A35 PolarHBondContact O-N 3.01Å; F31-V58 HydrophobicContact CE1-CG1 4.27Å; F31-N62 HydrophobicContact CB-CB 3.83Å; F31-N62 HydrophobicContact CD1-CB 3.6Å; F31-N62 HydrophobicContact CD2-CB 3.42Å; F31-N62 VanDerWaalsContact CD2-CB 3.42Å; F31-N62 HydrophobicContact CE1-CB 3.95Å; F31-N62 WeakPolarHBondContact CE1-ND2 3.41Å; F31-N62 HydrophobicContact CE2-CB 3.77Å; F31-N62 HydrophobicContact CG-CB 3.31Å; F31-N62 HydrophobicContact CZ-CB 4.03Å; F31-V63 HydrophobicContact CB-CG2 3.88Å; F31-V63 WeakPolarHBondContact O-CG2 3.49Å |
| 32 | N | 96.4 | Very high | 97.3 | Very high | 83 Ų | 83 | 47 Ų | 47 | 44% | 0.444 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -63.4 | -43.6 | 172 | -68.2 | -42.6 | 0 | 0 | 0 | 111.1 | M1 R30 M34 A35 C36 V63 | M1-N32 WeakPolarHBondContact CE-OD1 3.41Å; M1-N32 HydrophobicContact SD-CB 4.08Å; M1-N32 PolarHBondContact SD-OD1 3.4Å; R30-N32 VanDerWaalsContact C-N 3.31Å; R30-N32 PolarHBondContact O-N 3.12Å; N32-M34 VanDerWaalsContact C-N 3.34Å; N32-A35 PolarHBondContact O-N 3.36Å; N32-C36 PolarHBondContact O-N 3.21Å; N32-C36 VanDerWaalsContact O-N 3.13Å; N32-C36 PolarHBondContact O-SG 3.47Å; N32-V63 WeakPolarHBondContact OD1-CG2 3.45Å |
| 33 | D | 96.9 | Very high | 97 | Very high | 24 Ų | 24 | 52.4 Ų | 52.4 | 13% | 0.128 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -68.3 | -38.3 | 177.1 | -56.2 | -28.6 | 0 | 0 | 0 | 110.6 | Q25 R30 C36 A37 | Q25-D33 HydrophobicContact CG-CB 4.08Å; Q25-D33 PolarHBondContact NE2-O 3.34Å; Q25-D33 PolarHBondContact OE1-O 2.97Å; R30-D33 HydrophobicContact CB-CB 4.29Å; R30-D33 IonicContact CZ-OD2 3.7Å; R30-D33 IonicContact NE-OD2 3.08Å; R30-D33 PolarHBondContact NE-OD2 3Å; R30-D33 IonicContact NH2-OD1 3.5Å; R30-D33 PolarHBondContact NH2-OD1 2.99Å; R30-D33 IonicContact NH2-OD2 2.75Å; R30-D33 PolarHBondContact NH2-OD2 3.47Å; R30-D33 WeakPolarHBondContact O-CB 3.36Å; R30-D33 PolarHBondContact O-N 2.85Å; D33-C36 WeakPolarHBondContact O-CB 3.16Å; D33-C36 PolarHBondContact O-N 3.5Å; D33-A37 PolarHBondContact O-N 3.24Å |
| 34 | M | 97.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -59.7 | -44.4 | 174.2 | -163.2 | -169.7 | 175.2 | 0 | 0 | 112 | A22 Q25 E26 R30 F31 N32 C36 A37 M38 L55 V58 A59 | A22-M34 HydrophobicContact CB-CG 4.15Å; Q25-M34 HydrophobicContact CB-CB 3.91Å; Q25-M34 HydrophobicContact CB-CG 4.33Å; E26-M34 HydrophobicContact CB-CE 3.88Å; E26-M34 HydrophobicContact CB-SD 3.89Å; E26-M34 HydrophobicContact CG-CE 4.26Å; E26-M34 HydrophobicContact CG-SD 4.42Å; R30-M34 PolarHBondContact O-N 3.34Å; F31-M34 HydrophobicContact CD1-SD 4.03Å; F31-M34 WeakPolarHBondContact O-CB 3.39Å; F31-M34 PolarHBondContact O-N 3.45Å; N32-M34 VanDerWaalsContact C-N 3.34Å; M34-C36 VanDerWaalsContact C-N 3.33Å; M34-C36 PolarHBondContact O-N 3.14Å; M34-A37 PolarHBondContact O-N 3.31Å; M34-M38 WeakPolarHBondContact O-CB 3.46Å; M34-M38 WeakPolarHBondContact O-CG 3.39Å; M34-M38 PolarHBondContact O-N 3.46Å; M34-L55 HydrophobicContact CE-CB 3.97Å; M34-L55 HydrophobicContact CE-CD2 3.56Å; M34-L55 HydrophobicContact CE-CG 4.39Å; M34-L55 VanDerWaalsContact CE-O 3.25Å; M34-L55 WeakPolarHBondContact CE-O 3.36Å; M34-V58 HydrophobicContact CE-CB 4.25Å; M34-V58 HydrophobicContact CE-CG1 4.14Å; M34-V58 HydrophobicContact SD-CG1 4.31Å; M34-A59 HydrophobicContact CB-CB 3.96Å; M34-A59 HydrophobicContact CE-CB 4.13Å; M34-A59 HydrophobicContact CG-CB 3.63Å; M34-A59 HydrophobicContact SD-CB 3.64Å |
| 35 | A | 97.8 | Very high | 95.8 | Very high | 1 Ų | 1 | 49.1 Ų | 49.1 | 1% | 0.008 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -63.3 | -40.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | F31 N32 M38 K39 A59 Y60 V63 | F31-A35 WeakPolarHBondContact O-CB 3.3Å; F31-A35 PolarHBondContact O-N 3.01Å; N32-A35 PolarHBondContact O-N 3.36Å; A35-M38 PolarHBondContact O-N 2.93Å; A35-K39 VanDerWaalsContact O-CB 3.31Å; A35-K39 WeakPolarHBondContact O-CB 3.45Å; A35-K39 PolarHBondContact O-N 3Å; A35-A59 HydrophobicContact CB-CB 4.32Å; A35-Y60 HydrophobicContact CB-CD1 4.13Å; A35-Y60 HydrophobicContact CB-CD2 4.43Å; A35-Y60 HydrophobicContact CB-CE1 3.93Å; A35-Y60 HydrophobicContact CB-CE2 4.2Å; A35-Y60 HydrophobicContact CB-CG 4.39Å; A35-V63 HydrophobicContact CB-CG2 4.2Å |
| 36 | C | 96.3 | Very high | 95 | Very high | 4 Ų | 4 | 55.6 Ų | 55.6 | 3% | 0.027 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -62.2 | -43.9 | 175.2 | -62.1 | 0 | 0 | 0 | 0 | 112.3 | C2 N32 D33 M34 K40 | C2-C36 WeakPolarHBondContact CA-SG 3.41Å; C2-C36 HydrophobicContact CB-CB 4.32Å; C2-C36 VanDerWaalsContact SG-CB 3.55Å; N32-C36 PolarHBondContact O-N 3.21Å; N32-C36 VanDerWaalsContact O-N 3.13Å; N32-C36 PolarHBondContact O-SG 3.47Å; D33-C36 WeakPolarHBondContact O-CB 3.16Å; D33-C36 PolarHBondContact O-N 3.5Å; M34-C36 VanDerWaalsContact C-N 3.33Å; M34-C36 PolarHBondContact O-N 3.14Å; C36-K40 PolarHBondContact O-N 2.93Å |
| 37 | A | 97.1 | Very high | 94.6 | Very high | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -63.4 | -47.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | L7 L18 A22 D33 M34 K39 K40 V41 | L7-A37 HydrophobicContact CD2-CB 3.96Å; L18-A37 HydrophobicContact CD2-CB 4.43Å; A22-A37 HydrophobicContact CB-CB 4.37Å; D33-A37 PolarHBondContact O-N 3.24Å; M34-A37 PolarHBondContact O-N 3.31Å; A37-K39 VanDerWaalsContact C-N 3.35Å; A37-K39 PolarHBondContact O-N 2.84Å; A37-K40 PolarHBondContact O-N 3.33Å; A37-V41 WeakPolarHBondContact O-CG2 3.32Å; A37-V41 PolarHBondContact O-N 3.48Å |
| 38 | M | 97.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -67.4 | -32.8 | 179.9 | -68.4 | -51.6 | -55.2 | 0 | 0 | 112.9 | I19 A22 M34 A35 V41 V42 E52 L55 F56 A59 | I19-M38 HydrophobicContact CD1-CE 3.85Å; I19-M38 HydrophobicContact CD1-SD 3.77Å; A22-M38 HydrophobicContact CB-CG 4.14Å; A22-M38 HydrophobicContact CB-SD 3.67Å; M34-M38 WeakPolarHBondContact O-CB 3.46Å; M34-M38 WeakPolarHBondContact O-CG 3.39Å; M34-M38 PolarHBondContact O-N 3.46Å; A35-M38 PolarHBondContact O-N 2.93Å; M38-V41 HydrophobicContact CE-CB 4.27Å; M38-V41 HydrophobicContact CE-CG1 4.19Å; M38-V41 WeakPolarHBondContact O-CB 3.34Å; M38-V41 PolarHBondContact O-N 3.03Å; M38-V41 HydrophobicContact SD-CG2 4.36Å; M38-V42 WeakPolarHBondContact O-CG2 3.39Å; M38-V42 PolarHBondContact O-N 3.32Å; M38-E52 VanDerWaalsContact CE-O 3.27Å; M38-E52 WeakPolarHBondContact CE-O 3.45Å; M38-L55 HydrophobicContact CE-CB 4.09Å; M38-L55 HydrophobicContact CG-CB 4.5Å; M38-L55 HydrophobicContact SD-CB 3.88Å; M38-F56 HydrophobicContact CB-CD2 4.17Å; M38-F56 HydrophobicContact CE-CB 3.91Å; M38-A59 HydrophobicContact CG-CB 4.35Å |
| 39 | K | 96.2 | Very high | 94.3 | Very high | 37 Ų | 37 | 50.1 Ų | 50.1 | 16% | 0.161 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -57 | -51.1 | 170.1 | -176.2 | 174.8 | -175.6 | 175.3 | 0 | 111.2 | C2 A35 A37 V41 V42 E43 E106 L110 | C2-K39 HydrophobicContact CB-CD 4.2Å; A35-K39 VanDerWaalsContact O-CB 3.31Å; A35-K39 WeakPolarHBondContact O-CB 3.45Å; A35-K39 PolarHBondContact O-N 3Å; A37-K39 VanDerWaalsContact C-N 3.35Å; A37-K39 PolarHBondContact O-N 2.84Å; K39-V41 VanDerWaalsContact C-N 3.27Å; K39-V41 PolarHBondContact O-N 3.38Å; K39-V42 PolarHBondContact O-N 3.41Å; K39-V42 VanDerWaalsContact O-N 3.11Å; K39-E43 WeakPolarHBondContact CE-OE1 3.06Å; K39-E43 HydrophobicContact CG-CG 4.46Å; K39-E43 WeakPolarHBondContact O-CG 3.42Å; K39-E43 PolarHBondContact O-N 3.5Å; K39-E106 HydrophobicContact CD-CG 4.33Å; K39-E106 IonicContact NZ-OE2 2.87Å; K39-E106 PolarHBondContact NZ-OE2 3.01Å; K39-L110 HydrophobicContact CB-CD1 4.46Å; K39-L110 HydrophobicContact CG-CD1 4.14Å; K39-L110 HydrophobicContact CG-CD2 4.29Å |
| 40 | K | 95.3 | Very high | 94 | Very high | 42 Ų | 42 | 46.9 Ų | 46.9 | 18% | 0.183 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -61.4 | -35.5 | 177.2 | -69.7 | -176.1 | -173.2 | -69.7 | 0 | 112.4 | L7 N8 L18 C36 A37 E43 T44 | L7-K40 HydrophobicContact CD2-CD 3.7Å; L7-K40 HydrophobicContact CG-CD 4Å; N8-K40 VanDerWaalsContact OD1-CE 3.27Å; N8-K40 WeakPolarHBondContact OD1-CE 3.36Å; N8-K40 PolarHBondContact OD1-NZ 2.75Å; L18-K40 HydrophobicContact CD1-CB 3.73Å; L18-K40 HydrophobicContact CD2-CB 4.2Å; L18-K40 HydrophobicContact CD2-CD 4.2Å; C36-K40 PolarHBondContact O-N 2.93Å; A37-K40 PolarHBondContact O-N 3.33Å; K40-E43 PolarHBondContact O-N 2.95Å; K40-T44 VanDerWaalsContact O-CB 3.3Å; K40-T44 WeakPolarHBondContact O-CB 3.3Å; K40-T44 PolarHBondContact O-N 3.28Å; K40-T44 PolarHBondContact O-OG1 2.8Å |
| 41 | V | 96.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -60.2 | -49.2 | 173.1 | 170.9 | 0 | 0 | 0 | 0 | 110.5 | K15 L18 I19 A37 M38 K39 T44 S45 L48 | K15-V41 HydrophobicContact CG-CG1 4.11Å; L18-V41 HydrophobicContact CB-CG2 3.49Å; L18-V41 VanDerWaalsContact CB-CG2 3.49Å; L18-V41 HydrophobicContact CD1-CG2 4.05Å; L18-V41 HydrophobicContact CG-CG2 4.4Å; I19-V41 HydrophobicContact CD1-CG1 4.01Å; I19-V41 HydrophobicContact CD1-CG2 3.88Å; I19-V41 HydrophobicContact CG1-CG2 4.2Å; A37-V41 WeakPolarHBondContact O-CG2 3.32Å; A37-V41 PolarHBondContact O-N 3.48Å; M38-V41 HydrophobicContact CE-CB 4.27Å; M38-V41 HydrophobicContact CE-CG1 4.19Å; M38-V41 WeakPolarHBondContact O-CB 3.34Å; M38-V41 PolarHBondContact O-N 3.03Å; M38-V41 HydrophobicContact SD-CG2 4.36Å; K39-V41 VanDerWaalsContact C-N 3.27Å; K39-V41 PolarHBondContact O-N 3.38Å; V41-T44 PolarHBondContact O-N 3.24Å; V41-S45 WeakPolarHBondContact O-CA 3.44Å; V41-S45 WeakPolarHBondContact O-CB 3.34Å; V41-S45 PolarHBondContact O-N 3.48Å; V41-L48 HydrophobicContact CG1-CD2 3.59Å |
| 42 | V | 95.5 | Very high | 93.9 | Very high | 1 Ų | 1 | 44.1 Ų | 44.1 | 1% | 0.006 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -64.5 | -41.3 | 179.8 | 176.5 | 0 | 0 | 0 | 0 | 111.7 | M38 K39 T44 S45 L48 F56 L110 L115 | M38-V42 WeakPolarHBondContact O-CG2 3.39Å; M38-V42 PolarHBondContact O-N 3.32Å; K39-V42 PolarHBondContact O-N 3.41Å; K39-V42 VanDerWaalsContact O-N 3.11Å; V42-T44 VanDerWaalsContact C-N 3.28Å; V42-T44 PolarHBondContact O-N 3.48Å; V42-S45 CarbonylContact O-C 3.43Å; V42-L48 HydrophobicContact CG2-CD1 3.98Å; V42-L48 HydrophobicContact CG2-CD2 4.22Å; V42-L48 HydrophobicContact CG2-CG 4.4Å; V42-F56 HydrophobicContact CG2-CD2 3.94Å; V42-F56 HydrophobicContact CG2-CE2 4.06Å; V42-L110 HydrophobicContact CB-CD2 4.26Å; V42-L110 HydrophobicContact CG1-CB 4.45Å; V42-L110 HydrophobicContact CG1-CD2 3.93Å; V42-L115 HydrophobicContact CG1-CD1 4.4Å; V42-L115 HydrophobicContact CG1-CD2 3.93Å; V42-L115 HydrophobicContact CG1-CG 3.95Å; V42-L115 HydrophobicContact CG2-CD1 4.28Å; V42-L115 HydrophobicContact CG2-CD2 4.04Å; V42-L115 HydrophobicContact CG2-CG 4.45Å |
| 43 | E | 92.2 | Very high | 93.9 | Very high | 114 Ų | 114 | 40.4 Ų | 40.4 | 53% | 0.533 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -64.6 | -32 | 177.7 | -70.8 | 171.2 | 167.5 | 0 | 0 | 112.5 | K39 K40 | K39-E43 WeakPolarHBondContact CE-OE1 3.06Å; K39-E43 HydrophobicContact CG-CG 4.46Å; K39-E43 WeakPolarHBondContact O-CG 3.42Å; K39-E43 PolarHBondContact O-N 3.5Å; K40-E43 PolarHBondContact O-N 2.95Å |
| 44 | T | 89.6 | Confident | 93.9 | Very high | 91 Ų | 91 | 43.5 Ų | 43.5 | 56% | 0.558 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -87.5 | -42.2 | 179.7 | -54.3 | 0 | 0 | 0 | 0 | 112.3 | K40 V41 V42 | K40-T44 VanDerWaalsContact O-CB 3.3Å; K40-T44 WeakPolarHBondContact O-CB 3.3Å; K40-T44 PolarHBondContact O-N 3.28Å; K40-T44 PolarHBondContact O-OG1 2.8Å; V41-T44 PolarHBondContact O-N 3.24Å; V42-T44 VanDerWaalsContact C-N 3.28Å; V42-T44 PolarHBondContact O-N 3.48Å |
| 45 | S | 80.7 | Confident | 93.9 | Very high | 21 Ų | 21 | 43.8 Ų | 43.8 | 15% | 0.147 | 22% | 0.224 | C | C | . | . | trans | -123.8 | 90.1 | -173.5 | 170.3 | 0 | 0 | 0 | 0 | 107.7 | K15 V41 V42 T47 | K15-S45 WeakPolarHBondContact CE-OG 3.47Å; K15-S45 PolarHBondContact NZ-OG 3.23Å; V41-S45 WeakPolarHBondContact O-CA 3.44Å; V41-S45 WeakPolarHBondContact O-CB 3.34Å; V41-S45 PolarHBondContact O-N 3.48Å; V42-S45 CarbonylContact O-C 3.43Å; S45-T47 CarbonylContact O-C 3.59Å; S45-T47 PolarHBondContact O-N 2.69Å; S45-T47 VanDerWaalsContact O-O 3.12Å; S45-T47 PolarHBondContact OG-O 3.4Å | ||
| 46 | K | 81.5 | Confident | 93.9 | Very high | 145 Ų | 145 | 43.8 Ų | 43.8 | 63% | 0.63 | 22% | 0.224 | S | C | * | . | S | Bend | trans | -54.4 | -20.3 | -175.4 | -64.8 | -174.3 | 178.7 | -176.7 | 0 | 114.4 | S114 S118 | K46-S114 WeakPolarHBondContact CA-OG 3.5Å; K46-S114 WeakPolarHBondContact CB-OG 3.33Å; K46-S114 PolarHBondContact O-OG 2.86Å; K46-S114 VanDerWaalsContact O-OG 3.05Å; K46-S118 WeakPolarHBondContact O-CB 3.33Å; K46-S118 PolarHBondContact O-OG 3.14Å |
| 47 | T | 89.7 | Confident | 94 | Very high | 79 Ų | 79 | 45 Ų | 45 | 49% | 0.485 | 23% | 0.232 | S | C | . | . | trans | -109.1 | 143.5 | 174.7 | 52 | 0 | 0 | 0 | 0 | 111.3 | S45 | S45-T47 CarbonylContact O-C 3.59Å; S45-T47 PolarHBondContact O-N 2.69Å; S45-T47 VanDerWaalsContact O-O 3.12Å; S45-T47 PolarHBondContact OG-O 3.4Å | ||
| 48 | L | 96 | Very high | 94.1 | Very high | 11 Ų | 11 | 47 Ų | 47 | 6% | 0.058 | 25% | 0.245 | C | C | . | . | trans | -117.7 | 139.8 | 172.8 | -56.6 | -177.5 | 0 | 0 | 0 | 109.7 | V41 V42 E52 R53 F56 L115 | V41-L48 HydrophobicContact CG1-CD2 3.59Å; V42-L48 HydrophobicContact CG2-CD1 3.98Å; V42-L48 HydrophobicContact CG2-CD2 4.22Å; V42-L48 HydrophobicContact CG2-CG 4.4Å; L48-E52 VanDerWaalsContact CA-OE2 3.3Å; L48-E52 WeakPolarHBondContact CA-OE2 3.43Å; L48-E52 HydrophobicContact CB-CB 3.87Å; L48-E52 HydrophobicContact CD2-CB 4.08Å; L48-E52 HydrophobicContact CG-CB 4.4Å; L48-R53 HydrophobicContact CB-CB 4.34Å; L48-F56 HydrophobicContact CD1-CB 3.89Å; L48-F56 HydrophobicContact CD1-CG 4.23Å; L48-L115 HydrophobicContact CD1-CD2 3.78Å; L48-L115 HydrophobicContact CG-CD2 3.73Å | ||
| 49 | N | 94.5 | Very high | 94.1 | Very high | 76 Ų | 76 | 47 Ų | 47 | 41% | 0.406 | 25% | 0.245 | S | C | . | . | trans | -76.5 | 177.9 | 165.5 | 72.3 | 42.6 | 0 | 0 | 0 | 110.9 | E51 E52 R53 | N49-E51 PolarHBondContact O-N 3.43Å; N49-E51 WeakPolarHBondContact OD1-CB 3.33Å; N49-E51 PolarHBondContact OD1-N 2.94Å; N49-E52 VanDerWaalsContact CG-CD 3.45Å; N49-E52 PolarHBondContact N-OE2 2.76Å; N49-E52 PolarHBondContact ND2-OE1 3.13Å; N49-E52 VanDerWaalsContact ND2-OE1 3.16Å; N49-E52 PolarHBondContact ND2-OE2 3.5Å; N49-E52 PolarHBondContact O-N 3.35Å; N49-E52 WeakPolarHBondContact OD1-CG 3.38Å; N49-E52 PolarHBondContact OD1-N 3.42Å; N49-R53 VanDerWaalsContact O-CB 3.22Å; N49-R53 WeakPolarHBondContact O-CB 3.31Å; N49-R53 PolarHBondContact O-N 2.69Å | ||
| 50 | N | 92.2 | Very high | 94.2 | Very high | 82 Ų | 82 | 45.2 Ų | 45.2 | 44% | 0.439 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -60.8 | -39.2 | -176.4 | -74.4 | 6.4 | 0 | 0 | 0 | 114 | R53 N54 E123 | N50-R53 PolarHBondContact OD1-NH1 3.18Å; N50-N54 WeakPolarHBondContact O-CB 3.19Å; N50-N54 VanDerWaalsContact O-CG 3.23Å; N50-N54 PolarHBondContact O-N 2.84Å; N50-N54 VanDerWaalsContact O-N 3.1Å; N50-N54 PolarHBondContact O-ND2 3.33Å; N50-E123 PolarHBondContact ND2-OE1 3.2Å; N50-E123 PolarHBondContact OD1-OE1 3.39Å |
| 51 | E | 95.3 | Very high | 94.4 | Very high | 102 Ų | 102 | 49.5 Ų | 49.5 | 48% | 0.477 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -67.6 | -46.7 | 177.5 | -175.7 | -179.6 | -147.4 | 0 | 0 | 110.7 | K23 N49 R53 N54 L55 | K23-E51 WeakPolarHBondContact CE-OE1 3.39Å; K23-E51 IonicContact NZ-OE1 2.75Å; K23-E51 PolarHBondContact NZ-OE1 2.84Å; K23-E51 IonicContact NZ-OE2 3.25Å; K23-E51 PolarHBondContact NZ-OE2 3.35Å; N49-E51 PolarHBondContact O-N 3.43Å; N49-E51 WeakPolarHBondContact OD1-CB 3.33Å; N49-E51 PolarHBondContact OD1-N 2.94Å; E51-R53 VanDerWaalsContact C-N 3.34Å; E51-R53 PolarHBondContact O-N 3.27Å; E51-N54 WeakPolarHBondContact O-CB 3.47Å; E51-N54 PolarHBondContact O-N 2.97Å; E51-L55 HydrophobicContact CG-CD1 4.44Å; E51-L55 WeakPolarHBondContact O-CG 3.27Å; E51-L55 PolarHBondContact O-N 3.46Å |
| 52 | E | 97.1 | Very high | 94.4 | Very high | 13 Ų | 13 | 52.2 Ų | 52.2 | 6% | 0.061 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -64.5 | -39.2 | 179.8 | -62.2 | 167 | 168.5 | 0 | 0 | 111.7 | K15 I19 M38 L48 N49 N54 L55 F56 | K15-E52 WeakPolarHBondContact CE-OE1 3.33Å; K15-E52 WeakPolarHBondContact CE-OE2 3.5Å; K15-E52 IonicContact NZ-OE1 3.6Å; K15-E52 PolarHBondContact NZ-OE1 3.27Å; K15-E52 IonicContact NZ-OE2 3.61Å; K15-E52 PolarHBondContact NZ-OE2 2.97Å; I19-E52 HydrophobicContact CD1-CB 4.19Å; I19-E52 HydrophobicContact CD1-CG 3.71Å; I19-E52 HydrophobicContact CG1-CG 4.19Å; M38-E52 VanDerWaalsContact CE-O 3.27Å; M38-E52 WeakPolarHBondContact CE-O 3.45Å; L48-E52 VanDerWaalsContact CA-OE2 3.3Å; L48-E52 WeakPolarHBondContact CA-OE2 3.43Å; L48-E52 HydrophobicContact CB-CB 3.87Å; L48-E52 HydrophobicContact CD2-CB 4.08Å; L48-E52 HydrophobicContact CG-CB 4.4Å; N49-E52 VanDerWaalsContact CG-CD 3.45Å; N49-E52 PolarHBondContact N-OE2 2.76Å; N49-E52 PolarHBondContact ND2-OE1 3.13Å; N49-E52 VanDerWaalsContact ND2-OE1 3.16Å; N49-E52 PolarHBondContact ND2-OE2 3.5Å; N49-E52 PolarHBondContact O-N 3.35Å; N49-E52 WeakPolarHBondContact OD1-CG 3.38Å; N49-E52 PolarHBondContact OD1-N 3.42Å; E52-N54 VanDerWaalsContact C-N 3.33Å; E52-L55 PolarHBondContact O-N 3.15Å; E52-F56 WeakPolarHBondContact O-CB 3.1Å; E52-F56 PolarHBondContact O-N 3.02Å |
| 53 | R | 96.7 | Very high | 94.6 | Very high | 6 Ų | 6 | 52.3 Ų | 52.3 | 2% | 0.023 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61.3 | -42.6 | 174.3 | -173.3 | -171.8 | -54.4 | 135.8 | -3.3 | 111.1 | L48 N49 N50 E51 F56 S57 E119 E123 G124 F127 Y128 | L48-R53 HydrophobicContact CB-CB 4.34Å; N49-R53 VanDerWaalsContact O-CB 3.22Å; N49-R53 WeakPolarHBondContact O-CB 3.31Å; N49-R53 PolarHBondContact O-N 2.69Å; N50-R53 PolarHBondContact OD1-NH1 3.18Å; E51-R53 VanDerWaalsContact C-N 3.34Å; E51-R53 PolarHBondContact O-N 3.27Å; R53-F56 PolarHBondContact O-N 3.28Å; R53-S57 PolarHBondContact O-N 3.44Å; R53-E119 IonicContact CZ-OE2 2.74Å; R53-E119 IonicContact NE-OE2 3.85Å; R53-E119 IonicContact NH2-OE1 2.67Å; R53-E119 IonicContact NH2-OE2 3.75Å; R53-E119 PolarHBondContact NH2-OE2 3.16Å; R53-E123 IonicContact NH1-OE1 2.73Å; R53-E123 PolarHBondContact NH1-OE1 3.48Å; R53-G124 VanDerWaalsContact CZ-CA 3.44Å; R53-F127 VanDerWaalsContact CD-CG 3.41Å; R53-F127 HydrophobicContact CG-CD1 3.61Å; R53-F127 HydrophobicContact CG-CD2 4.47Å; R53-F127 HydrophobicContact CG-CE1 3.42Å; R53-F127 VanDerWaalsContact CG-CE1 3.42Å; R53-F127 HydrophobicContact CG-CE2 4.29Å; R53-F127 HydrophobicContact CG-CG 4.14Å; R53-F127 HydrophobicContact CG-CZ 3.76Å; R53-Y128 HydrophobicContact CG-CE1 3.66Å; R53-Y128 WeakPolarHBondContact CG-OH 3.4Å; R53-Y128 PolarHBondContact NE-OH 3.46Å |
| 54 | N | 96.3 | Very high | 94.8 | Very high | 88 Ų | 88 | 47 Ų | 47 | 47% | 0.471 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -65.5 | -44.5 | 176.2 | -73.5 | -17.8 | 0 | 0 | 0 | 111.5 | N50 E51 E52 F56 S57 V58 | N50-N54 WeakPolarHBondContact O-CB 3.19Å; N50-N54 VanDerWaalsContact O-CG 3.23Å; N50-N54 PolarHBondContact O-N 2.84Å; N50-N54 VanDerWaalsContact O-N 3.1Å; N50-N54 PolarHBondContact O-ND2 3.33Å; E51-N54 WeakPolarHBondContact O-CB 3.47Å; E51-N54 PolarHBondContact O-N 2.97Å; E52-N54 VanDerWaalsContact C-N 3.33Å; N54-F56 PolarHBondContact O-N 3.03Å; N54-S57 PolarHBondContact O-N 3.44Å; N54-V58 WeakPolarHBondContact O-CG2 3.26Å; N54-V58 PolarHBondContact O-N 3.23Å |
| 55 | L | 98.2 | Very high | 95.2 | Very high | 7 Ų | 7 | 43.7 Ų | 43.7 | 4% | 0.037 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -58.8 | -45.8 | 174.9 | -70.8 | 169.3 | 0 | 0 | 0 | 111.6 | I19 K23 E26 M34 M38 E51 E52 S57 V58 A59 | I19-L55 HydrophobicContact CD1-CD1 4.28Å; I19-L55 HydrophobicContact CG2-CD1 4.04Å; K23-L55 HydrophobicContact CG-CD1 4.02Å; K23-L55 HydrophobicContact CG-CD2 4.11Å; E26-L55 WeakPolarHBondContact OE2-CD2 3.38Å; M34-L55 HydrophobicContact CE-CB 3.97Å; M34-L55 HydrophobicContact CE-CD2 3.56Å; M34-L55 HydrophobicContact CE-CG 4.39Å; M34-L55 VanDerWaalsContact CE-O 3.25Å; M34-L55 WeakPolarHBondContact CE-O 3.36Å; M38-L55 HydrophobicContact CE-CB 4.09Å; M38-L55 HydrophobicContact CG-CB 4.5Å; M38-L55 HydrophobicContact SD-CB 3.88Å; E51-L55 HydrophobicContact CG-CD1 4.44Å; E51-L55 WeakPolarHBondContact O-CG 3.27Å; E51-L55 PolarHBondContact O-N 3.46Å; E52-L55 PolarHBondContact O-N 3.15Å; L55-S57 VanDerWaalsContact C-N 3.32Å; L55-S57 PolarHBondContact O-N 3.5Å; L55-V58 PolarHBondContact O-N 2.83Å; L55-A59 WeakPolarHBondContact O-CB 3.37Å; L55-A59 PolarHBondContact O-N 2.95Å |
| 56 | F | 98.2 | Very high | 96 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -56.5 | -46.8 | 175.5 | 174.7 | -99.5 | 0 | 0 | 0 | 111.4 | M38 V42 L48 E52 R53 N54 Y60 L110 L115 M131 | M38-F56 HydrophobicContact CB-CD2 4.17Å; M38-F56 HydrophobicContact CE-CB 3.91Å; V42-F56 HydrophobicContact CG2-CD2 3.94Å; V42-F56 HydrophobicContact CG2-CE2 4.06Å; L48-F56 HydrophobicContact CD1-CB 3.89Å; L48-F56 HydrophobicContact CD1-CG 4.23Å; E52-F56 WeakPolarHBondContact O-CB 3.1Å; E52-F56 PolarHBondContact O-N 3.02Å; R53-F56 PolarHBondContact O-N 3.28Å; N54-F56 PolarHBondContact O-N 3.03Å; F56-Y60 AromaticContact CD2-CD2 3.85Å; F56-Y60 HydrophobicContact CD2-CD2 3.85Å; F56-Y60 AromaticContact CD2-CE2 3.77Å; F56-Y60 HydrophobicContact CD2-CE2 3.77Å; F56-Y60 AromaticContact CE2-CD2 3.57Å; F56-Y60 HydrophobicContact CE2-CD2 3.57Å; F56-Y60 AromaticContact CE2-CE2 3.31Å; F56-Y60 HydrophobicContact CE2-CE2 3.31Å; F56-Y60 HydrophobicContact CG-CD2 4.45Å; F56-Y60 AromaticContact CZ-CD2 3.96Å; F56-Y60 HydrophobicContact CZ-CD2 3.96Å; F56-Y60 HydrophobicContact CZ-CE2 4.02Å; F56-Y60 WeakPolarHBondContact O-CD2 3.31Å; F56-Y60 PolarHBondContact O-N 2.75Å; F56-L110 HydrophobicContact CE2-CD1 3.88Å; F56-L110 HydrophobicContact CZ-CB 4.34Å; F56-L110 HydrophobicContact CZ-CD1 4.27Å; F56-L115 HydrophobicContact CD1-CD1 4.14Å; F56-L115 HydrophobicContact CE1-CD1 3.67Å; F56-L115 HydrophobicContact CE2-CD1 4.29Å; F56-L115 HydrophobicContact CZ-CD1 3.77Å; F56-M131 HydrophobicContact CD1-CE 3.82Å; F56-M131 HydrophobicContact CD1-SD 4.03Å; F56-M131 HydrophobicContact CE1-CE 3.38Å; F56-M131 HydrophobicContact CE1-SD 3.68Å; F56-M131 HydrophobicContact CZ-CE 4.2Å |
| 57 | S | 98.1 | Very high | 96.8 | Very high | 30 Ų | 30 | 40.3 Ų | 40.3 | 21% | 0.21 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -65 | -46.4 | 178.7 | -172.1 | 0 | 0 | 0 | 0 | 112.7 | R53 N54 L55 A59 K61 | R53-S57 PolarHBondContact O-N 3.44Å; N54-S57 PolarHBondContact O-N 3.44Å; L55-S57 VanDerWaalsContact C-N 3.32Å; L55-S57 PolarHBondContact O-N 3.5Å; S57-A59 VanDerWaalsContact C-N 3.35Å; S57-A59 PolarHBondContact O-N 3.26Å; S57-K61 WeakPolarHBondContact O-CB 3.39Å; S57-K61 PolarHBondContact O-N 3.48Å |
| 58 | V | 98.3 | Very high | 97.2 | Very high | 42 Ų | 42 | 38.4 Ų | 38.4 | 26% | 0.255 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -59.9 | -45.2 | 178.8 | 168.4 | 0 | 0 | 0 | 0 | 110.9 | E26 F31 M34 N54 L55 N62 | E26-V58 HydrophobicContact CG-CG1 4.29Å; F31-V58 HydrophobicContact CE1-CG1 4.27Å; M34-V58 HydrophobicContact CE-CB 4.25Å; M34-V58 HydrophobicContact CE-CG1 4.14Å; M34-V58 HydrophobicContact SD-CG1 4.31Å; N54-V58 WeakPolarHBondContact O-CG2 3.26Å; N54-V58 PolarHBondContact O-N 3.23Å; L55-V58 PolarHBondContact O-N 2.83Å; V58-N62 PolarHBondContact O-N 2.67Å; V58-N62 VanDerWaalsContact O-N 3.15Å; V58-N62 PolarHBondContact O-ND2 3.12Å |
| 59 | A | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -55.6 | -61.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | M34 A35 M38 L55 S57 K61 N62 V63 | M34-A59 HydrophobicContact CB-CB 3.96Å; M34-A59 HydrophobicContact CE-CB 4.13Å; M34-A59 HydrophobicContact CG-CB 3.63Å; M34-A59 HydrophobicContact SD-CB 3.64Å; A35-A59 HydrophobicContact CB-CB 4.32Å; M38-A59 HydrophobicContact CG-CB 4.35Å; L55-A59 WeakPolarHBondContact O-CB 3.37Å; L55-A59 PolarHBondContact O-N 2.95Å; S57-A59 VanDerWaalsContact C-N 3.35Å; S57-A59 PolarHBondContact O-N 3.26Å; A59-K61 PolarHBondContact O-N 3.31Å; A59-N62 PolarHBondContact O-N 3.45Å; A59-V63 WeakPolarHBondContact O-CG2 3.26Å; A59-V63 PolarHBondContact O-N 3.23Å |
| 60 | Y | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -71.4 | -34.1 | -174.5 | -77.8 | -79.3 | 0 | 0 | 0 | 113.1 | A35 F56 N62 V63 V64 V103 E106 V107 L110 Y135 | A35-Y60 HydrophobicContact CB-CD1 4.13Å; A35-Y60 HydrophobicContact CB-CD2 4.43Å; A35-Y60 HydrophobicContact CB-CE1 3.93Å; A35-Y60 HydrophobicContact CB-CE2 4.2Å; A35-Y60 HydrophobicContact CB-CG 4.39Å; F56-Y60 AromaticContact CD2-CD2 3.85Å; F56-Y60 HydrophobicContact CD2-CD2 3.85Å; F56-Y60 AromaticContact CD2-CE2 3.77Å; F56-Y60 HydrophobicContact CD2-CE2 3.77Å; F56-Y60 AromaticContact CE2-CD2 3.57Å; F56-Y60 HydrophobicContact CE2-CD2 3.57Å; F56-Y60 AromaticContact CE2-CE2 3.31Å; F56-Y60 HydrophobicContact CE2-CE2 3.31Å; F56-Y60 HydrophobicContact CG-CD2 4.45Å; F56-Y60 AromaticContact CZ-CD2 3.96Å; F56-Y60 HydrophobicContact CZ-CD2 3.96Å; F56-Y60 HydrophobicContact CZ-CE2 4.02Å; F56-Y60 WeakPolarHBondContact O-CD2 3.31Å; F56-Y60 PolarHBondContact O-N 2.75Å; Y60-N62 VanDerWaalsContact C-N 3.31Å; Y60-N62 PolarHBondContact O-N 3.27Å; Y60-V63 PolarHBondContact O-N 2.98Å; Y60-V64 WeakPolarHBondContact O-CG1 3.46Å; Y60-V64 PolarHBondContact O-N 3.27Å; Y60-V103 HydrophobicContact CD1-CG1 4.1Å; Y60-E106 HydrophobicContact CE1-CG 4.41Å; Y60-E106 VanDerWaalsContact CE1-OE1 3.25Å; Y60-E106 WeakPolarHBondContact CE1-OE1 3.47Å; Y60-E106 PolarHBondContact OH-OE1 2.93Å; Y60-V107 HydrophobicContact CD1-CG2 3.24Å; Y60-V107 HydrophobicContact CD2-CG2 4.05Å; Y60-V107 HydrophobicContact CE1-CG2 3.69Å; Y60-V107 HydrophobicContact CE2-CG2 4.45Å; Y60-V107 HydrophobicContact CG-CG2 3.43Å; Y60-V107 VanDerWaalsContact CG-CG2 3.43Å; Y60-L110 HydrophobicContact CE2-CD1 4.24Å; Y60-L110 WeakPolarHBondContact OH-CD1 3.18Å; Y60-Y135 WeakPolarHBondContact CB-OH 3.37Å; Y60-Y135 PolarHBondContact O-OH 3.34Å |
| 61 | K | 98.1 | Very high | 97.7 | Very high | 131 Ų | 131 | 37.5 Ų | 37.5 | 57% | 0.57 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -59.2 | -42.3 | 176.1 | 179.2 | -176.1 | 173.7 | -172.1 | 0 | 111.5 | S57 A59 G65 Y135 | S57-K61 WeakPolarHBondContact O-CB 3.39Å; S57-K61 PolarHBondContact O-N 3.48Å; A59-K61 PolarHBondContact O-N 3.31Å; K61-G65 WeakPolarHBondContact O-CA 3.37Å; K61-G65 PolarHBondContact O-N 3.25Å; K61-Y135 PolarHBondContact N-OH 2.91Å |
| 62 | N | 98.3 | Very high | 97.8 | Very high | 57 Ų | 57 | 36.6 Ų | 36.6 | 31% | 0.305 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -70.6 | -42.7 | 178.6 | -80.3 | -72.6 | 0 | 0 | 0 | 111.6 | F31 V58 A59 Y60 G65 C66 | F31-N62 HydrophobicContact CB-CB 3.83Å; F31-N62 HydrophobicContact CD1-CB 3.6Å; F31-N62 HydrophobicContact CD2-CB 3.42Å; F31-N62 VanDerWaalsContact CD2-CB 3.42Å; F31-N62 HydrophobicContact CE1-CB 3.95Å; F31-N62 WeakPolarHBondContact CE1-ND2 3.41Å; F31-N62 HydrophobicContact CE2-CB 3.77Å; F31-N62 HydrophobicContact CG-CB 3.31Å; F31-N62 HydrophobicContact CZ-CB 4.03Å; V58-N62 PolarHBondContact O-N 2.67Å; V58-N62 VanDerWaalsContact O-N 3.15Å; V58-N62 PolarHBondContact O-ND2 3.12Å; A59-N62 PolarHBondContact O-N 3.45Å; Y60-N62 VanDerWaalsContact C-N 3.31Å; Y60-N62 PolarHBondContact O-N 3.27Å; N62-G65 PolarHBondContact O-N 3.31Å; N62-C66 PolarHBondContact O-N 3.44Å; N62-C66 PolarHBondContact O-SG 3.19Å; N62-C66 VanDerWaalsContact O-SG 3.33Å |
| 63 | V | 98.1 | Very high | 97.9 | Very high | 3 Ų | 3 | 40 Ų | 40 | 2% | 0.018 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -56.7 | -55.4 | 175.7 | 174.6 | 0 | 0 | 0 | 0 | 111.2 | M1 F31 N32 A35 A59 Y60 G65 C66 C67 V103 | M1-V63 HydrophobicContact CE-CG1 3.49Å; M1-V63 VanDerWaalsContact CE-CG1 3.49Å; M1-V63 HydrophobicContact SD-CG1 3.85Å; M1-V63 HydrophobicContact SD-CG2 4.48Å; F31-V63 HydrophobicContact CB-CG2 3.88Å; F31-V63 WeakPolarHBondContact O-CG2 3.49Å; N32-V63 WeakPolarHBondContact OD1-CG2 3.45Å; A35-V63 HydrophobicContact CB-CG2 4.2Å; A59-V63 WeakPolarHBondContact O-CG2 3.26Å; A59-V63 PolarHBondContact O-N 3.23Å; Y60-V63 PolarHBondContact O-N 2.98Å; V63-G65 VanDerWaalsContact C-N 3.28Å; V63-G65 PolarHBondContact O-N 2.8Å; V63-C66 PolarHBondContact O-N 2.68Å; V63-C67 PolarHBondContact O-N 3.49Å; V63-C67 PolarHBondContact O-SG 3.17Å; V63-V103 HydrophobicContact CG1-CG1 3.92Å; V63-V103 HydrophobicContact CG1-CG2 3.76Å |
| 64 | V | 98 | Very high | 97.9 | Very high | 2 Ų | 2 | 40.6 Ų | 40.6 | 1% | 0.012 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -66.5 | -32.9 | -179.5 | 76 | 0 | 0 | 0 | 0 | 111.7 | Y60 C67 R68 L100 V103 Y135 Y138 | Y60-V64 WeakPolarHBondContact O-CG1 3.46Å; Y60-V64 PolarHBondContact O-N 3.27Å; V64-C67 PolarHBondContact O-N 3.45Å; V64-R68 HydrophobicContact CG2-CG 4.44Å; V64-R68 VanDerWaalsContact O-CB 3.28Å; V64-R68 WeakPolarHBondContact O-CB 3.36Å; V64-R68 VanDerWaalsContact O-CG 3.3Å; V64-R68 WeakPolarHBondContact O-CG 3.33Å; V64-R68 PolarHBondContact O-N 3.31Å; V64-L100 HydrophobicContact CG2-CG 4.27Å; V64-V103 HydrophobicContact CB-CG1 4.2Å; V64-Y135 HydrophobicContact CB-CE1 4.22Å; V64-Y135 HydrophobicContact CG1-CE1 4.09Å; V64-Y135 HydrophobicContact CG2-CE1 4.42Å; V64-Y138 HydrophobicContact CG1-CD2 3.92Å; V64-Y138 HydrophobicContact CG1-CE2 3.74Å; V64-Y138 HydrophobicContact CG2-CD2 3.8Å; V64-Y138 HydrophobicContact CG2-CE2 4.48Å; V64-Y138 HydrophobicContact CG2-CG 4.37Å |
| 65 | G | 97.8 | Very high | 97.9 | Very high | 22 Ų | 22 | 37.2 Ų | 37.2 | 23% | 0.227 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -61.9 | -41.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | K61 N62 V63 S69 | K61-G65 WeakPolarHBondContact O-CA 3.37Å; K61-G65 PolarHBondContact O-N 3.25Å; N62-G65 PolarHBondContact O-N 3.31Å; V63-G65 VanDerWaalsContact C-N 3.28Å; V63-G65 PolarHBondContact O-N 2.8Å; G65-S69 WeakPolarHBondContact O-CB 3.34Å; G65-S69 PolarHBondContact O-N 3.01Å; G65-S69 PolarHBondContact O-OG 3.31Å |
| 66 | C | 97.6 | Very high | 97.8 | Very high | 81 Ų | 81 | 40.7 Ų | 40.7 | 55% | 0.547 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -63.2 | -48.7 | 173.5 | -71.3 | 0 | 0 | 0 | 0 | 111.4 | N62 V63 R68 S69 A70 | N62-C66 PolarHBondContact O-N 3.44Å; N62-C66 PolarHBondContact O-SG 3.19Å; N62-C66 VanDerWaalsContact O-SG 3.33Å; V63-C66 PolarHBondContact O-N 2.68Å; C66-R68 PolarHBondContact O-N 2.98Å; C66-S69 PolarHBondContact O-N 3.39Å; C66-A70 WeakPolarHBondContact O-CB 3.47Å; C66-A70 PolarHBondContact O-N 3.44Å |
| 67 | C | 97.5 | Very high | 97.8 | Very high | 15 Ų | 15 | 44.7 Ų | 44.7 | 10% | 0.101 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -58.9 | -46.3 | 177.1 | -63.5 | 0 | 0 | 0 | 0 | 111.6 | V63 V64 S69 A70 W71 I96 L100 | V63-C67 PolarHBondContact O-N 3.49Å; V63-C67 PolarHBondContact O-SG 3.17Å; V64-C67 PolarHBondContact O-N 3.45Å; C67-S69 VanDerWaalsContact C-N 3.34Å; C67-S69 PolarHBondContact O-N 3.06Å; C67-A70 PolarHBondContact O-N 3.02Å; C67-W71 VanDerWaalsContact O-CB 3.3Å; C67-W71 WeakPolarHBondContact O-CB 3.41Å; C67-W71 PolarHBondContact O-N 2.96Å; C67-I96 HydrophobicContact CB-CG2 4.49Å; C67-I96 WeakPolarHBondContact O-CG2 3.43Å; C67-L100 HydrophobicContact CB-CB 4.12Å; C67-L100 HydrophobicContact CB-CD1 4.48Å; C67-L100 HydrophobicContact CB-CG 4.46Å |
| 68 | R | 97.7 | Very high | 97.6 | Very high | 38 Ų | 38 | 44.7 Ų | 44.7 | 14% | 0.143 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -61.6 | -38.9 | 178.2 | -81.7 | -178.5 | 73.9 | -121 | 11.5 | 113 | V64 C66 R72 L100 E141 | V64-R68 HydrophobicContact CG2-CG 4.44Å; V64-R68 VanDerWaalsContact O-CB 3.28Å; V64-R68 WeakPolarHBondContact O-CB 3.36Å; V64-R68 VanDerWaalsContact O-CG 3.3Å; V64-R68 WeakPolarHBondContact O-CG 3.33Å; V64-R68 PolarHBondContact O-N 3.31Å; C66-R68 PolarHBondContact O-N 2.98Å; R68-R72 WeakPolarHBondContact O-CG 3.34Å; R68-R72 PolarHBondContact O-N 2.86Å; R68-R72 VanDerWaalsContact O-N 3.13Å; R68-R72 PolarHBondContact O-NH1 3.37Å; R68-L100 HydrophobicContact CB-CD1 4.49Å; R68-L100 HydrophobicContact CG-CD1 3.52Å; R68-L100 HydrophobicContact CG-CG 4.49Å; R68-E141 IonicContact CZ-OE1 3.52Å; R68-E141 IonicContact CZ-OE2 3.82Å; R68-E141 IonicContact NE-OE1 2.76Å; R68-E141 PolarHBondContact NE-OE1 3.07Å; R68-E141 IonicContact NE-OE2 2.8Å; R68-E141 PolarHBondContact NE-OE2 2.91Å; R68-E141 VanDerWaalsContact NH2-CD 3.28Å; R68-E141 IonicContact NH2-OE1 3.7Å; R68-E141 PolarHBondContact NH2-OE1 3.34Å; R68-E141 IonicContact NH2-OE2 3.18Å; R68-E141 PolarHBondContact NH2-OE2 3.23Å |
| 69 | S | 98.1 | Very high | 97.4 | Very high | 71 Ų | 71 | 49.6 Ų | 49.6 | 50% | 0.497 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -68.6 | -47.5 | 176.7 | -61 | 0 | 0 | 0 | 0 | 111.1 | G65 C66 C67 W71 R72 V73 | G65-S69 WeakPolarHBondContact O-CB 3.34Å; G65-S69 PolarHBondContact O-N 3.01Å; G65-S69 PolarHBondContact O-OG 3.31Å; C66-S69 PolarHBondContact O-N 3.39Å; C67-S69 VanDerWaalsContact C-N 3.34Å; C67-S69 PolarHBondContact O-N 3.06Å; S69-W71 VanDerWaalsContact C-N 3.35Å; S69-W71 PolarHBondContact O-N 3.05Å; S69-R72 PolarHBondContact O-N 3.42Å; S69-V73 WeakPolarHBondContact O-CG2 3.4Å; S69-V73 PolarHBondContact O-N 3.05Å; S69-V73 VanDerWaalsContact O-N 3.1Å |
| 70 | A | 98.1 | Very high | 97.3 | Very high | 40 Ų | 40 | 59.8 Ų | 59.8 | 33% | 0.331 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -59.6 | -45.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | C66 C67 R72 V73 V74 I96 | C66-A70 WeakPolarHBondContact O-CB 3.47Å; C66-A70 PolarHBondContact O-N 3.44Å; C67-A70 PolarHBondContact O-N 3.02Å; A70-R72 PolarHBondContact O-N 3.44Å; A70-V73 PolarHBondContact O-N 3.31Å; A70-V74 WeakPolarHBondContact O-CG2 3.45Å; A70-V74 PolarHBondContact O-N 3.29Å; A70-I96 HydrophobicContact CB-CD1 4.11Å; A70-I96 HydrophobicContact CB-CG2 4.42Å |
| 71 | W | 98 | Very high | 97.1 | Very high | 40 Ų | 40 | 62.4 Ų | 62.4 | 15% | 0.152 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -57.6 | -50.4 | 177 | 179.1 | 81.5 | 0 | 0 | 0 | 111.9 | C67 S69 V73 V74 S75 I96 E97 E141 V142 | C67-W71 VanDerWaalsContact O-CB 3.3Å; C67-W71 WeakPolarHBondContact O-CB 3.41Å; C67-W71 PolarHBondContact O-N 2.96Å; S69-W71 VanDerWaalsContact C-N 3.35Å; S69-W71 PolarHBondContact O-N 3.05Å; W71-V73 VanDerWaalsContact C-N 3.3Å; W71-V73 PolarHBondContact O-N 3.45Å; W71-V74 PolarHBondContact O-N 3.06Å; W71-S75 WeakPolarHBondContact O-CB 3.41Å; W71-S75 PolarHBondContact O-N 3.47Å; W71-S75 PolarHBondContact O-OG 3.05Å; W71-I96 HydrophobicContact CB-CG2 3.81Å; W71-E97 VanDerWaalsContact CD1-CG 3.46Å; W71-E97 VanDerWaalsContact NE1-CG 3.31Å; W71-E97 PolarHBondContact NE1-OE1 2.97Å; W71-E141 WeakPolarHBondContact CH2-O 3.4Å; W71-V142 HydrophobicContact CD2-CG1 3.9Å; W71-V142 HydrophobicContact CE3-CG1 4.32Å; W71-V142 HydrophobicContact CG-CG1 4.31Å; W71-V142 HydrophobicContact CH2-CG1 4.37Å; W71-V142 HydrophobicContact CZ2-CB 4.5Å; W71-V142 HydrophobicContact CZ2-CG1 3.97Å |
| 72 | R | 96.9 | Very high | 96.9 | Very high | 83 Ų | 83 | 60 Ų | 60 | 31% | 0.313 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -56.6 | -43.5 | 177.2 | -77.3 | -179.2 | 177.9 | 71.9 | 6.3 | 112.1 | R68 S69 A70 N76 E141 | R68-R72 WeakPolarHBondContact O-CG 3.34Å; R68-R72 PolarHBondContact O-N 2.86Å; R68-R72 VanDerWaalsContact O-N 3.13Å; R68-R72 PolarHBondContact O-NH1 3.37Å; S69-R72 PolarHBondContact O-N 3.42Å; A70-R72 PolarHBondContact O-N 3.44Å; R72-N76 WeakPolarHBondContact O-CB 3.3Å; R72-N76 PolarHBondContact O-N 3.41Å; R72-N76 VanDerWaalsContact O-N 3.12Å; R72-N76 PolarHBondContact O-ND2 2.97Å; R72-E141 IonicContact CZ-OE2 3.48Å; R72-E141 IonicContact NH1-OE2 3.98Å; R72-E141 IonicContact NH2-OE1 3.4Å; R72-E141 IonicContact NH2-OE2 2.69Å; R72-E141 PolarHBondContact NH2-OE2 3.31Å |
| 73 | V | 97.9 | Very high | 96.6 | Very high | 85 Ų | 85 | 64.2 Ų | 64.2 | 52% | 0.515 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -64.4 | -48.3 | 179.5 | 171.5 | 0 | 0 | 0 | 0 | 110.7 | S69 A70 W71 N76 I77 | S69-V73 WeakPolarHBondContact O-CG2 3.4Å; S69-V73 PolarHBondContact O-N 3.05Å; S69-V73 VanDerWaalsContact O-N 3.1Å; A70-V73 PolarHBondContact O-N 3.31Å; W71-V73 VanDerWaalsContact C-N 3.3Å; W71-V73 PolarHBondContact O-N 3.45Å; V73-N76 PolarHBondContact O-N 3.47Å; V73-I77 HydrophobicContact CG1-CD1 3.79Å; V73-I77 WeakPolarHBondContact O-CG1 3.28Å; V73-I77 PolarHBondContact O-N 3.31Å |
| 74 | V | 97.8 | Very high | 96.3 | Very high | 17 Ų | 17 | 71.2 Ų | 71.2 | 10% | 0.103 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -65.4 | -42.5 | -179.4 | 178 | 0 | 0 | 0 | 0 | 111.3 | A70 W71 N76 I77 E78 Y92 R93 I96 | A70-V74 WeakPolarHBondContact O-CG2 3.45Å; A70-V74 PolarHBondContact O-N 3.29Å; W71-V74 PolarHBondContact O-N 3.06Å; V74-N76 VanDerWaalsContact C-N 3.29Å; V74-N76 PolarHBondContact O-N 3.2Å; V74-I77 PolarHBondContact O-N 2.94Å; V74-I77 VanDerWaalsContact O-N 3.14Å; V74-E78 WeakPolarHBondContact O-CB 3.46Å; V74-E78 PolarHBondContact O-N 3.35Å; V74-Y92 HydrophobicContact CG1-CD1 4.13Å; V74-Y92 HydrophobicContact CG2-CD1 3.86Å; V74-Y92 HydrophobicContact CG2-CE1 3.85Å; V74-R93 HydrophobicContact CG1-CB 3.84Å; V74-I96 HydrophobicContact CB-CD1 4.3Å; V74-I96 HydrophobicContact CG2-CD1 3.74Å |
| 75 | S | 95.8 | Very high | 96.2 | Very high | 17 Ų | 17 | 75.9 Ų | 75.9 | 12% | 0.119 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -56.7 | -41.9 | 174.6 | -63.3 | 0 | 0 | 0 | 0 | 112.2 | W71 Q79 R93 | W71-S75 WeakPolarHBondContact O-CB 3.41Å; W71-S75 PolarHBondContact O-N 3.47Å; W71-S75 PolarHBondContact O-OG 3.05Å; S75-Q79 WeakPolarHBondContact O-CG 3.47Å; S75-Q79 PolarHBondContact O-N 3.21Å; S75-R93 WeakPolarHBondContact OG-CD 3.45Å |
| 76 | N | 96.6 | Very high | 96.2 | Very high | 80 Ų | 80 | 79.1 Ų | 79.1 | 43% | 0.428 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -69.2 | -37.6 | 176.6 | -80.5 | -60.6 | 0 | 0 | 0 | 112.9 | R72 V73 V74 R80 | R72-N76 WeakPolarHBondContact O-CB 3.3Å; R72-N76 PolarHBondContact O-N 3.41Å; R72-N76 VanDerWaalsContact O-N 3.12Å; R72-N76 PolarHBondContact O-ND2 2.97Å; V73-N76 PolarHBondContact O-N 3.47Å; V74-N76 VanDerWaalsContact C-N 3.29Å; V74-N76 PolarHBondContact O-N 3.2Å; N76-R80 WeakPolarHBondContact O-CG 3.27Å |
| 77 | I | 97.1 | Very high | 96.1 | Very high | 85 Ų | 85 | 82.1 Ų | 82.1 | 44% | 0.436 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -66.8 | -46.9 | 176.1 | -70.4 | 168.2 | 0 | 0 | 0 | 110.1 | V73 V74 Q79 R80 L81 | V73-I77 HydrophobicContact CG1-CD1 3.79Å; V73-I77 WeakPolarHBondContact O-CG1 3.28Å; V73-I77 PolarHBondContact O-N 3.31Å; V74-I77 PolarHBondContact O-N 2.94Å; V74-I77 VanDerWaalsContact O-N 3.14Å; I77-Q79 PolarHBondContact O-N 2.7Å; I77-R80 PolarHBondContact O-N 3Å; I77-L81 HydrophobicContact CG2-CD1 3.63Å; I77-L81 HydrophobicContact CG2-CG 4.05Å; I77-L81 WeakPolarHBondContact O-CG 3.37Å; I77-L81 PolarHBondContact O-N 3.33Å |
| 78 | E | 95.7 | Very high | 96 | Very high | 30 Ų | 30 | 86.9 Ų | 86.9 | 14% | 0.14 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -52 | -43.1 | 178.8 | -179.2 | -176.2 | 165.1 | 0 | 0 | 112 | V74 R80 L81 K86 A89 R93 | V74-E78 WeakPolarHBondContact O-CB 3.46Å; V74-E78 PolarHBondContact O-N 3.35Å; E78-R80 PolarHBondContact O-N 3.28Å; E78-L81 PolarHBondContact O-N 3.13Å; E78-K86 HydrophobicContact CG-CG 3.82Å; E78-K86 WeakPolarHBondContact O-CG 3.42Å; E78-A89 HydrophobicContact CB-CB 3.87Å; E78-A89 HydrophobicContact CG-CB 4.17Å; E78-R93 IonicContact OE1-NE 3.64Å; E78-R93 IonicContact OE1-NH2 3.26Å; E78-R93 PolarHBondContact OE1-NH2 3.05Å; E78-R93 WeakPolarHBondContact OE2-CD 3.48Å; E78-R93 IonicContact OE2-CZ 2.84Å; E78-R93 IonicContact OE2-NE 3.36Å; E78-R93 PolarHBondContact OE2-NE 3.41Å; E78-R93 IonicContact OE2-NH2 3.02Å; E78-R93 PolarHBondContact OE2-NH2 3.35Å |
| 79 | Q | 93.8 | Very high | 96 | Very high | 145 Ų | 145 | 85.7 Ų | 85.7 | 68% | 0.678 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -19.5 | 179.1 | -71.1 | 177.1 | 5.4 | 0 | 0 | 114.1 | S75 I77 | S75-Q79 WeakPolarHBondContact O-CG 3.47Å; S75-Q79 PolarHBondContact O-N 3.21Å; I77-Q79 PolarHBondContact O-N 2.7Å |
| 80 | R | 95.1 | Very high | 95.9 | Very high | 213 Ų | 213 | 82.8 Ų | 82.8 | 80% | 0.804 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104 | -3 | -176.1 | -61.8 | 175.1 | -175.7 | 180 | 1.7 | 113.5 | N76 I77 E78 | N76-R80 WeakPolarHBondContact O-CG 3.27Å; I77-R80 PolarHBondContact O-N 3Å; E78-R80 PolarHBondContact O-N 3.28Å |
| 81 | L | 95.3 | Very high | 95.9 | Very high | 56 Ų | 56 | 86.2 Ų | 86.2 | 29% | 0.293 | 41% | 0.41 | S | S | . | . | S | Bend | trans | -93 | 153.6 | -176.3 | -72.9 | 172.5 | 0 | 0 | 0 | 112.5 | I77 E78 K85 K86 A89 | I77-L81 HydrophobicContact CG2-CD1 3.63Å; I77-L81 HydrophobicContact CG2-CG 4.05Å; I77-L81 WeakPolarHBondContact O-CG 3.37Å; I77-L81 PolarHBondContact O-N 3.33Å; E78-L81 PolarHBondContact O-N 3.13Å; L81-K85 HydrophobicContact CB-CB 3.98Å; L81-K85 HydrophobicContact CD1-CB 3.98Å; L81-K85 HydrophobicContact CD2-CB 3.97Å; L81-K85 HydrophobicContact CD2-CD 3.98Å; L81-K85 HydrophobicContact CG-CB 4.19Å; L81-K86 HydrophobicContact CB-CB 4.23Å; L81-A89 HydrophobicContact CD1-CB 3.72Å |
| 82 | D | 94.5 | Very high | 95.9 | Very high | 81 Ų | 81 | 90.8 Ų | 90.8 | 43% | 0.433 | 43% | 0.428 | S | S | . | . | trans | -65.6 | 160.5 | 168 | 59.7 | 54.4 | 0 | 0 | 0 | 111.9 | Q84 K85 K86 | D82-Q84 VanDerWaalsContact C-N 3.3Å; D82-Q84 PolarHBondContact O-N 2.87Å; D82-Q84 VanDerWaalsContact O-N 3.11Å; D82-K85 PolarHBondContact O-N 3.14Å; D82-K85 VanDerWaalsContact O-N 3.13Å; D82-K85 WeakPolarHBondContact OD1-CB 3.42Å; D82-K85 WeakPolarHBondContact OD1-CG 3.48Å; D82-K85 PolarHBondContact OD1-N 2.99Å; D82-K85 IonicContact OD2-NZ 2.79Å; D82-K85 PolarHBondContact OD2-NZ 2.93Å; D82-K86 WeakPolarHBondContact O-CB 3.3Å; D82-K86 PolarHBondContact O-N 3.04Å | ||
| 83 | D | 92.1 | Very high | 95.9 | Very high | 144 Ų | 144 | 89.7 Ų | 89.7 | 77% | 0.77 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -52.6 | -40.7 | -167.7 | -69 | -23.9 | 0 | 0 | 0 | 114.6 | K87 | D83-K87 PolarHBondContact O-N 2.78Å; D83-K87 VanDerWaalsContact O-N 3.15Å |
| 84 | Q | 91.9 | Very high | 95.8 | Very high | 151 Ų | 151 | 87.7 Ų | 87.7 | 71% | 0.706 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -70.3 | -47.4 | -179.3 | -174.7 | 179.3 | -16.1 | 0 | 0 | 111.5 | D82 K86 K87 Q88 | D82-Q84 VanDerWaalsContact C-N 3.3Å; D82-Q84 PolarHBondContact O-N 2.87Å; D82-Q84 VanDerWaalsContact O-N 3.11Å; Q84-K86 VanDerWaalsContact C-N 3.31Å; Q84-K87 PolarHBondContact O-N 2.99Å; Q84-Q88 PolarHBondContact O-N 3.11Å |
| 85 | K | 95.4 | Very high | 95.8 | Very high | 100 Ų | 100 | 90 Ų | 90 | 44% | 0.435 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -70.1 | -32.1 | 178.2 | -65.9 | 176.2 | -167.5 | 135.6 | 0 | 111.6 | L81 D82 K87 Q88 A89 | L81-K85 HydrophobicContact CB-CB 3.98Å; L81-K85 HydrophobicContact CD1-CB 3.98Å; L81-K85 HydrophobicContact CD2-CB 3.97Å; L81-K85 HydrophobicContact CD2-CD 3.98Å; L81-K85 HydrophobicContact CG-CB 4.19Å; D82-K85 PolarHBondContact O-N 3.14Å; D82-K85 VanDerWaalsContact O-N 3.13Å; D82-K85 WeakPolarHBondContact OD1-CB 3.42Å; D82-K85 WeakPolarHBondContact OD1-CG 3.48Å; D82-K85 PolarHBondContact OD1-N 2.99Å; D82-K85 IonicContact OD2-NZ 2.79Å; D82-K85 PolarHBondContact OD2-NZ 2.93Å; K85-K87 VanDerWaalsContact C-N 3.32Å; K85-K87 PolarHBondContact O-N 3.17Å; K85-Q88 PolarHBondContact O-N 3.31Å; K85-A89 WeakPolarHBondContact O-CB 3.28Å; K85-A89 PolarHBondContact O-N 3.05Å |
| 86 | K | 96.5 | Very high | 95.9 | Very high | 89 Ų | 89 | 89.3 Ų | 89.3 | 39% | 0.387 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -59.8 | -42.4 | 174.6 | -176.6 | 171.7 | -175.3 | 177.1 | 0 | 111.2 | E78 L81 D82 Q84 A89 G90 | E78-K86 HydrophobicContact CG-CG 3.82Å; E78-K86 WeakPolarHBondContact O-CG 3.42Å; L81-K86 HydrophobicContact CB-CB 4.23Å; D82-K86 WeakPolarHBondContact O-CB 3.3Å; D82-K86 PolarHBondContact O-N 3.04Å; Q84-K86 VanDerWaalsContact C-N 3.31Å; K86-A89 PolarHBondContact O-N 3.33Å; K86-G90 PolarHBondContact O-N 3.34Å |
| 87 | K | 95.9 | Very high | 95.9 | Very high | 145 Ų | 145 | 86.7 Ų | 86.7 | 63% | 0.63 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -60.1 | -46.7 | 173.7 | -175.3 | 178.8 | 174.5 | -176.6 | 0 | 112.2 | D83 Q84 K85 A89 G90 E91 | D83-K87 PolarHBondContact O-N 2.78Å; D83-K87 VanDerWaalsContact O-N 3.15Å; Q84-K87 PolarHBondContact O-N 2.99Å; K85-K87 VanDerWaalsContact C-N 3.32Å; K85-K87 PolarHBondContact O-N 3.17Å; K87-A89 PolarHBondContact O-N 3.29Å; K87-G90 PolarHBondContact O-N 3.22Å; K87-E91 WeakPolarHBondContact CE-OE1 3.29Å; K87-E91 WeakPolarHBondContact O-CG 3.4Å; K87-E91 PolarHBondContact O-N 2.94Å |
| 88 | Q | 96.1 | Very high | 95.9 | Very high | 115 Ų | 115 | 89.5 Ų | 89.5 | 54% | 0.537 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -62.4 | -42.8 | 178 | -66.7 | 177.9 | -34.8 | 0 | 0 | 112 | Q84 K85 E91 Y92 | Q84-Q88 PolarHBondContact O-N 3.11Å; K85-Q88 PolarHBondContact O-N 3.31Å; Q88-E91 PolarHBondContact O-N 3.37Å; Q88-Y92 PolarHBondContact O-N 2.88Å |
| 89 | A | 97.2 | Very high | 95.9 | Very high | 13 Ų | 13 | 92.8 Ų | 92.8 | 11% | 0.107 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -63.9 | -40.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112 | E78 L81 K85 K86 K87 Y92 R93 | E78-A89 HydrophobicContact CB-CB 3.87Å; E78-A89 HydrophobicContact CG-CB 4.17Å; L81-A89 HydrophobicContact CD1-CB 3.72Å; K85-A89 WeakPolarHBondContact O-CB 3.28Å; K85-A89 PolarHBondContact O-N 3.05Å; K86-A89 PolarHBondContact O-N 3.33Å; K87-A89 PolarHBondContact O-N 3.29Å; A89-Y92 PolarHBondContact O-N 3.37Å; A89-R93 WeakPolarHBondContact O-CB 3.15Å; A89-R93 PolarHBondContact O-N 2.89Å |
| 90 | G | 96.9 | Very high | 96 | Very high | 10 Ų | 10 | 85.9 Ų | 85.9 | 10% | 0.103 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -66.3 | -37.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | K86 K87 S94 | K86-G90 PolarHBondContact O-N 3.34Å; K87-G90 PolarHBondContact O-N 3.22Å; G90-S94 WeakPolarHBondContact O-CB 3.32Å; G90-S94 PolarHBondContact O-N 2.65Å; G90-S94 PolarHBondContact O-OG 2.83Å |
| 91 | E | 96.9 | Very high | 96.1 | Very high | 112 Ų | 112 | 78.8 Ų | 78.8 | 52% | 0.523 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -62.4 | -44.3 | 171.9 | -74.6 | 172.1 | -174.4 | 0 | 0 | 111.1 | K87 Q88 S94 T95 | K87-E91 WeakPolarHBondContact CE-OE1 3.29Å; K87-E91 WeakPolarHBondContact O-CG 3.4Å; K87-E91 PolarHBondContact O-N 2.94Å; Q88-E91 PolarHBondContact O-N 3.37Å; E91-S94 WeakPolarHBondContact O-CB 3.48Å; E91-S94 PolarHBondContact O-N 3.21Å; E91-T95 PolarHBondContact O-N 3.27Å; E91-T95 PolarHBondContact O-OG1 2.84Å |
| 92 | Y | 97.8 | Very high | 96.2 | Very high | 136 Ų | 136 | 79.1 Ų | 79.1 | 53% | 0.533 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -68 | -41.8 | 176.9 | -175.6 | -128.7 | 0 | 0 | 0 | 112.8 | V74 Q88 A89 S94 T95 I96 | V74-Y92 HydrophobicContact CG1-CD1 4.13Å; V74-Y92 HydrophobicContact CG2-CD1 3.86Å; V74-Y92 HydrophobicContact CG2-CE1 3.85Å; Q88-Y92 PolarHBondContact O-N 2.88Å; A89-Y92 PolarHBondContact O-N 3.37Å; Y92-S94 VanDerWaalsContact C-N 3.26Å; Y92-S94 PolarHBondContact O-N 3.49Å; Y92-T95 WeakPolarHBondContact O-CB 3.34Å; Y92-T95 PolarHBondContact O-N 3.15Å; Y92-I96 HydrophobicContact CD1-CD1 4.27Å; Y92-I96 HydrophobicContact CE1-CD1 3.91Å; Y92-I96 HydrophobicContact CE2-CG1 4.46Å; Y92-I96 PolarHBondContact O-N 3.02Å; Y92-I96 VanDerWaalsContact O-N 3.17Å |
| 93 | R | 97.1 | Very high | 96.3 | Very high | 59 Ų | 59 | 75.5 Ų | 75.5 | 22% | 0.223 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -53.9 | -45.8 | 172 | -179.3 | 178.5 | 51.5 | 83.4 | -1.3 | 110.9 | V74 S75 E78 A89 T95 I96 E97 | V74-R93 HydrophobicContact CG1-CB 3.84Å; S75-R93 WeakPolarHBondContact OG-CD 3.45Å; E78-R93 IonicContact OE1-NE 3.64Å; E78-R93 IonicContact OE1-NH2 3.26Å; E78-R93 PolarHBondContact OE1-NH2 3.05Å; E78-R93 WeakPolarHBondContact OE2-CD 3.48Å; E78-R93 IonicContact OE2-CZ 2.84Å; E78-R93 IonicContact OE2-NE 3.36Å; E78-R93 PolarHBondContact OE2-NE 3.41Å; E78-R93 IonicContact OE2-NH2 3.02Å; E78-R93 PolarHBondContact OE2-NH2 3.35Å; A89-R93 WeakPolarHBondContact O-CB 3.15Å; A89-R93 PolarHBondContact O-N 2.89Å; R93-T95 PolarHBondContact O-N 3.4Å; R93-I96 PolarHBondContact O-N 3.26Å; R93-I96 VanDerWaalsContact O-N 3.11Å; R93-E97 HydrophobicContact CG-CG 4.48Å; R93-E97 IonicContact CZ-OE1 3.53Å; R93-E97 IonicContact NH1-OE1 2.99Å; R93-E97 PolarHBondContact NH1-OE1 3.46Å; R93-E97 IonicContact NH1-OE2 3.94Å; R93-E97 WeakPolarHBondContact O-CG 3.15Å; R93-E97 PolarHBondContact O-N 2.78Å |
| 94 | S | 96.5 | Very high | 96.6 | Very high | 44 Ų | 44 | 68.6 Ų | 68.6 | 31% | 0.308 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -62.7 | -30.4 | 179.1 | -57.1 | 0 | 0 | 0 | 0 | 112.8 | G90 E91 Y92 K98 | G90-S94 WeakPolarHBondContact O-CB 3.32Å; G90-S94 PolarHBondContact O-N 2.65Å; G90-S94 PolarHBondContact O-OG 2.83Å; E91-S94 WeakPolarHBondContact O-CB 3.48Å; E91-S94 PolarHBondContact O-N 3.21Å; Y92-S94 VanDerWaalsContact C-N 3.26Å; Y92-S94 PolarHBondContact O-N 3.49Å; S94-K98 WeakPolarHBondContact O-CG 3.4Å; S94-K98 PolarHBondContact O-N 2.92Å |
| 95 | T | 97.5 | Very high | 96.9 | Very high | 64 Ų | 64 | 65.9 Ų | 65.9 | 39% | 0.393 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -66.6 | -46.4 | 172.1 | -62 | 0 | 0 | 0 | 0 | 111.1 | E91 Y92 R93 E97 K98 E99 | E91-T95 PolarHBondContact O-N 3.27Å; E91-T95 PolarHBondContact O-OG1 2.84Å; Y92-T95 WeakPolarHBondContact O-CB 3.34Å; Y92-T95 PolarHBondContact O-N 3.15Å; R93-T95 PolarHBondContact O-N 3.4Å; T95-E97 VanDerWaalsContact C-N 3.29Å; T95-E97 PolarHBondContact O-N 2.92Å; T95-K98 WeakPolarHBondContact O-CB 3.43Å; T95-K98 PolarHBondContact O-N 3.11Å; T95-K98 VanDerWaalsContact O-N 3.16Å; T95-E99 PolarHBondContact O-N 3.13Å; T95-E99 VanDerWaalsContact O-N 3.08Å |
| 96 | I | 97.5 | Very high | 97 | Very high | 4 Ų | 4 | 62.4 Ų | 62.4 | 2% | 0.021 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -62.5 | -38.5 | 177.3 | -58.6 | 168 | 0 | 0 | 0 | 110.9 | C67 A70 W71 V74 Y92 R93 K98 E99 L100 | C67-I96 HydrophobicContact CB-CG2 4.49Å; C67-I96 WeakPolarHBondContact O-CG2 3.43Å; A70-I96 HydrophobicContact CB-CD1 4.11Å; A70-I96 HydrophobicContact CB-CG2 4.42Å; W71-I96 HydrophobicContact CB-CG2 3.81Å; V74-I96 HydrophobicContact CB-CD1 4.3Å; V74-I96 HydrophobicContact CG2-CD1 3.74Å; Y92-I96 HydrophobicContact CD1-CD1 4.27Å; Y92-I96 HydrophobicContact CE1-CD1 3.91Å; Y92-I96 HydrophobicContact CE2-CG1 4.46Å; Y92-I96 PolarHBondContact O-N 3.02Å; Y92-I96 VanDerWaalsContact O-N 3.17Å; R93-I96 PolarHBondContact O-N 3.26Å; R93-I96 VanDerWaalsContact O-N 3.11Å; I96-K98 VanDerWaalsContact C-N 3.33Å; I96-K98 PolarHBondContact O-N 3.1Å; I96-E99 PolarHBondContact O-N 2.84Å; I96-L100 WeakPolarHBondContact O-CB 3.4Å; I96-L100 PolarHBondContact O-N 3.14Å |
| 97 | E | 97 | Very high | 97.1 | Very high | 25 Ų | 25 | 58.2 Ų | 58.2 | 12% | 0.117 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -60.8 | -41 | 175.6 | -71.5 | 171.8 | 177.5 | 0 | 0 | 112.2 | W71 R93 T95 L100 Q101 V142 | W71-E97 VanDerWaalsContact CD1-CG 3.46Å; W71-E97 VanDerWaalsContact NE1-CG 3.31Å; W71-E97 PolarHBondContact NE1-OE1 2.97Å; R93-E97 HydrophobicContact CG-CG 4.48Å; R93-E97 IonicContact CZ-OE1 3.53Å; R93-E97 IonicContact NH1-OE1 2.99Å; R93-E97 PolarHBondContact NH1-OE1 3.46Å; R93-E97 IonicContact NH1-OE2 3.94Å; R93-E97 WeakPolarHBondContact O-CG 3.15Å; R93-E97 PolarHBondContact O-N 2.78Å; T95-E97 VanDerWaalsContact C-N 3.29Å; T95-E97 PolarHBondContact O-N 2.92Å; E97-L100 PolarHBondContact O-N 2.96Å; E97-Q101 WeakPolarHBondContact O-CB 3.49Å; E97-Q101 WeakPolarHBondContact O-CG 3.39Å; E97-Q101 PolarHBondContact O-N 3.35Å; E97-Q101 PolarHBondContact O-NE2 3.36Å; E97-V142 HydrophobicContact CG-CB 4.13Å; E97-V142 HydrophobicContact CG-CG1 4.39Å |
| 98 | K | 96.2 | Very high | 97.2 | Very high | 143 Ų | 143 | 51.3 Ų | 51.3 | 62% | 0.622 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -65.5 | -40.8 | 176 | -71.4 | 170.8 | -175.6 | 175.5 | 0 | 111.8 | S94 T95 I96 Q101 A102 | S94-K98 WeakPolarHBondContact O-CG 3.4Å; S94-K98 PolarHBondContact O-N 2.92Å; T95-K98 WeakPolarHBondContact O-CB 3.43Å; T95-K98 PolarHBondContact O-N 3.11Å; T95-K98 VanDerWaalsContact O-N 3.16Å; I96-K98 VanDerWaalsContact C-N 3.33Å; I96-K98 PolarHBondContact O-N 3.1Å; K98-Q101 PolarHBondContact O-N 3.46Å; K98-A102 WeakPolarHBondContact O-CB 3.32Å; K98-A102 PolarHBondContact O-N 3.4Å |
| 99 | E | 96.3 | Very high | 97.2 | Very high | 100 Ų | 100 | 48.8 Ų | 48.8 | 47% | 0.467 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -62.5 | -47.4 | 175.4 | -69.5 | 172.1 | -172.8 | 0 | 0 | 111.3 | T95 I96 Q101 A102 V103 | T95-E99 PolarHBondContact O-N 3.13Å; T95-E99 VanDerWaalsContact O-N 3.08Å; I96-E99 PolarHBondContact O-N 2.84Å; E99-Q101 PolarHBondContact O-N 2.77Å; E99-A102 PolarHBondContact O-N 2.86Å; E99-V103 WeakPolarHBondContact O-CG2 3.47Å; E99-V103 PolarHBondContact O-N 3.31Å |
| 100 | L | 97 | Very high | 97.2 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -59 | -48.9 | 176.1 | -173.3 | 160 | 0 | 0 | 0 | 110.9 | V64 C67 R68 I96 E97 A102 V103 C104 V142 | V64-L100 HydrophobicContact CG2-CG 4.27Å; C67-L100 HydrophobicContact CB-CB 4.12Å; C67-L100 HydrophobicContact CB-CD1 4.48Å; C67-L100 HydrophobicContact CB-CG 4.46Å; R68-L100 HydrophobicContact CB-CD1 4.49Å; R68-L100 HydrophobicContact CG-CD1 3.52Å; R68-L100 HydrophobicContact CG-CG 4.49Å; I96-L100 WeakPolarHBondContact O-CB 3.4Å; I96-L100 PolarHBondContact O-N 3.14Å; E97-L100 PolarHBondContact O-N 2.96Å; L100-A102 VanDerWaalsContact C-N 3.31Å; L100-A102 PolarHBondContact O-N 3.34Å; L100-V103 PolarHBondContact O-N 3.45Å; L100-C104 WeakPolarHBondContact O-CB 3.38Å; L100-C104 PolarHBondContact O-N 3.24Å; L100-C104 PolarHBondContact O-SG 3.23Å; L100-C104 VanDerWaalsContact O-SG 3.4Å; L100-V142 HydrophobicContact CD1-CG1 3.94Å; L100-V142 HydrophobicContact CD2-CG2 3.99Å |
| 101 | Q | 96.8 | Very high | 97.3 | Very high | 64 Ų | 64 | 48.4 Ų | 48.4 | 30% | 0.299 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -59.3 | -42.2 | 178.1 | -75.2 | 172.1 | 47.7 | 0 | 0 | 111.9 | E97 K98 E99 C104 Q105 L139 V142 L143 | E97-Q101 WeakPolarHBondContact O-CB 3.49Å; E97-Q101 WeakPolarHBondContact O-CG 3.39Å; E97-Q101 PolarHBondContact O-N 3.35Å; E97-Q101 PolarHBondContact O-NE2 3.36Å; K98-Q101 PolarHBondContact O-N 3.46Å; E99-Q101 PolarHBondContact O-N 2.77Å; Q101-C104 PolarHBondContact O-N 2.84Å; Q101-Q105 WeakPolarHBondContact O-CB 3.48Å; Q101-Q105 PolarHBondContact O-N 3.02Å; Q101-L139 HydrophobicContact CB-CD2 4.14Å; Q101-L139 HydrophobicContact CG-CD2 3.77Å; Q101-V142 HydrophobicContact CG-CG2 4.3Å; Q101-L143 HydrophobicContact CG-CD2 4.44Å |
| 102 | A | 96.7 | Very high | 97.3 | Very high | 62 Ų | 62 | 46.1 Ų | 46.1 | 51% | 0.512 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -64.4 | -43.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | K98 E99 L100 C104 Q105 E106 | K98-A102 WeakPolarHBondContact O-CB 3.32Å; K98-A102 PolarHBondContact O-N 3.4Å; E99-A102 PolarHBondContact O-N 2.86Å; L100-A102 VanDerWaalsContact C-N 3.31Å; L100-A102 PolarHBondContact O-N 3.34Å; A102-C104 VanDerWaalsContact C-N 3.35Å; A102-Q105 PolarHBondContact O-N 3.01Å; A102-E106 WeakPolarHBondContact O-CB 3.43Å; A102-E106 PolarHBondContact O-N 3.17Å |
| 103 | V | 97.5 | Very high | 97.2 | Very high | 5 Ų | 5 | 46.4 Ų | 46.4 | 3% | 0.03 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -63.8 | -43 | 176 | 174.4 | 0 | 0 | 0 | 0 | 110.6 | M1 Y60 V63 V64 E99 L100 E106 V107 | M1-V103 HydrophobicContact CE-CG2 3.67Å; Y60-V103 HydrophobicContact CD1-CG1 4.1Å; V63-V103 HydrophobicContact CG1-CG1 3.92Å; V63-V103 HydrophobicContact CG1-CG2 3.76Å; V64-V103 HydrophobicContact CB-CG1 4.2Å; E99-V103 WeakPolarHBondContact O-CG2 3.47Å; E99-V103 PolarHBondContact O-N 3.31Å; L100-V103 PolarHBondContact O-N 3.45Å; V103-E106 PolarHBondContact O-N 2.92Å; V103-V107 PolarHBondContact O-N 3.2Å; V103-V107 VanDerWaalsContact O-N 3.13Å |
| 104 | C | 98.1 | Very high | 97.1 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -64.3 | -45.2 | 178.1 | -73.2 | 0 | 0 | 0 | 0 | 112.8 | L100 Q101 A102 E106 V107 L108 Y135 L139 | L100-C104 WeakPolarHBondContact O-CB 3.38Å; L100-C104 PolarHBondContact O-N 3.24Å; L100-C104 PolarHBondContact O-SG 3.23Å; L100-C104 VanDerWaalsContact O-SG 3.4Å; Q101-C104 PolarHBondContact O-N 2.84Å; A102-C104 VanDerWaalsContact C-N 3.35Å; C104-E106 VanDerWaalsContact C-N 3.34Å; C104-E106 PolarHBondContact O-N 2.82Å; C104-V107 PolarHBondContact O-N 2.99Å; C104-L108 VanDerWaalsContact O-CG 3.26Å; C104-L108 WeakPolarHBondContact O-CG 3.18Å; C104-L108 PolarHBondContact O-N 2.61Å; C104-Y135 HydrophobicContact CB-CD1 4.11Å; C104-L139 HydrophobicContact CB-CD1 4.04Å; C104-L139 HydrophobicContact CB-CD2 3.62Å; C104-L139 HydrophobicContact CB-CG 3.65Å |
| 105 | Q | 97.4 | Very high | 97.1 | Very high | 93 Ų | 93 | 42.1 Ų | 42.1 | 44% | 0.435 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -62.5 | -42.8 | 177.9 | -169.2 | 60.8 | 52 | 0 | 0 | 111.2 | Q101 A102 V107 L108 D109 | Q101-Q105 WeakPolarHBondContact O-CB 3.48Å; Q101-Q105 PolarHBondContact O-N 3.02Å; A102-Q105 PolarHBondContact O-N 3.01Å; Q105-V107 VanDerWaalsContact C-N 3.33Å; Q105-V107 PolarHBondContact O-N 3.19Å; Q105-L108 PolarHBondContact O-N 3.34Å; Q105-D109 PolarHBondContact NE2-OD1 2.84Å; Q105-D109 WeakPolarHBondContact O-CB 3.42Å; Q105-D109 PolarHBondContact O-N 3.07Å |
| 106 | E | 97.4 | Very high | 97 | Very high | 28 Ų | 28 | 40.5 Ų | 40.5 | 13% | 0.131 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -58.3 | -44.1 | 177.2 | -177.4 | 172.4 | 101.9 | 0 | 0 | 112.1 | K39 Y60 A102 V103 C104 D109 L110 | K39-E106 HydrophobicContact CD-CG 4.33Å; K39-E106 IonicContact NZ-OE2 2.87Å; K39-E106 PolarHBondContact NZ-OE2 3.01Å; Y60-E106 HydrophobicContact CE1-CG 4.41Å; Y60-E106 VanDerWaalsContact CE1-OE1 3.25Å; Y60-E106 WeakPolarHBondContact CE1-OE1 3.47Å; Y60-E106 PolarHBondContact OH-OE1 2.93Å; A102-E106 WeakPolarHBondContact O-CB 3.43Å; A102-E106 PolarHBondContact O-N 3.17Å; V103-E106 PolarHBondContact O-N 2.92Å; C104-E106 VanDerWaalsContact C-N 3.34Å; C104-E106 PolarHBondContact O-N 2.82Å; E106-D109 PolarHBondContact O-N 3.48Å; E106-L110 HydrophobicContact CG-CD1 4.19Å; E106-L110 VanDerWaalsContact O-CG 3.24Å; E106-L110 WeakPolarHBondContact O-CG 3.25Å; E106-L110 PolarHBondContact O-N 3.26Å |
| 107 | V | 98.2 | Very high | 96.9 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -64.7 | -46.4 | 176.3 | 169.6 | 0 | 0 | 0 | 0 | 111.4 | Y60 V103 C104 Q105 D109 L110 L111 M131 Y135 | Y60-V107 HydrophobicContact CD1-CG2 3.24Å; Y60-V107 HydrophobicContact CD2-CG2 4.05Å; Y60-V107 HydrophobicContact CE1-CG2 3.69Å; Y60-V107 HydrophobicContact CE2-CG2 4.45Å; Y60-V107 HydrophobicContact CG-CG2 3.43Å; Y60-V107 VanDerWaalsContact CG-CG2 3.43Å; V103-V107 PolarHBondContact O-N 3.2Å; V103-V107 VanDerWaalsContact O-N 3.13Å; C104-V107 PolarHBondContact O-N 2.99Å; Q105-V107 VanDerWaalsContact C-N 3.33Å; Q105-V107 PolarHBondContact O-N 3.19Å; V107-D109 VanDerWaalsContact C-N 3.3Å; V107-D109 PolarHBondContact O-N 3.03Å; V107-L110 PolarHBondContact O-N 3.4Å; V107-L111 HydrophobicContact CG1-CD1 3.84Å; V107-L111 HydrophobicContact CG1-CG 4.23Å; V107-L111 WeakPolarHBondContact O-CB 3.48Å; V107-L111 VanDerWaalsContact O-CG 3.22Å; V107-L111 WeakPolarHBondContact O-CG 3.36Å; V107-L111 PolarHBondContact O-N 3.39Å; V107-M131 HydrophobicContact CG1-CE 3.77Å; V107-M131 HydrophobicContact CG1-CG 4.45Å; V107-Y135 HydrophobicContact CB-CD1 3.84Å; V107-Y135 HydrophobicContact CB-CE1 3.81Å; V107-Y135 HydrophobicContact CB-CG 4.21Å; V107-Y135 HydrophobicContact CG1-CD1 3.94Å; V107-Y135 HydrophobicContact CG1-CD2 3.79Å; V107-Y135 HydrophobicContact CG1-CE1 3.96Å; V107-Y135 HydrophobicContact CG1-CE2 3.84Å; V107-Y135 HydrophobicContact CG1-CG 3.83Å; V107-Y135 HydrophobicContact CG2-CD1 4.12Å; V107-Y135 HydrophobicContact CG2-CE1 3.56Å |
| 108 | L | 98.5 | Very high | 96.8 | Very high | 1 Ų | 1 | 48.2 Ų | 48.2 | 1% | 0.005 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60 | -42.3 | 179.1 | -69.5 | 169.6 | 0 | 0 | 0 | 111.1 | C104 Q105 L111 H112 E132 Y136 L139 | C104-L108 VanDerWaalsContact O-CG 3.26Å; C104-L108 WeakPolarHBondContact O-CG 3.18Å; C104-L108 PolarHBondContact O-N 2.61Å; Q105-L108 PolarHBondContact O-N 3.34Å; L108-L111 PolarHBondContact O-N 3.09Å; L108-H112 PolarHBondContact O-CD2 3.08Å; L108-H112 PolarHBondContact O-N 2.89Å; L108-E132 HydrophobicContact CD2-CG 4.01Å; L108-Y136 HydrophobicContact CD1-CD1 3.91Å; L108-Y136 HydrophobicContact CD1-CE1 3.61Å; L108-Y136 HydrophobicContact CD1-CE2 4.4Å; L108-Y136 HydrophobicContact CD1-CG 4.41Å; L108-Y136 HydrophobicContact CD2-CD2 3.87Å; L108-Y136 HydrophobicContact CD2-CE1 4.34Å; L108-Y136 HydrophobicContact CD2-CE2 3.61Å; L108-Y136 HydrophobicContact CD2-CG 4.33Å; L108-L139 HydrophobicContact CD1-CD1 3.76Å |
| 109 | D | 97.6 | Very high | 96.6 | Very high | 62 Ų | 62 | 42.9 Ų | 42.9 | 33% | 0.332 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -62.2 | -48.5 | 176.2 | -65.2 | -18.5 | 0 | 0 | 0 | 110.7 | Q105 E106 V107 L111 H112 E113 | Q105-D109 PolarHBondContact NE2-OD1 2.84Å; Q105-D109 WeakPolarHBondContact O-CB 3.42Å; Q105-D109 PolarHBondContact O-N 3.07Å; E106-D109 PolarHBondContact O-N 3.48Å; V107-D109 VanDerWaalsContact C-N 3.3Å; V107-D109 PolarHBondContact O-N 3.03Å; D109-L111 VanDerWaalsContact C-N 3.27Å; D109-L111 PolarHBondContact O-N 3.45Å; D109-H112 PolarHBondContact O-N 2.92Å; D109-E113 WeakPolarHBondContact O-CB 3.18Å; D109-E113 VanDerWaalsContact O-CG 3.29Å; D109-E113 WeakPolarHBondContact O-CG 3.47Å; D109-E113 PolarHBondContact O-N 2.91Å |
| 110 | L | 97.1 | Very high | 96.5 | Very high | 15 Ų | 15 | 45.2 Ų | 45.2 | 8% | 0.079 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -60.1 | -36.9 | 176.8 | -69.2 | 170.6 | 0 | 0 | 0 | 112.7 | K39 V42 F56 Y60 E106 V107 S114 L115 | K39-L110 HydrophobicContact CB-CD1 4.46Å; K39-L110 HydrophobicContact CG-CD1 4.14Å; K39-L110 HydrophobicContact CG-CD2 4.29Å; V42-L110 HydrophobicContact CB-CD2 4.26Å; V42-L110 HydrophobicContact CG1-CB 4.45Å; V42-L110 HydrophobicContact CG1-CD2 3.93Å; F56-L110 HydrophobicContact CE2-CD1 3.88Å; F56-L110 HydrophobicContact CZ-CB 4.34Å; F56-L110 HydrophobicContact CZ-CD1 4.27Å; Y60-L110 HydrophobicContact CE2-CD1 4.24Å; Y60-L110 WeakPolarHBondContact OH-CD1 3.18Å; E106-L110 HydrophobicContact CG-CD1 4.19Å; E106-L110 VanDerWaalsContact O-CG 3.24Å; E106-L110 WeakPolarHBondContact O-CG 3.25Å; E106-L110 PolarHBondContact O-N 3.26Å; V107-L110 PolarHBondContact O-N 3.4Å; L110-S114 PolarHBondContact O-N 2.8Å; L110-L115 PolarHBondContact O-N 3.31Å; L110-L115 VanDerWaalsContact O-N 3.08Å |
| 111 | L | 97.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 25% | 0.25 | C | C | . | . | I | π-helix | trans | -65.1 | -52.5 | 175.4 | -70.1 | 171.8 | 0 | 0 | 0 | 111.3 | V107 L108 D109 L115 L116 Y128 M131 E132 | V107-L111 HydrophobicContact CG1-CD1 3.84Å; V107-L111 HydrophobicContact CG1-CG 4.23Å; V107-L111 WeakPolarHBondContact O-CB 3.48Å; V107-L111 VanDerWaalsContact O-CG 3.22Å; V107-L111 WeakPolarHBondContact O-CG 3.36Å; V107-L111 PolarHBondContact O-N 3.39Å; L108-L111 PolarHBondContact O-N 3.09Å; D109-L111 VanDerWaalsContact C-N 3.27Å; D109-L111 PolarHBondContact O-N 3.45Å; L111-L115 HydrophobicContact CD2-CB 4.32Å; L111-L115 HydrophobicContact CD2-CD1 3.99Å; L111-L115 PolarHBondContact O-N 3.3Å; L111-L116 HydrophobicContact CB-CD1 4.1Å; L111-L116 HydrophobicContact CB-CG 4.44Å; L111-L116 VanDerWaalsContact O-CB 3.29Å; L111-L116 WeakPolarHBondContact O-CB 3.38Å; L111-L116 PolarHBondContact O-N 2.99Å; L111-Y128 HydrophobicContact CD2-CD1 3.61Å; L111-Y128 HydrophobicContact CD2-CG 4Å; L111-M131 HydrophobicContact CD1-CB 4.4Å; L111-M131 HydrophobicContact CD1-CG 4.3Å; L111-E132 HydrophobicContact CD1-CB 4.06Å |
| 112 | H | 96.8 | Very high | 96.4 | Very high | 64 Ų | 64 | 46 Ų | 46 | 30% | 0.296 | 24% | 0.244 | S | C | . | . | I | π-helix | trans | -77.1 | -32.6 | -174.3 | -69.2 | -60 | 0 | 0 | 0 | 114.1 | L108 D109 K117 E132 | L108-H112 PolarHBondContact O-CD2 3.08Å; L108-H112 PolarHBondContact O-N 2.89Å; D109-H112 PolarHBondContact O-N 2.92Å; H112-K117 WeakPolarHBondContact O-CD 3.34Å; H112-K117 WeakPolarHBondContact O-CE 3.47Å; H112-K117 PolarHBondContact O-NZ 3.19Å; H112-E132 VanDerWaalsContact CE1-CD 3.41Å; H112-E132 IonicContact CE1-OE1 3.86Å; H112-E132 PolarHBondContact CE1-OE1 3.2Å; H112-E132 IonicContact CE1-OE2 3.25Å; H112-E132 IonicContact NE2-OE1 2.65Å |
| 113 | E | 95.3 | Very high | 96.4 | Very high | 141 Ų | 141 | 45.6 Ų | 45.6 | 66% | 0.659 | 23% | 0.232 | S | C | * | . | I | π-helix | trans | -83.2 | -28.2 | -177.9 | -64.1 | -171.1 | 165.3 | 0 | 0 | 112.7 | D109 | D109-E113 WeakPolarHBondContact O-CB 3.18Å; D109-E113 VanDerWaalsContact O-CG 3.29Å; D109-E113 WeakPolarHBondContact O-CG 3.47Å; D109-E113 PolarHBondContact O-N 2.91Å |
| 114 | S | 95.2 | Very high | 96.4 | Very high | 13 Ų | 13 | 45.3 Ų | 45.3 | 9% | 0.091 | 23% | 0.23 | C | C | . | . | I | π-helix | trans | -131.1 | -68.6 | -177 | -168.9 | 0 | 0 | 0 | 0 | 114 | K46 L110 L116 K117 S118 | K46-S114 WeakPolarHBondContact CA-OG 3.5Å; K46-S114 WeakPolarHBondContact CB-OG 3.33Å; K46-S114 PolarHBondContact O-OG 2.86Å; K46-S114 VanDerWaalsContact O-OG 3.05Å; L110-S114 PolarHBondContact O-N 2.8Å; S114-L116 PolarHBondContact O-N 2.76Å; S114-K117 PolarHBondContact O-N 2.76Å; S114-K117 VanDerWaalsContact O-N 3.09Å; S114-S118 PolarHBondContact O-N 3.42Å; S114-S118 PolarHBondContact O-OG 2.96Å |
| 115 | L | 97.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 24% | 0.244 | C | C | . | . | I | π-helix | trans | -65.8 | -43.5 | -158.6 | -62.7 | 171.3 | 0 | 0 | 0 | 113.5 | V42 L48 F56 L110 L111 K117 S118 E119 Y128 | V42-L115 HydrophobicContact CG1-CD1 4.4Å; V42-L115 HydrophobicContact CG1-CD2 3.93Å; V42-L115 HydrophobicContact CG1-CG 3.95Å; V42-L115 HydrophobicContact CG2-CD1 4.28Å; V42-L115 HydrophobicContact CG2-CD2 4.04Å; V42-L115 HydrophobicContact CG2-CG 4.45Å; L48-L115 HydrophobicContact CD1-CD2 3.78Å; L48-L115 HydrophobicContact CG-CD2 3.73Å; F56-L115 HydrophobicContact CD1-CD1 4.14Å; F56-L115 HydrophobicContact CE1-CD1 3.67Å; F56-L115 HydrophobicContact CE2-CD1 4.29Å; F56-L115 HydrophobicContact CZ-CD1 3.77Å; L110-L115 PolarHBondContact O-N 3.31Å; L110-L115 VanDerWaalsContact O-N 3.08Å; L111-L115 HydrophobicContact CD2-CB 4.32Å; L111-L115 HydrophobicContact CD2-CD1 3.99Å; L111-L115 PolarHBondContact O-N 3.3Å; L115-K117 VanDerWaalsContact C-N 3.3Å; L115-K117 PolarHBondContact O-N 3.11Å; L115-S118 PolarHBondContact O-OG 3.01Å; L115-E119 WeakPolarHBondContact O-CB 3.01Å; L115-E119 PolarHBondContact O-N 3.24Å; L115-E119 VanDerWaalsContact O-N 3.1Å; L115-Y128 HydrophobicContact CB-CD1 4.24Å; L115-Y128 HydrophobicContact CB-CD2 4.14Å; L115-Y128 HydrophobicContact CB-CE1 4.07Å; L115-Y128 HydrophobicContact CB-CE2 3.95Å; L115-Y128 HydrophobicContact CB-CG 4.3Å; L115-Y128 HydrophobicContact CD1-CD1 4.28Å; L115-Y128 HydrophobicContact CD1-CE1 3.83Å; L115-Y128 HydrophobicContact CD2-CE1 4.44Å; L115-Y128 HydrophobicContact CG-CE1 4.34Å |
| 116 | L | 96.5 | Very high | 96.4 | Very high | 31 Ų | 31 | 44 Ų | 44 | 16% | 0.162 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -70.4 | -26.5 | 177 | -73.8 | 167.5 | 0 | 0 | 0 | 112.9 | L111 S114 Y128 K129 E132 | L111-L116 HydrophobicContact CB-CD1 4.1Å; L111-L116 HydrophobicContact CB-CG 4.44Å; L111-L116 VanDerWaalsContact O-CB 3.29Å; L111-L116 WeakPolarHBondContact O-CB 3.38Å; L111-L116 PolarHBondContact O-N 2.99Å; S114-L116 PolarHBondContact O-N 2.76Å; L116-Y128 VanDerWaalsContact CD2-CB 3.49Å; L116-K129 HydrophobicContact CD1-CD 4.29Å; L116-K129 HydrophobicContact CD2-CD 3.92Å; L116-K129 HydrophobicContact CD2-CG 4.02Å; L116-E132 WeakPolarHBondContact CD1-OE2 3.33Å |
| 117 | K | 95.2 | Very high | 96.5 | Very high | 157 Ų | 157 | 43.8 Ų | 43.8 | 68% | 0.683 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -78.9 | -30.5 | 179.3 | -74 | 174.4 | 175.4 | 146.6 | 0 | 112.5 | H112 S114 L115 | H112-K117 WeakPolarHBondContact O-CD 3.34Å; H112-K117 WeakPolarHBondContact O-CE 3.47Å; H112-K117 PolarHBondContact O-NZ 3.19Å; S114-K117 PolarHBondContact O-N 2.76Å; S114-K117 VanDerWaalsContact O-N 3.09Å; L115-K117 VanDerWaalsContact C-N 3.3Å; L115-K117 PolarHBondContact O-N 3.11Å |
| 118 | S | 93.2 | Very high | 96.5 | Very high | 33 Ų | 33 | 43.8 Ų | 43.8 | 23% | 0.231 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -96.4 | -18.6 | -174.8 | 71.8 | 0 | 0 | 0 | 0 | 113.1 | K46 S114 L115 | K46-S118 WeakPolarHBondContact O-CB 3.33Å; K46-S118 PolarHBondContact O-OG 3.14Å; S114-S118 PolarHBondContact O-N 3.42Å; S114-S118 PolarHBondContact O-OG 2.96Å; L115-S118 PolarHBondContact O-OG 3.01Å |
| 119 | E | 93.9 | Very high | 96.5 | Very high | 31 Ų | 31 | 45.6 Ų | 45.6 | 15% | 0.145 | 23% | 0.23 | C | C | . | . | trans | -72.5 | 130.7 | 179.4 | -175.6 | 56.4 | -105.2 | 0 | 0 | 112.2 | R53 L115 T121 G124 Y128 | R53-E119 IonicContact CZ-OE2 2.74Å; R53-E119 IonicContact NE-OE2 3.85Å; R53-E119 IonicContact NH2-OE1 2.67Å; R53-E119 IonicContact NH2-OE2 3.75Å; R53-E119 PolarHBondContact NH2-OE2 3.16Å; L115-E119 WeakPolarHBondContact O-CB 3.01Å; L115-E119 PolarHBondContact O-N 3.24Å; L115-E119 VanDerWaalsContact O-N 3.1Å; E119-T121 WeakPolarHBondContact OE1-CB 3.1Å; E119-T121 PolarHBondContact OE1-N 2.84Å; E119-T121 PolarHBondContact OE1-OG1 3.37Å; E119-G124 VanDerWaalsContact CG-C 3.43Å; E119-G124 WeakPolarHBondContact OE2-CA 3.45Å; E119-Y128 HydrophobicContact CB-CD2 4.01Å; E119-Y128 HydrophobicContact CB-CE2 3.99Å; E119-Y128 HydrophobicContact CG-CD2 4Å; E119-Y128 HydrophobicContact CG-CE2 4.01Å; E119-Y128 WeakPolarHBondContact OE2-CE2 3.37Å | ||
| 120 | N | 93.6 | Very high | 96.5 | Very high | 149 Ų | 149 | 44.5 Ų | 44.5 | 80% | 0.797 | 22% | 0.222 | S | C | * | . | trans | -125.9 | -1.3 | -176.4 | 63.6 | -0.4 | 0 | 0 | 0 | 113.1 | ||||
| 121 | T | 95.7 | Very high | 96.6 | Very high | 58 Ų | 58 | 44 Ų | 44 | 36% | 0.356 | 22% | 0.22 | S | C | . | . | S | Bend | trans | -96.2 | 145.7 | 175.5 | 69.5 | 0 | 0 | 0 | 0 | 110.9 | E119 E123 G124 F125 | E119-T121 WeakPolarHBondContact OE1-CB 3.1Å; E119-T121 PolarHBondContact OE1-N 2.84Å; E119-T121 PolarHBondContact OE1-OG1 3.37Å; T121-E123 VanDerWaalsContact C-N 3.29Å; T121-E123 PolarHBondContact O-N 3.16Å; T121-G124 PolarHBondContact O-N 2.87Å; T121-G124 PolarHBondContact OG1-N 3.21Å; T121-F125 WeakPolarHBondContact O-CB 3.22Å; T121-F125 PolarHBondContact O-N 3.08Å |
| 122 | A | 96.5 | Very high | 96.7 | Very high | 23 Ų | 23 | 44.6 Ų | 44.6 | 19% | 0.19 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60.5 | -41.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | F125 V126 D169 | A122-F125 PolarHBondContact O-N 3.27Å; A122-V126 VanDerWaalsContact O-CG2 3.25Å; A122-V126 WeakPolarHBondContact O-CG2 3.35Å; A122-V126 PolarHBondContact O-N 3.3Å; A122-D169 HydrophobicContact CB-CB 3.47Å; A122-D169 VanDerWaalsContact CB-CB 3.47Å |
| 123 | E | 95.7 | Very high | 96.8 | Very high | 53 Ų | 53 | 41.6 Ų | 41.6 | 25% | 0.248 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -57.9 | -52 | 177.9 | -175.2 | -174.2 | 100.6 | 0 | 0 | 111.9 | N50 R53 T121 V126 F127 L170 H174 I176 | N50-E123 PolarHBondContact ND2-OE1 3.2Å; N50-E123 PolarHBondContact OD1-OE1 3.39Å; R53-E123 IonicContact NH1-OE1 2.73Å; R53-E123 PolarHBondContact NH1-OE1 3.48Å; T121-E123 VanDerWaalsContact C-N 3.29Å; T121-E123 PolarHBondContact O-N 3.16Å; E123-V126 PolarHBondContact O-N 3.44Å; E123-F127 WeakPolarHBondContact O-CB 3.44Å; E123-F127 PolarHBondContact O-N 3.49Å; E123-L170 HydrophobicContact CB-CD2 4.43Å; E123-H174 IonicContact OE2-CE1 3.56Å; E123-H174 IonicContact OE2-NE2 2.69Å; E123-H174 PolarHBondContact OE2-NE2 3.34Å; E123-I176 HydrophobicContact CG-CD1 3.45Å; E123-I176 VanDerWaalsContact CG-CD1 3.45Å |
| 124 | G | 96.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -67.3 | -37.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | R53 E119 T121 F127 Y128 | R53-G124 VanDerWaalsContact CZ-CA 3.44Å; E119-G124 VanDerWaalsContact CG-C 3.43Å; E119-G124 WeakPolarHBondContact OE2-CA 3.45Å; T121-G124 PolarHBondContact O-N 2.87Å; T121-G124 PolarHBondContact OG1-N 3.21Å; G124-F127 WeakPolarHBondContact O-CB 3.49Å; G124-F127 PolarHBondContact O-N 3.4Å; G124-Y128 WeakPolarHBondContact O-CD2 3.25Å; G124-Y128 PolarHBondContact O-N 2.91Å |
| 125 | F | 98.1 | Very high | 97.1 | Very high | 65 Ų | 65 | 34.9 Ų | 34.9 | 29% | 0.285 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -60 | -49.4 | 174.3 | 176.9 | -88 | 0 | 0 | 0 | 111 | T121 A122 F127 Y128 K129 K165 | T121-F125 WeakPolarHBondContact O-CB 3.22Å; T121-F125 PolarHBondContact O-N 3.08Å; A122-F125 PolarHBondContact O-N 3.27Å; F125-F127 VanDerWaalsContact C-N 3.29Å; F125-F127 PolarHBondContact O-N 2.91Å; F125-Y128 PolarHBondContact O-N 3.4Å; F125-K129 HydrophobicContact CD1-CG 4.06Å; F125-K129 HydrophobicContact CD2-CG 4.29Å; F125-K129 HydrophobicContact CE1-CB 4.43Å; F125-K129 HydrophobicContact CE1-CG 3.64Å; F125-K129 HydrophobicContact CE2-CG 3.87Å; F125-K129 HydrophobicContact CG-CG 4.4Å; F125-K129 HydrophobicContact CZ-CD 4.35Å; F125-K129 HydrophobicContact CZ-CG 3.54Å; F125-K129 VanDerWaalsContact O-CB 3.32Å; F125-K129 WeakPolarHBondContact O-CB 3.37Å; F125-K129 WeakPolarHBondContact O-CG 3.3Å; F125-K129 PolarHBondContact O-N 2.99Å; F125-K165 HydrophobicContact CD1-CB 3.75Å; F125-K165 HydrophobicContact CD1-CG 3.6Å; F125-K165 HydrophobicContact CE1-CB 3.78Å; F125-K165 HydrophobicContact CE1-CG 4.07Å; F125-K165 HydrophobicContact CG-CG 4.44Å |
| 126 | V | 98.5 | Very high | 97.1 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -61.8 | -41.3 | 178.3 | 176.7 | 0 | 0 | 0 | 0 | 110.3 | A122 E123 K130 A162 K165 A166 L170 I176 L180 | A122-V126 VanDerWaalsContact O-CG2 3.25Å; A122-V126 WeakPolarHBondContact O-CG2 3.35Å; A122-V126 PolarHBondContact O-N 3.3Å; E123-V126 PolarHBondContact O-N 3.44Å; V126-K130 WeakPolarHBondContact O-CB 3.3Å; V126-K130 PolarHBondContact O-N 3.5Å; V126-A162 HydrophobicContact CG1-CB 4.46Å; V126-K165 HydrophobicContact CG2-CB 3.89Å; V126-K165 HydrophobicContact CG2-CG 3.83Å; V126-A166 HydrophobicContact CG1-CB 3.85Å; V126-A166 HydrophobicContact CG2-CB 3.92Å; V126-L170 HydrophobicContact CB-CD1 4.05Å; V126-L170 HydrophobicContact CG1-CD1 4.09Å; V126-L170 HydrophobicContact CG2-CD1 3.95Å; V126-I176 HydrophobicContact CB-CG2 4.18Å; V126-I176 HydrophobicContact CG1-CG2 3.66Å; V126-L180 HydrophobicContact CG1-CD2 3.98Å |
| 127 | F | 98.2 | Very high | 97.2 | Very high | 23 Ų | 23 | 35.3 Ų | 35.3 | 10% | 0.101 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -58.7 | -53 | 177.1 | -172.7 | -78.3 | 0 | 0 | 0 | 112.1 | R53 E123 G124 F125 K130 M131 I176 | R53-F127 VanDerWaalsContact CD-CG 3.41Å; R53-F127 HydrophobicContact CG-CD1 3.61Å; R53-F127 HydrophobicContact CG-CD2 4.47Å; R53-F127 HydrophobicContact CG-CE1 3.42Å; R53-F127 VanDerWaalsContact CG-CE1 3.42Å; R53-F127 HydrophobicContact CG-CE2 4.29Å; R53-F127 HydrophobicContact CG-CG 4.14Å; R53-F127 HydrophobicContact CG-CZ 3.76Å; E123-F127 WeakPolarHBondContact O-CB 3.44Å; E123-F127 PolarHBondContact O-N 3.49Å; G124-F127 WeakPolarHBondContact O-CB 3.49Å; G124-F127 PolarHBondContact O-N 3.4Å; F125-F127 VanDerWaalsContact C-N 3.29Å; F125-F127 PolarHBondContact O-N 2.91Å; F127-K130 PolarHBondContact O-N 3.29Å; F127-M131 HydrophobicContact CE1-SD 4.36Å; F127-M131 WeakPolarHBondContact O-CB 3.31Å; F127-M131 PolarHBondContact O-N 3.4Å; F127-I176 HydrophobicContact CB-CD1 4.29Å; F127-I176 HydrophobicContact CB-CG2 4.41Å; F127-I176 HydrophobicContact CD2-CD1 3.72Å; F127-I176 HydrophobicContact CD2-CG1 4.12Å |
| 128 | Y | 98.6 | Very high | 97.3 | Very high | 1 Ų | 1 | 28.8 Ų | 28.8 | 0% | 0.004 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -70.8 | -37.5 | -177.3 | -67.8 | -44.1 | 0 | 0 | 0 | 112.5 | R53 L111 L115 L116 E119 G124 F125 M131 E132 | R53-Y128 HydrophobicContact CG-CE1 3.66Å; R53-Y128 WeakPolarHBondContact CG-OH 3.4Å; R53-Y128 PolarHBondContact NE-OH 3.46Å; L111-Y128 HydrophobicContact CD2-CD1 3.61Å; L111-Y128 HydrophobicContact CD2-CG 4Å; L115-Y128 HydrophobicContact CB-CD1 4.24Å; L115-Y128 HydrophobicContact CB-CD2 4.14Å; L115-Y128 HydrophobicContact CB-CE1 4.07Å; L115-Y128 HydrophobicContact CB-CE2 3.95Å; L115-Y128 HydrophobicContact CB-CG 4.3Å; L115-Y128 HydrophobicContact CD1-CD1 4.28Å; L115-Y128 HydrophobicContact CD1-CE1 3.83Å; L115-Y128 HydrophobicContact CD2-CE1 4.44Å; L115-Y128 HydrophobicContact CG-CE1 4.34Å; L116-Y128 VanDerWaalsContact CD2-CB 3.49Å; E119-Y128 HydrophobicContact CB-CD2 4.01Å; E119-Y128 HydrophobicContact CB-CE2 3.99Å; E119-Y128 HydrophobicContact CG-CD2 4Å; E119-Y128 HydrophobicContact CG-CE2 4.01Å; E119-Y128 WeakPolarHBondContact OE2-CE2 3.37Å; G124-Y128 WeakPolarHBondContact O-CD2 3.25Å; G124-Y128 PolarHBondContact O-N 2.91Å; F125-Y128 PolarHBondContact O-N 3.4Å; Y128-M131 CarbonylContact O-C 3.6Å; Y128-M131 WeakPolarHBondContact O-CB 3.15Å; Y128-M131 PolarHBondContact O-N 2.91Å; Y128-E132 WeakPolarHBondContact O-CB 3.45Å; Y128-E132 PolarHBondContact O-N 3.46Å |
| 129 | K | 98.8 | Very high | 97.5 | Very high | 38 Ų | 38 | 27.7 Ų | 27.7 | 17% | 0.165 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -67.9 | -37.8 | 174.4 | -77.3 | -54.1 | -162.1 | 172.9 | 0 | 112.8 | L116 F125 M131 E132 G133 A162 | L116-K129 HydrophobicContact CD1-CD 4.29Å; L116-K129 HydrophobicContact CD2-CD 3.92Å; L116-K129 HydrophobicContact CD2-CG 4.02Å; F125-K129 HydrophobicContact CD1-CG 4.06Å; F125-K129 HydrophobicContact CD2-CG 4.29Å; F125-K129 HydrophobicContact CE1-CB 4.43Å; F125-K129 HydrophobicContact CE1-CG 3.64Å; F125-K129 HydrophobicContact CE2-CG 3.87Å; F125-K129 HydrophobicContact CG-CG 4.4Å; F125-K129 HydrophobicContact CZ-CD 4.35Å; F125-K129 HydrophobicContact CZ-CG 3.54Å; F125-K129 VanDerWaalsContact O-CB 3.32Å; F125-K129 WeakPolarHBondContact O-CB 3.37Å; F125-K129 WeakPolarHBondContact O-CG 3.3Å; F125-K129 PolarHBondContact O-N 2.99Å; K129-M131 VanDerWaalsContact C-N 3.31Å; K129-E132 WeakPolarHBondContact CD-OE2 3.49Å; K129-E132 WeakPolarHBondContact CE-OE2 3.49Å; K129-E132 IonicContact NZ-OE1 3.14Å; K129-E132 PolarHBondContact NZ-OE1 3.46Å; K129-E132 IonicContact NZ-OE2 3.75Å; K129-E132 PolarHBondContact NZ-OE2 2.87Å; K129-E132 PolarHBondContact O-N 2.85Å; K129-G133 PolarHBondContact O-N 3.28Å; K129-A162 HydrophobicContact CB-CB 3.72Å |
| 130 | K | 98.7 | Very high | 97.6 | Very high | 39 Ų | 39 | 26.7 Ų | 26.7 | 17% | 0.17 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -59.2 | -45.9 | 169.5 | 177.5 | -167.3 | 167.6 | -67.3 | 0 | 110.5 | V126 F127 G133 D134 Y159 G179 L180 N183 | V126-K130 WeakPolarHBondContact O-CB 3.3Å; V126-K130 PolarHBondContact O-N 3.5Å; F127-K130 PolarHBondContact O-N 3.29Å; K130-G133 PolarHBondContact O-N 3.46Å; K130-D134 IonicContact NZ-OD2 3.5Å; K130-D134 PolarHBondContact NZ-OD2 2.87Å; K130-D134 VanDerWaalsContact O-CG 3.26Å; K130-D134 PolarHBondContact O-N 3.31Å; K130-Y159 HydrophobicContact CG-CE1 4.49Å; K130-G179 WeakPolarHBondContact CE-O 3.41Å; K130-L180 HydrophobicContact CB-CD1 3.99Å; K130-L180 HydrophobicContact CD-CB 4.05Å; K130-L180 HydrophobicContact CG-CB 4.24Å; K130-L180 HydrophobicContact CG-CD1 3.98Å; K130-N183 WeakPolarHBondContact CE-ND2 3.32Å; K130-N183 PolarHBondContact NZ-ND2 3.47Å |
| 131 | M | 98.7 | Very high | 97.6 | Very high | 6 Ų | 6 | 21.1 Ų | 21.1 | 3% | 0.03 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -61.5 | -47.3 | 177.6 | -168 | 168.2 | -178.6 | 0 | 0 | 110.9 | F56 V107 L111 F127 Y128 K129 G133 D134 Y135 | F56-M131 HydrophobicContact CD1-CE 3.82Å; F56-M131 HydrophobicContact CD1-SD 4.03Å; F56-M131 HydrophobicContact CE1-CE 3.38Å; F56-M131 HydrophobicContact CE1-SD 3.68Å; F56-M131 HydrophobicContact CZ-CE 4.2Å; V107-M131 HydrophobicContact CG1-CE 3.77Å; V107-M131 HydrophobicContact CG1-CG 4.45Å; L111-M131 HydrophobicContact CD1-CB 4.4Å; L111-M131 HydrophobicContact CD1-CG 4.3Å; F127-M131 HydrophobicContact CE1-SD 4.36Å; F127-M131 WeakPolarHBondContact O-CB 3.31Å; F127-M131 PolarHBondContact O-N 3.4Å; Y128-M131 CarbonylContact O-C 3.6Å; Y128-M131 WeakPolarHBondContact O-CB 3.15Å; Y128-M131 PolarHBondContact O-N 2.91Å; K129-M131 VanDerWaalsContact C-N 3.31Å; M131-G133 VanDerWaalsContact C-N 3.31Å; M131-G133 PolarHBondContact O-N 3.48Å; M131-D134 WeakPolarHBondContact O-CA 3.12Å; M131-D134 WeakPolarHBondContact O-CB 3.12Å; M131-D134 PolarHBondContact O-N 2.94Å; M131-Y135 HydrophobicContact CE-CD2 4.46Å; M131-Y135 HydrophobicContact CE-CE2 3.57Å; M131-Y135 HydrophobicContact CG-CD2 3.76Å; M131-Y135 HydrophobicContact CG-CE2 3.62Å; M131-Y135 VanDerWaalsContact O-CD2 3.25Å; M131-Y135 WeakPolarHBondContact O-CD2 3.12Å; M131-Y135 PolarHBondContact O-N 3.29Å; M131-Y135 HydrophobicContact SD-CE2 4.45Å |
| 132 | E | 98.8 | Very high | 97.5 | Very high | 12 Ų | 12 | 18.8 Ų | 18.8 | 6% | 0.056 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -51.8 | -48.7 | 173.6 | -177.5 | -175.5 | 162.3 | 0 | 0 | 112 | L108 L111 H112 L116 Y128 K129 D134 Y135 Y136 A158 | L108-E132 HydrophobicContact CD2-CG 4.01Å; L111-E132 HydrophobicContact CD1-CB 4.06Å; H112-E132 VanDerWaalsContact CE1-CD 3.41Å; H112-E132 IonicContact CE1-OE1 3.86Å; H112-E132 PolarHBondContact CE1-OE1 3.2Å; H112-E132 IonicContact CE1-OE2 3.25Å; H112-E132 IonicContact NE2-OE1 2.65Å; L116-E132 WeakPolarHBondContact CD1-OE2 3.33Å; Y128-E132 WeakPolarHBondContact O-CB 3.45Å; Y128-E132 PolarHBondContact O-N 3.46Å; K129-E132 WeakPolarHBondContact CD-OE2 3.49Å; K129-E132 WeakPolarHBondContact CE-OE2 3.49Å; K129-E132 IonicContact NZ-OE1 3.14Å; K129-E132 PolarHBondContact NZ-OE1 3.46Å; K129-E132 IonicContact NZ-OE2 3.75Å; K129-E132 PolarHBondContact NZ-OE2 2.87Å; K129-E132 PolarHBondContact O-N 2.85Å; E132-D134 PolarHBondContact O-N 3.35Å; E132-Y135 PolarHBondContact O-N 3.34Å; E132-Y136 HydrophobicContact CG-CD2 3.83Å; E132-Y136 HydrophobicContact CG-CE2 3.61Å; E132-Y136 VanDerWaalsContact O-CD2 3.28Å; E132-Y136 WeakPolarHBondContact O-CD2 3.18Å; E132-Y136 PolarHBondContact O-N 2.9Å; E132-A158 HydrophobicContact CB-CB 4.07Å; E132-A158 HydrophobicContact CG-CB 3.85Å |
| 133 | G | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -59 | -43.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | K129 K130 M131 Y135 Y136 R137 S155 Y159 | K129-G133 PolarHBondContact O-N 3.28Å; K130-G133 PolarHBondContact O-N 3.46Å; M131-G133 VanDerWaalsContact C-N 3.31Å; M131-G133 PolarHBondContact O-N 3.48Å; G133-Y135 PolarHBondContact O-N 3.34Å; G133-Y136 PolarHBondContact O-N 3.02Å; G133-R137 VanDerWaalsContact O-CB 3.31Å; G133-R137 WeakPolarHBondContact O-CB 3.14Å; G133-R137 PolarHBondContact O-N 3.5Å; G133-S155 PolarHBondContact O-OG 3.5Å; G133-Y159 VanDerWaalsContact C-CZ 3.43Å |
| 134 | D | 98.7 | Very high | 96.6 | Very high | 8 Ų | 8 | 22.3 Ų | 22.3 | 4% | 0.043 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -58.8 | -44.5 | 176.8 | -70.6 | -35 | 0 | 0 | 0 | 112.3 | K130 M131 E132 R137 Y138 Y159 N183 | K130-D134 IonicContact NZ-OD2 3.5Å; K130-D134 PolarHBondContact NZ-OD2 2.87Å; K130-D134 VanDerWaalsContact O-CG 3.26Å; K130-D134 PolarHBondContact O-N 3.31Å; M131-D134 WeakPolarHBondContact O-CA 3.12Å; M131-D134 WeakPolarHBondContact O-CB 3.12Å; M131-D134 PolarHBondContact O-N 2.94Å; E132-D134 PolarHBondContact O-N 3.35Å; D134-R137 WeakPolarHBondContact O-CB 3.12Å; D134-R137 PolarHBondContact O-N 3.08Å; D134-R137 IonicContact OD1-NH2 3.88Å; D134-Y138 HydrophobicContact CB-CE2 4.13Å; D134-Y138 VanDerWaalsContact O-CD1 3.27Å; D134-Y138 WeakPolarHBondContact O-CD1 3.31Å; D134-Y138 WeakPolarHBondContact O-CD2 3.48Å; D134-Y138 PolarHBondContact O-N 2.91Å; D134-Y159 VanDerWaalsContact CA-OH 3.3Å; D134-Y159 WeakPolarHBondContact CA-OH 3.48Å; D134-Y159 PolarHBondContact N-OH 3.27Å; D134-Y159 PolarHBondContact OD1-OH 3.26Å; D134-N183 VanDerWaalsContact OD1-CB 3.28Å; D134-N183 WeakPolarHBondContact OD1-CB 3.25Å; D134-N183 PolarHBondContact OD1-ND2 3.28Å; D134-N183 PolarHBondContact OD2-ND2 3.42Å |
| 135 | Y | 98.7 | Very high | 95.7 | Very high | 5 Ų | 5 | 25.1 Ų | 25.1 | 2% | 0.02 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -75.6 | -35.4 | -176.6 | -81 | -95.7 | 0 | 0 | 0 | 112.9 | Y60 K61 V64 C104 V107 M131 E132 G133 R137 Y138 L139 | Y60-Y135 WeakPolarHBondContact CB-OH 3.37Å; Y60-Y135 PolarHBondContact O-OH 3.34Å; K61-Y135 PolarHBondContact N-OH 2.91Å; V64-Y135 HydrophobicContact CB-CE1 4.22Å; V64-Y135 HydrophobicContact CG1-CE1 4.09Å; V64-Y135 HydrophobicContact CG2-CE1 4.42Å; C104-Y135 HydrophobicContact CB-CD1 4.11Å; V107-Y135 HydrophobicContact CB-CD1 3.84Å; V107-Y135 HydrophobicContact CB-CE1 3.81Å; V107-Y135 HydrophobicContact CB-CG 4.21Å; V107-Y135 HydrophobicContact CG1-CD1 3.94Å; V107-Y135 HydrophobicContact CG1-CD2 3.79Å; V107-Y135 HydrophobicContact CG1-CE1 3.96Å; V107-Y135 HydrophobicContact CG1-CE2 3.84Å; V107-Y135 HydrophobicContact CG1-CG 3.83Å; V107-Y135 HydrophobicContact CG2-CD1 4.12Å; V107-Y135 HydrophobicContact CG2-CE1 3.56Å; M131-Y135 HydrophobicContact CE-CD2 4.46Å; M131-Y135 HydrophobicContact CE-CE2 3.57Å; M131-Y135 HydrophobicContact CG-CD2 3.76Å; M131-Y135 HydrophobicContact CG-CE2 3.62Å; M131-Y135 VanDerWaalsContact O-CD2 3.25Å; M131-Y135 WeakPolarHBondContact O-CD2 3.12Å; M131-Y135 PolarHBondContact O-N 3.29Å; M131-Y135 HydrophobicContact SD-CE2 4.45Å; E132-Y135 PolarHBondContact O-N 3.34Å; G133-Y135 PolarHBondContact O-N 3.34Å; Y135-R137 VanDerWaalsContact C-N 3.34Å; Y135-Y138 HydrophobicContact CD1-CD2 4.16Å; Y135-Y138 HydrophobicContact CD2-CE2 4.33Å; Y135-Y138 HydrophobicContact CE1-CD2 4.47Å; Y135-Y138 HydrophobicContact CE2-CE2 4.34Å; Y135-Y138 HydrophobicContact CG-CD2 4.24Å; Y135-Y138 HydrophobicContact CG-CE2 4.49Å; Y135-Y138 PolarHBondContact O-N 3.26Å; Y135-L139 WeakPolarHBondContact O-CG 3.3Å; Y135-L139 PolarHBondContact O-N 2.95Å; Y135-L139 VanDerWaalsContact O-N 3.08Å |
| 136 | Y | 98.5 | Very high | 94.6 | Very high | 30 Ų | 30 | 29 Ų | 29 | 12% | 0.118 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -64.9 | -37.9 | 168.2 | -79.4 | -58.9 | 0 | 0 | 0 | 112.3 | L108 E132 G133 L139 A140 V151 H154 | L108-Y136 HydrophobicContact CD1-CD1 3.91Å; L108-Y136 HydrophobicContact CD1-CE1 3.61Å; L108-Y136 HydrophobicContact CD1-CE2 4.4Å; L108-Y136 HydrophobicContact CD1-CG 4.41Å; L108-Y136 HydrophobicContact CD2-CD2 3.87Å; L108-Y136 HydrophobicContact CD2-CE1 4.34Å; L108-Y136 HydrophobicContact CD2-CE2 3.61Å; L108-Y136 HydrophobicContact CD2-CG 4.33Å; E132-Y136 HydrophobicContact CG-CD2 3.83Å; E132-Y136 HydrophobicContact CG-CE2 3.61Å; E132-Y136 VanDerWaalsContact O-CD2 3.28Å; E132-Y136 WeakPolarHBondContact O-CD2 3.18Å; E132-Y136 PolarHBondContact O-N 2.9Å; G133-Y136 PolarHBondContact O-N 3.02Å; Y136-L139 HydrophobicContact CD1-CD1 4.2Å; Y136-L139 WeakPolarHBondContact O-CB 3.45Å; Y136-L139 PolarHBondContact O-N 3.33Å; Y136-A140 PolarHBondContact O-N 2.97Å; Y136-V151 HydrophobicContact CD1-CB 4.14Å; Y136-V151 HydrophobicContact CD1-CG1 4.15Å; Y136-H154 HydrophobicContact CD1-CB 3.89Å; Y136-H154 HydrophobicContact CD2-CB 3.63Å; Y136-H154 HydrophobicContact CE1-CB 3.84Å; Y136-H154 HydrophobicContact CE2-CB 3.58Å; Y136-H154 HydrophobicContact CG-CB 3.8Å |
| 137 | R | 97.8 | Very high | 93.6 | Very high | 11 Ų | 11 | 36 Ų | 36 | 4% | 0.042 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -60.1 | -44.4 | 172.2 | 170.4 | 165.8 | 73.5 | 95.6 | -0.7 | 112 | G133 D134 Y135 L139 A140 E141 Y159 V186 F187 E190 I191 | G133-R137 VanDerWaalsContact O-CB 3.31Å; G133-R137 WeakPolarHBondContact O-CB 3.14Å; G133-R137 PolarHBondContact O-N 3.5Å; D134-R137 WeakPolarHBondContact O-CB 3.12Å; D134-R137 PolarHBondContact O-N 3.08Å; D134-R137 IonicContact OD1-NH2 3.88Å; Y135-R137 VanDerWaalsContact C-N 3.34Å; R137-L139 VanDerWaalsContact C-N 3.28Å; R137-L139 PolarHBondContact O-N 3.29Å; R137-A140 WeakPolarHBondContact O-CB 3.49Å; R137-A140 PolarHBondContact O-N 3.43Å; R137-A140 VanDerWaalsContact O-N 3.1Å; R137-E141 IonicContact NH1-OE1 2.76Å; R137-E141 PolarHBondContact O-N 3.18Å; R137-E141 VanDerWaalsContact O-N 3.11Å; R137-Y159 PolarHBondContact NE-OH 2.97Å; R137-V186 VanDerWaalsContact NH1-CG1 3.34Å; R137-F187 HydrophobicContact CB-CD2 4.31Å; R137-F187 HydrophobicContact CG-CD2 4.4Å; R137-E190 IonicContact NH1-OE2 3.91Å; R137-E190 PolarHBondContact NH1-OE2 3.01Å; R137-I191 HydrophobicContact CG-CD1 4.13Å; R137-I191 HydrophobicContact CG-CG1 3.78Å |
| 138 | Y | 97.9 | Very high | 93 | Very high | 19 Ų | 19 | 36.3 Ų | 36.3 | 8% | 0.075 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -62.8 | -35.9 | 177 | -56.3 | -27.8 | 0 | 0 | 0 | 112.4 | V64 D134 Y135 E141 | V64-Y138 HydrophobicContact CG1-CD2 3.92Å; V64-Y138 HydrophobicContact CG1-CE2 3.74Å; V64-Y138 HydrophobicContact CG2-CD2 3.8Å; V64-Y138 HydrophobicContact CG2-CE2 4.48Å; V64-Y138 HydrophobicContact CG2-CG 4.37Å; D134-Y138 HydrophobicContact CB-CE2 4.13Å; D134-Y138 VanDerWaalsContact O-CD1 3.27Å; D134-Y138 WeakPolarHBondContact O-CD1 3.31Å; D134-Y138 WeakPolarHBondContact O-CD2 3.48Å; D134-Y138 PolarHBondContact O-N 2.91Å; Y135-Y138 HydrophobicContact CD1-CD2 4.16Å; Y135-Y138 HydrophobicContact CD2-CE2 4.33Å; Y135-Y138 HydrophobicContact CE1-CD2 4.47Å; Y135-Y138 HydrophobicContact CE2-CE2 4.34Å; Y135-Y138 HydrophobicContact CG-CD2 4.24Å; Y135-Y138 HydrophobicContact CG-CE2 4.49Å; Y135-Y138 PolarHBondContact O-N 3.26Å; Y138-E141 PolarHBondContact O-N 3.09Å |
| 139 | L | 97.5 | Very high | 92.7 | Very high | 10 Ų | 10 | 39.3 Ų | 39.3 | 5% | 0.052 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -64.7 | -42.3 | 171.2 | -71.2 | 172.9 | 0 | 0 | 0 | 111.7 | Q101 C104 L108 Y135 Y136 R137 E141 V142 L143 V151 | Q101-L139 HydrophobicContact CB-CD2 4.14Å; Q101-L139 HydrophobicContact CG-CD2 3.77Å; C104-L139 HydrophobicContact CB-CD1 4.04Å; C104-L139 HydrophobicContact CB-CD2 3.62Å; C104-L139 HydrophobicContact CB-CG 3.65Å; L108-L139 HydrophobicContact CD1-CD1 3.76Å; Y135-L139 WeakPolarHBondContact O-CG 3.3Å; Y135-L139 PolarHBondContact O-N 2.95Å; Y135-L139 VanDerWaalsContact O-N 3.08Å; Y136-L139 HydrophobicContact CD1-CD1 4.2Å; Y136-L139 WeakPolarHBondContact O-CB 3.45Å; Y136-L139 PolarHBondContact O-N 3.33Å; R137-L139 VanDerWaalsContact C-N 3.28Å; R137-L139 PolarHBondContact O-N 3.29Å; L139-E141 PolarHBondContact O-N 3.38Å; L139-V142 WeakPolarHBondContact O-CG2 3.17Å; L139-V142 PolarHBondContact O-N 2.77Å; L139-V142 VanDerWaalsContact O-N 3.14Å; L139-L143 HydrophobicContact CB-CD1 4.03Å; L139-L143 WeakPolarHBondContact O-CB 3.33Å; L139-L143 VanDerWaalsContact O-CG 3.3Å; L139-L143 WeakPolarHBondContact O-CG 3.49Å; L139-L143 PolarHBondContact O-N 2.94Å; L139-V151 HydrophobicContact CB-CB 4.34Å; L139-V151 HydrophobicContact CB-CG1 4.2Å; L139-V151 HydrophobicContact CB-CG2 4.41Å; L139-V151 HydrophobicContact CD1-CG1 4.35Å |
| 140 | A | 96 | Very high | 92.5 | Very high | 10 Ų | 10 | 42.3 Ų | 42.3 | 8% | 0.083 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -60.8 | -31.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y136 R137 V142 V151 V152 I191 | Y136-A140 PolarHBondContact O-N 2.97Å; R137-A140 WeakPolarHBondContact O-CB 3.49Å; R137-A140 PolarHBondContact O-N 3.43Å; R137-A140 VanDerWaalsContact O-N 3.1Å; A140-V142 VanDerWaalsContact C-N 3.26Å; A140-V142 PolarHBondContact O-N 2.56Å; A140-V151 HydrophobicContact CB-CG2 3.81Å; A140-V152 HydrophobicContact CB-CG2 3.79Å; A140-I191 HydrophobicContact CB-CD1 4.35Å; A140-I191 HydrophobicContact CB-CG2 3.93Å |
| 141 | E | 93.6 | Very high | 92.4 | Very high | 32 Ų | 32 | 41.1 Ų | 41.1 | 15% | 0.15 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62.7 | -30.6 | 176.5 | -70.5 | 172.5 | -147.3 | 0 | 0 | 113.3 | R68 W71 R72 R137 Y138 L139 I191 | R68-E141 IonicContact CZ-OE1 3.52Å; R68-E141 IonicContact CZ-OE2 3.82Å; R68-E141 IonicContact NE-OE1 2.76Å; R68-E141 PolarHBondContact NE-OE1 3.07Å; R68-E141 IonicContact NE-OE2 2.8Å; R68-E141 PolarHBondContact NE-OE2 2.91Å; R68-E141 VanDerWaalsContact NH2-CD 3.28Å; R68-E141 IonicContact NH2-OE1 3.7Å; R68-E141 PolarHBondContact NH2-OE1 3.34Å; R68-E141 IonicContact NH2-OE2 3.18Å; R68-E141 PolarHBondContact NH2-OE2 3.23Å; W71-E141 WeakPolarHBondContact CH2-O 3.4Å; R72-E141 IonicContact CZ-OE2 3.48Å; R72-E141 IonicContact NH1-OE2 3.98Å; R72-E141 IonicContact NH2-OE1 3.4Å; R72-E141 IonicContact NH2-OE2 2.69Å; R72-E141 PolarHBondContact NH2-OE2 3.31Å; R137-E141 IonicContact NH1-OE1 2.76Å; R137-E141 PolarHBondContact O-N 3.18Å; R137-E141 VanDerWaalsContact O-N 3.11Å; Y138-E141 PolarHBondContact O-N 3.09Å; L139-E141 PolarHBondContact O-N 3.38Å; E141-I191 HydrophobicContact CG-CD1 3.85Å |
| 142 | V | 93.4 | Very high | 92.3 | Very high | 9 Ų | 9 | 41.9 Ų | 41.9 | 6% | 0.055 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -112.9 | -21.5 | -172.8 | -57.5 | 0 | 0 | 0 | 0 | 114.1 | W71 E97 L100 Q101 L139 A140 | W71-V142 HydrophobicContact CD2-CG1 3.9Å; W71-V142 HydrophobicContact CE3-CG1 4.32Å; W71-V142 HydrophobicContact CG-CG1 4.31Å; W71-V142 HydrophobicContact CH2-CG1 4.37Å; W71-V142 HydrophobicContact CZ2-CB 4.5Å; W71-V142 HydrophobicContact CZ2-CG1 3.97Å; E97-V142 HydrophobicContact CG-CB 4.13Å; E97-V142 HydrophobicContact CG-CG1 4.39Å; L100-V142 HydrophobicContact CD1-CG1 3.94Å; L100-V142 HydrophobicContact CD2-CG2 3.99Å; Q101-V142 HydrophobicContact CG-CG2 4.3Å; L139-V142 WeakPolarHBondContact O-CG2 3.17Å; L139-V142 PolarHBondContact O-N 2.77Å; L139-V142 VanDerWaalsContact O-N 3.14Å; A140-V142 VanDerWaalsContact C-N 3.26Å; A140-V142 PolarHBondContact O-N 2.56Å |
| 143 | L | 91.6 | Very high | 92.2 | Very high | 28 Ų | 28 | 46.3 Ų | 46.3 | 15% | 0.147 | 26% | 0.262 | C | S | . | . | trans | -82.7 | 137.2 | 179.3 | -69 | 176.4 | 0 | 0 | 0 | 111.2 | Q101 L139 K147 S148 V151 | Q101-L143 HydrophobicContact CG-CD2 4.44Å; L139-L143 HydrophobicContact CB-CD1 4.03Å; L139-L143 WeakPolarHBondContact O-CB 3.33Å; L139-L143 VanDerWaalsContact O-CG 3.3Å; L139-L143 WeakPolarHBondContact O-CG 3.49Å; L139-L143 PolarHBondContact O-N 2.94Å; L143-K147 HydrophobicContact CD1-CB 4.39Å; L143-S148 VanDerWaalsContact O-CB 3.3Å; L143-S148 WeakPolarHBondContact O-CB 3.39Å; L143-S148 PolarHBondContact O-OG 3.29Å; L143-S148 VanDerWaalsContact O-OG 3.13Å; L143-V151 HydrophobicContact CD1-CG1 3.84Å; L143-V151 HydrophobicContact CD1-CG2 4.1Å | ||
| 144 | T | 81 | Confident | 92.2 | Very high | 123 Ų | 123 | 49.9 Ų | 49.9 | 76% | 0.755 | 28% | 0.279 | S | S | * | . | trans | -113.4 | 154.8 | 177.7 | 60.1 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 145 | G | 77.9 | Confident | 92.2 | Very high | 58 Ų | 58 | 49.5 Ų | 49.5 | 60% | 0.598 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.8 | -150 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | K147 S148 | G145-K147 VanDerWaalsContact C-N 3.27Å; G145-K147 PolarHBondContact O-N 3.32Å; G145-S148 WeakPolarHBondContact O-CA 3.46Å; G145-S148 WeakPolarHBondContact O-CB 3.14Å; G145-S148 PolarHBondContact O-N 3.06Å |
| 146 | D | 75.2 | Confident | 92.2 | Very high | 147 Ų | 147 | 53.2 Ų | 53.2 | 79% | 0.786 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -59 | -35.8 | -173 | -62.3 | -22.2 | 0 | 0 | 0 | 113.5 | S148 A149 D150 | D146-S148 PolarHBondContact O-N 3.42Å; D146-A149 PolarHBondContact O-N 3.41Å; D146-A149 VanDerWaalsContact O-N 3.09Å; D146-D150 PolarHBondContact O-N 3.19Å |
| 147 | K | 76.8 | Confident | 92.2 | Very high | 148 Ų | 148 | 56 Ų | 56 | 64% | 0.643 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -59.7 | -28.3 | 175.2 | -69.2 | -172.2 | 177.6 | -175.1 | 0 | 112.6 | L143 G145 V151 | L143-K147 HydrophobicContact CD1-CB 4.39Å; G145-K147 VanDerWaalsContact C-N 3.27Å; G145-K147 PolarHBondContact O-N 3.32Å; K147-V151 WeakPolarHBondContact O-CG2 3.42Å |
| 148 | S | 86.9 | Confident | 92.2 | Very high | 29 Ų | 29 | 55.6 Ų | 55.6 | 20% | 0.203 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -69.8 | -42.6 | 176.3 | -163.6 | 0 | 0 | 0 | 0 | 111.1 | L143 G145 D146 D150 V151 V152 | L143-S148 VanDerWaalsContact O-CB 3.3Å; L143-S148 WeakPolarHBondContact O-CB 3.39Å; L143-S148 PolarHBondContact O-OG 3.29Å; L143-S148 VanDerWaalsContact O-OG 3.13Å; G145-S148 WeakPolarHBondContact O-CA 3.46Å; G145-S148 WeakPolarHBondContact O-CB 3.14Å; G145-S148 PolarHBondContact O-N 3.06Å; D146-S148 PolarHBondContact O-N 3.42Å; S148-D150 PolarHBondContact O-N 3.43Å; S148-V151 WeakPolarHBondContact O-CG2 3.25Å; S148-V151 PolarHBondContact O-N 3Å; S148-V152 WeakPolarHBondContact O-CB 3.49Å; S148-V152 WeakPolarHBondContact O-CG2 3.39Å; S148-V152 PolarHBondContact O-N 2.88Å |
| 149 | A | 91.6 | Very high | 92.3 | Very high | 63 Ų | 63 | 54.7 Ų | 54.7 | 52% | 0.521 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -62.5 | -42.2 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | D146 V152 K153 | D146-A149 PolarHBondContact O-N 3.41Å; D146-A149 VanDerWaalsContact O-N 3.09Å; A149-V152 PolarHBondContact O-N 3.48Å; A149-K153 PolarHBondContact O-N 3.46Å |
| 150 | D | 94.2 | Very high | 92.3 | Very high | 101 Ų | 101 | 57.9 Ų | 57.9 | 54% | 0.54 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -65.6 | -45 | 178.2 | -74.8 | -24.3 | 0 | 0 | 0 | 111.8 | D146 S148 V152 K153 H154 | D146-D150 PolarHBondContact O-N 3.19Å; S148-D150 PolarHBondContact O-N 3.43Å; D150-V152 VanDerWaalsContact C-N 3.35Å; D150-V152 PolarHBondContact O-N 3.47Å; D150-K153 PolarHBondContact O-N 2.88Å; D150-H154 PolarHBondContact O-N 2.71Å; D150-H154 PolarHBondContact O-ND1 2.91Å |
| 151 | V | 96.3 | Very high | 92.4 | Very high | 15 Ų | 15 | 58.8 Ų | 58.8 | 9% | 0.091 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -67.9 | -34.7 | 178.9 | -61.6 | 0 | 0 | 0 | 0 | 112.3 | Y136 L139 A140 L143 K147 S148 K153 H154 S155 | Y136-V151 HydrophobicContact CD1-CB 4.14Å; Y136-V151 HydrophobicContact CD1-CG1 4.15Å; L139-V151 HydrophobicContact CB-CB 4.34Å; L139-V151 HydrophobicContact CB-CG1 4.2Å; L139-V151 HydrophobicContact CB-CG2 4.41Å; L139-V151 HydrophobicContact CD1-CG1 4.35Å; A140-V151 HydrophobicContact CB-CG2 3.81Å; L143-V151 HydrophobicContact CD1-CG1 3.84Å; L143-V151 HydrophobicContact CD1-CG2 4.1Å; K147-V151 WeakPolarHBondContact O-CG2 3.42Å; S148-V151 WeakPolarHBondContact O-CG2 3.25Å; S148-V151 PolarHBondContact O-N 3Å; V151-K153 VanDerWaalsContact C-N 3.33Å; V151-K153 PolarHBondContact O-N 3.49Å; V151-H154 PolarHBondContact O-N 3.05Å; V151-S155 VanDerWaalsContact O-CB 3.31Å; V151-S155 WeakPolarHBondContact O-CB 3.4Å; V151-S155 PolarHBondContact O-N 3.28Å |
| 152 | V | 97.2 | Very high | 92.7 | Very high | 21 Ų | 21 | 57.3 Ų | 57.3 | 13% | 0.127 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -61.7 | -44.1 | 173.7 | 172.1 | 0 | 0 | 0 | 0 | 110.5 | A140 S148 A149 D150 S155 R156 F187 I191 E192 | A140-V152 HydrophobicContact CB-CG2 3.79Å; S148-V152 WeakPolarHBondContact O-CB 3.49Å; S148-V152 WeakPolarHBondContact O-CG2 3.39Å; S148-V152 PolarHBondContact O-N 2.88Å; A149-V152 PolarHBondContact O-N 3.48Å; D150-V152 VanDerWaalsContact C-N 3.35Å; D150-V152 PolarHBondContact O-N 3.47Å; V152-S155 WeakPolarHBondContact O-CB 3.43Å; V152-S155 PolarHBondContact O-N 3.44Å; V152-R156 WeakPolarHBondContact O-CB 3.3Å; V152-R156 PolarHBondContact O-N 3.28Å; V152-F187 HydrophobicContact CG1-CE2 4.28Å; V152-F187 HydrophobicContact CG1-CZ 4.02Å; V152-I191 HydrophobicContact CG1-CG2 4.24Å; V152-I191 HydrophobicContact CG2-CG2 3.59Å; V152-E192 WeakPolarHBondContact CG1-OE1 3.43Å |
| 153 | K | 96.9 | Very high | 92.9 | Very high | 106 Ų | 106 | 58.6 Ų | 58.6 | 46% | 0.461 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -61.3 | -50.2 | 176.2 | -179 | -176.8 | 168 | -171.9 | 0 | 111.8 | A149 D150 V151 S155 R156 E157 | A149-K153 PolarHBondContact O-N 3.46Å; D150-K153 PolarHBondContact O-N 2.88Å; V151-K153 VanDerWaalsContact C-N 3.33Å; V151-K153 PolarHBondContact O-N 3.49Å; K153-S155 VanDerWaalsContact C-N 3.33Å; K153-S155 PolarHBondContact O-N 3.1Å; K153-R156 WeakPolarHBondContact O-CB 3.45Å; K153-R156 PolarHBondContact O-N 3.34Å; K153-E157 WeakPolarHBondContact CE-OE1 3.49Å; K153-E157 HydrophobicContact CG-CG 4.49Å; K153-E157 IonicContact NZ-OE1 2.83Å; K153-E157 WeakPolarHBondContact O-CG 3.42Å; K153-E157 PolarHBondContact O-N 3.44Å |
| 154 | H | 97.9 | Very high | 93.3 | Very high | 75 Ų | 75 | 64 Ų | 64 | 35% | 0.347 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -61.7 | -40.6 | 178.7 | -68 | 104.8 | 0 | 0 | 0 | 112.1 | Y136 D150 V151 R156 E157 A158 | Y136-H154 HydrophobicContact CD1-CB 3.89Å; Y136-H154 HydrophobicContact CD2-CB 3.63Å; Y136-H154 HydrophobicContact CE1-CB 3.84Å; Y136-H154 HydrophobicContact CE2-CB 3.58Å; Y136-H154 HydrophobicContact CG-CB 3.8Å; D150-H154 PolarHBondContact O-N 2.71Å; D150-H154 PolarHBondContact O-ND1 2.91Å; V151-H154 PolarHBondContact O-N 3.05Å; H154-R156 VanDerWaalsContact C-N 3.35Å; H154-R156 PolarHBondContact O-N 2.75Å; H154-E157 PolarHBondContact O-N 2.64Å; H154-A158 WeakPolarHBondContact O-CB 3.38Å; H154-A158 PolarHBondContact O-N 3.19Å |
| 155 | S | 98.5 | Very high | 94.1 | Very high | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -55.6 | -50.1 | 173.3 | 175.8 | 0 | 0 | 0 | 0 | 111.3 | G133 V151 V152 K153 A158 Y159 F187 | G133-S155 PolarHBondContact O-OG 3.5Å; V151-S155 VanDerWaalsContact O-CB 3.31Å; V151-S155 WeakPolarHBondContact O-CB 3.4Å; V151-S155 PolarHBondContact O-N 3.28Å; V152-S155 WeakPolarHBondContact O-CB 3.43Å; V152-S155 PolarHBondContact O-N 3.44Å; K153-S155 VanDerWaalsContact C-N 3.33Å; K153-S155 PolarHBondContact O-N 3.1Å; S155-A158 PolarHBondContact O-N 2.88Å; S155-Y159 WeakPolarHBondContact O-CD2 3.36Å; S155-Y159 PolarHBondContact O-N 2.94Å; S155-Y159 WeakPolarHBondContact OG-CE2 3.45Å; S155-F187 WeakPolarHBondContact OG-CD2 3.18Å; S155-F187 WeakPolarHBondContact OG-CE2 3.35Å |
| 156 | R | 98.6 | Very high | 95.1 | Very high | 83 Ų | 83 | 58.7 Ų | 58.7 | 31% | 0.313 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -60.6 | -47.8 | 179.2 | -167.3 | -167.5 | -59.2 | 153.7 | -3.8 | 111.8 | V152 K153 H154 A158 Y159 Q160 F187 E192 | V152-R156 WeakPolarHBondContact O-CB 3.3Å; V152-R156 PolarHBondContact O-N 3.28Å; K153-R156 WeakPolarHBondContact O-CB 3.45Å; K153-R156 PolarHBondContact O-N 3.34Å; H154-R156 VanDerWaalsContact C-N 3.35Å; H154-R156 PolarHBondContact O-N 2.75Å; R156-A158 PolarHBondContact O-N 2.85Å; R156-Y159 PolarHBondContact O-N 3.37Å; R156-Q160 WeakPolarHBondContact O-CB 3.44Å; R156-Q160 VanDerWaalsContact O-CG 3.25Å; R156-Q160 WeakPolarHBondContact O-CG 3.31Å; R156-Q160 PolarHBondContact O-N 3.43Å; R156-F187 HydrophobicContact CB-CE1 3.95Å; R156-F187 HydrophobicContact CB-CZ 3.89Å; R156-F187 HydrophobicContact CG-CE1 4.12Å; R156-F187 HydrophobicContact CG-CZ 4.49Å; R156-E192 IonicContact CZ-OE1 2.97Å; R156-E192 IonicContact CZ-OE2 2.76Å; R156-E192 IonicContact NE-OE1 2.64Å; R156-E192 PolarHBondContact NE-OE1 3.5Å; R156-E192 IonicContact NH2-OE1 2.67Å; R156-E192 PolarHBondContact NH2-OE1 3.37Å; R156-E192 IonicContact NH2-OE2 3.42Å; R156-E192 PolarHBondContact NH2-OE2 2.9Å |
| 157 | E | 98.6 | Very high | 96.1 | Very high | 89 Ų | 89 | 55.9 Ų | 55.9 | 42% | 0.416 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -62.6 | -42.4 | -179.7 | -72.9 | 175.7 | 173.8 | 0 | 0 | 111.8 | K153 H154 Q160 A161 | K153-E157 WeakPolarHBondContact CE-OE1 3.49Å; K153-E157 HydrophobicContact CG-CG 4.49Å; K153-E157 IonicContact NZ-OE1 2.83Å; K153-E157 WeakPolarHBondContact O-CG 3.42Å; K153-E157 PolarHBondContact O-N 3.44Å; H154-E157 PolarHBondContact O-N 2.64Å; E157-Q160 PolarHBondContact O-N 3.31Å; E157-A161 WeakPolarHBondContact O-CB 3.25Å; E157-A161 PolarHBondContact O-N 3.37Å |
| 158 | A | 98.8 | Very high | 97.1 | Very high | 1 Ų | 1 | 53.3 Ų | 53.3 | 1% | 0.008 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62.6 | -46.3 | 177 | 0 | 0 | 0 | 0 | 0 | 111.9 | E132 H154 S155 R156 A161 A162 | E132-A158 HydrophobicContact CB-CB 4.07Å; E132-A158 HydrophobicContact CG-CB 3.85Å; H154-A158 WeakPolarHBondContact O-CB 3.38Å; H154-A158 PolarHBondContact O-N 3.19Å; S155-A158 PolarHBondContact O-N 2.88Å; R156-A158 PolarHBondContact O-N 2.85Å; A158-A161 PolarHBondContact O-N 3.28Å; A158-A162 WeakPolarHBondContact O-CB 3.46Å; A158-A162 PolarHBondContact O-N 3.42Å |
| 159 | Y | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -65.9 | -37.9 | 176.1 | -73.6 | -52.6 | 0 | 0 | 0 | 113 | K130 G133 D134 R137 S155 R156 A162 T163 L180 N183 F184 F187 | K130-Y159 HydrophobicContact CG-CE1 4.49Å; G133-Y159 VanDerWaalsContact C-CZ 3.43Å; D134-Y159 VanDerWaalsContact CA-OH 3.3Å; D134-Y159 WeakPolarHBondContact CA-OH 3.48Å; D134-Y159 PolarHBondContact N-OH 3.27Å; D134-Y159 PolarHBondContact OD1-OH 3.26Å; R137-Y159 PolarHBondContact NE-OH 2.97Å; S155-Y159 WeakPolarHBondContact O-CD2 3.36Å; S155-Y159 PolarHBondContact O-N 2.94Å; S155-Y159 WeakPolarHBondContact OG-CE2 3.45Å; R156-Y159 PolarHBondContact O-N 3.37Å; Y159-A162 PolarHBondContact O-N 3.39Å; Y159-T163 VanDerWaalsContact O-CB 3.3Å; Y159-T163 WeakPolarHBondContact O-CB 3.07Å; Y159-T163 PolarHBondContact O-N 2.9Å; Y159-T163 PolarHBondContact O-OG1 3.35Å; Y159-L180 HydrophobicContact CD1-CD1 3.64Å; Y159-L180 HydrophobicContact CE1-CD1 4.36Å; Y159-N183 HydrophobicContact CE1-CB 4.12Å; Y159-F184 VanDerWaalsContact CB-CE2 3.44Å; Y159-F184 HydrophobicContact CD1-CB 4.12Å; Y159-F184 HydrophobicContact CD1-CD2 4.43Å; Y159-F184 HydrophobicContact CD1-CG 4.37Å; Y159-F184 AromaticContact CD2-CD2 3.52Å; Y159-F184 HydrophobicContact CD2-CD2 3.52Å; Y159-F184 AromaticContact CD2-CE2 3.95Å; Y159-F184 HydrophobicContact CD2-CE2 3.95Å; Y159-F184 HydrophobicContact CD2-CG 4.25Å; Y159-F184 HydrophobicContact CE2-CD2 4.37Å; Y159-F184 HydrophobicContact CG-CB 4.07Å; Y159-F184 AromaticContact CG-CD2 3.55Å; Y159-F184 HydrophobicContact CG-CD2 3.55Å; Y159-F184 HydrophobicContact CG-CE2 4.03Å; Y159-F184 AromaticContact CG-CG 3.85Å; Y159-F184 HydrophobicContact CG-CG 3.85Å; Y159-F187 HydrophobicContact CD2-CB 4.15Å; Y159-F187 HydrophobicContact CD2-CD1 4.31Å; Y159-F187 HydrophobicContact CD2-CG 4.07Å; Y159-F187 HydrophobicContact CE2-CB 3.65Å; Y159-F187 HydrophobicContact CE2-CD2 4.16Å; Y159-F187 AromaticContact CE2-CG 3.87Å; Y159-F187 HydrophobicContact CE2-CG 3.87Å |
| 160 | Q | 98.7 | Very high | 97.8 | Very high | 77 Ų | 77 | 53.1 Ų | 53.1 | 36% | 0.36 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -63.4 | -49.5 | 176 | -75.9 | 174 | -25.3 | 0 | 0 | 111.1 | R156 E157 A162 T163 E164 F184 | R156-Q160 WeakPolarHBondContact O-CB 3.44Å; R156-Q160 VanDerWaalsContact O-CG 3.25Å; R156-Q160 WeakPolarHBondContact O-CG 3.31Å; R156-Q160 PolarHBondContact O-N 3.43Å; E157-Q160 PolarHBondContact O-N 3.31Å; Q160-A162 VanDerWaalsContact C-N 3.32Å; Q160-A162 PolarHBondContact O-N 2.97Å; Q160-T163 WeakPolarHBondContact O-CB 3.27Å; Q160-T163 PolarHBondContact O-N 3.27Å; Q160-E164 WeakPolarHBondContact O-CG 3.49Å; Q160-E164 PolarHBondContact O-N 3.48Å; Q160-F184 HydrophobicContact CG-CE1 4.27Å; Q160-F184 HydrophobicContact CG-CZ 3.86Å |
| 161 | A | 98.7 | Very high | 97.7 | Very high | 30 Ų | 30 | 51.4 Ų | 51.4 | 25% | 0.248 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -60.1 | -41.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | E157 A158 T163 K165 | E157-A161 WeakPolarHBondContact O-CB 3.25Å; E157-A161 PolarHBondContact O-N 3.37Å; A158-A161 PolarHBondContact O-N 3.28Å; A161-T163 VanDerWaalsContact C-N 3.33Å; A161-T163 PolarHBondContact O-N 3.09Å; A161-K165 PolarHBondContact O-N 3.39Å; A161-K165 VanDerWaalsContact O-N 3.17Å |
| 162 | A | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -62.2 | -41.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | V126 K129 A158 Y159 Q160 K165 A166 L180 | V126-A162 HydrophobicContact CG1-CB 4.46Å; K129-A162 HydrophobicContact CB-CB 3.72Å; A158-A162 WeakPolarHBondContact O-CB 3.46Å; A158-A162 PolarHBondContact O-N 3.42Å; Y159-A162 PolarHBondContact O-N 3.39Å; Q160-A162 VanDerWaalsContact C-N 3.32Å; Q160-A162 PolarHBondContact O-N 2.97Å; A162-K165 PolarHBondContact O-N 3.03Å; A162-A166 WeakPolarHBondContact O-CB 3.22Å; A162-A166 PolarHBondContact O-N 3.38Å; A162-L180 VanDerWaalsContact C-CD2 3.43Å; A162-L180 HydrophobicContact CB-CD1 3.73Å; A162-L180 HydrophobicContact CB-CD2 3.62Å; A162-L180 HydrophobicContact CB-CG 4.34Å; A162-L180 WeakPolarHBondContact O-CD2 3.35Å |
| 163 | T | 98.8 | Very high | 97.4 | Very high | 36 Ų | 36 | 52.3 Ų | 52.3 | 22% | 0.221 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -69 | -43.8 | -176.7 | -61.2 | 0 | 0 | 0 | 0 | 111.1 | Y159 Q160 A161 A166 N167 | Y159-T163 VanDerWaalsContact O-CB 3.3Å; Y159-T163 WeakPolarHBondContact O-CB 3.07Å; Y159-T163 PolarHBondContact O-N 2.9Å; Y159-T163 PolarHBondContact O-OG1 3.35Å; Q160-T163 WeakPolarHBondContact O-CB 3.27Å; Q160-T163 PolarHBondContact O-N 3.27Å; A161-T163 VanDerWaalsContact C-N 3.33Å; A161-T163 PolarHBondContact O-N 3.09Å; T163-A166 PolarHBondContact O-N 2.99Å; T163-N167 WeakPolarHBondContact O-CB 3.48Å; T163-N167 PolarHBondContact O-N 3.37Å; T163-N167 PolarHBondContact O-ND2 3.13Å |
| 164 | E | 98.5 | Very high | 97.2 | Very high | 141 Ų | 141 | 48.8 Ų | 48.8 | 66% | 0.659 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -58.3 | -49.9 | 175.2 | -72.2 | 173.5 | -170.2 | 0 | 0 | 111.1 | Q160 A166 N167 S168 | Q160-E164 WeakPolarHBondContact O-CG 3.49Å; Q160-E164 PolarHBondContact O-N 3.48Å; E164-A166 PolarHBondContact O-N 3.48Å; E164-N167 PolarHBondContact O-N 2.97Å; E164-S168 WeakPolarHBondContact O-CB 3.42Å; E164-S168 PolarHBondContact O-N 2.67Å; E164-S168 VanDerWaalsContact O-N 3.15Å |
| 165 | K | 98.5 | Very high | 97 | Very high | 70 Ų | 70 | 46.5 Ų | 46.5 | 30% | 0.304 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -64.9 | -41.2 | 178.2 | -171.6 | 67.5 | -178.6 | 155.7 | 0 | 112.2 | F125 V126 A161 A162 S168 D169 | F125-K165 HydrophobicContact CD1-CB 3.75Å; F125-K165 HydrophobicContact CD1-CG 3.6Å; F125-K165 HydrophobicContact CE1-CB 3.78Å; F125-K165 HydrophobicContact CE1-CG 4.07Å; F125-K165 HydrophobicContact CG-CG 4.44Å; V126-K165 HydrophobicContact CG2-CB 3.89Å; V126-K165 HydrophobicContact CG2-CG 3.83Å; A161-K165 PolarHBondContact O-N 3.39Å; A161-K165 VanDerWaalsContact O-N 3.17Å; A162-K165 PolarHBondContact O-N 3.03Å; K165-S168 PolarHBondContact O-N 2.9Å; K165-D169 WeakPolarHBondContact CD-OD2 3.49Å; K165-D169 VanDerWaalsContact CE-OD2 3.26Å; K165-D169 WeakPolarHBondContact CE-OD2 3.48Å; K165-D169 IonicContact NZ-OD1 2.76Å; K165-D169 PolarHBondContact NZ-OD1 3.2Å; K165-D169 IonicContact NZ-OD2 3.32Å; K165-D169 PolarHBondContact NZ-OD2 2.81Å; K165-D169 WeakPolarHBondContact O-CB 3.26Å; K165-D169 PolarHBondContact O-N 2.61Å |
| 166 | A | 98.2 | Very high | 96.9 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -64.9 | -41.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | V126 A162 T163 E164 S168 L170 R177 L180 | V126-A166 HydrophobicContact CG1-CB 3.85Å; V126-A166 HydrophobicContact CG2-CB 3.92Å; A162-A166 WeakPolarHBondContact O-CB 3.22Å; A162-A166 PolarHBondContact O-N 3.38Å; T163-A166 PolarHBondContact O-N 2.99Å; E164-A166 PolarHBondContact O-N 3.48Å; A166-S168 VanDerWaalsContact C-N 3.29Å; A166-S168 PolarHBondContact O-N 2.87Å; A166-L170 HydrophobicContact CB-CD1 4.25Å; A166-L170 WeakPolarHBondContact O-CA 3.45Å; A166-L170 WeakPolarHBondContact O-CB 3.28Å; A166-L170 PolarHBondContact O-N 3.45Å; A166-L170 VanDerWaalsContact O-O 3.04Å; A166-R177 HydrophobicContact CB-CB 4.28Å; A166-R177 HydrophobicContact CB-CG 3.98Å; A166-L180 HydrophobicContact CB-CD2 4Å |
| 167 | N | 97.4 | Very high | 96.8 | Very high | 89 Ų | 89 | 45.1 Ų | 45.1 | 48% | 0.476 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -68.6 | -30.6 | 178.7 | -71 | -15.3 | 0 | 0 | 0 | 112.4 | T163 E164 R177 | T163-N167 WeakPolarHBondContact O-CB 3.48Å; T163-N167 PolarHBondContact O-N 3.37Å; T163-N167 PolarHBondContact O-ND2 3.13Å; E164-N167 PolarHBondContact O-N 2.97Å; N167-R177 VanDerWaalsContact OD1-CZ 3.23Å; N167-R177 PolarHBondContact OD1-NE 2.97Å; N167-R177 VanDerWaalsContact OD1-NE 3.1Å; N167-R177 PolarHBondContact OD1-NH2 3.3Å |
| 168 | S | 97.3 | Very high | 96.8 | Very high | 94 Ų | 94 | 41 Ų | 41 | 66% | 0.657 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -75.9 | -42.4 | 176.9 | 167.1 | 0 | 0 | 0 | 0 | 112.7 | E164 K165 A166 | E164-S168 WeakPolarHBondContact O-CB 3.42Å; E164-S168 PolarHBondContact O-N 2.67Å; E164-S168 VanDerWaalsContact O-N 3.15Å; K165-S168 PolarHBondContact O-N 2.9Å; A166-S168 VanDerWaalsContact C-N 3.29Å; A166-S168 PolarHBondContact O-N 2.87Å |
| 169 | D | 97.1 | Very high | 96.7 | Very high | 72 Ų | 72 | 41.4 Ų | 41.4 | 39% | 0.385 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -119.5 | -13.3 | -163.2 | -64.4 | -111.6 | 0 | 0 | 0 | 115 | A122 K165 | A122-D169 HydrophobicContact CB-CB 3.47Å; A122-D169 VanDerWaalsContact CB-CB 3.47Å; K165-D169 WeakPolarHBondContact CD-OD2 3.49Å; K165-D169 VanDerWaalsContact CE-OD2 3.26Å; K165-D169 WeakPolarHBondContact CE-OD2 3.48Å; K165-D169 IonicContact NZ-OD1 2.76Å; K165-D169 PolarHBondContact NZ-OD1 3.2Å; K165-D169 IonicContact NZ-OD2 3.32Å; K165-D169 PolarHBondContact NZ-OD2 2.81Å; K165-D169 WeakPolarHBondContact O-CB 3.26Å; K165-D169 PolarHBondContact O-N 2.61Å |
| 170 | L | 95 | Very high | 96.7 | Very high | 16 Ų | 16 | 41.6 Ų | 41.6 | 8% | 0.084 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -117.4 | 136.9 | -177.4 | -56.2 | -179.3 | 0 | 0 | 0 | 111.7 | E123 V126 A166 H174 R177 | E123-L170 HydrophobicContact CB-CD2 4.43Å; V126-L170 HydrophobicContact CB-CD1 4.05Å; V126-L170 HydrophobicContact CG1-CD1 4.09Å; V126-L170 HydrophobicContact CG2-CD1 3.95Å; A166-L170 HydrophobicContact CB-CD1 4.25Å; A166-L170 WeakPolarHBondContact O-CA 3.45Å; A166-L170 WeakPolarHBondContact O-CB 3.28Å; A166-L170 PolarHBondContact O-N 3.45Å; A166-L170 VanDerWaalsContact O-O 3.04Å; L170-H174 HydrophobicContact CB-CB 4.1Å; L170-R177 HydrophobicContact CB-CB 4.34Å; L170-R177 HydrophobicContact CD1-CB 4.44Å; L170-R177 PolarHBondContact O-NH1 2.98Å |
| 171 | P | 93.8 | Very high | 96.7 | Very high | 64 Ų | 64 | 38.5 Ų | 38.5 | 42% | 0.416 | 22% | 0.219 | S | C | . | . | trans | -63.5 | 151 | 176.7 | 25.6 | -31.7 | 0 | 0 | 0 | 111 | T173 H174 | P171-T173 PolarHBondContact O-N 2.95Å; P171-T173 VanDerWaalsContact O-N 3.08Å; P171-H174 HydrophobicContact CG-CB 4.03Å; P171-H174 WeakPolarHBondContact O-CB 3.45Å; P171-H174 PolarHBondContact O-N 3.4Å | ||
| 172 | P | 93.4 | Very high | 96.7 | Very high | 19 Ų | 19 | 37.9 Ų | 37.9 | 12% | 0.123 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | -26.9 | 178.6 | -27.7 | 35 | 0 | 0 | 0 | 114.8 | H174 E208 | P172-H174 VanDerWaalsContact C-N 3.31Å; P172-E208 HydrophobicContact CB-CB 3.88Å; P172-E208 HydrophobicContact CG-CB 4.37Å |
| 173 | T | 92.6 | Very high | 96.7 | Very high | 36 Ų | 36 | 39.2 Ų | 39.2 | 22% | 0.221 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | -1.4 | 177.8 | 55.1 | 0 | 0 | 0 | 0 | 113.6 | P171 Q212 L213 S224 | P171-T173 PolarHBondContact O-N 2.95Å; P171-T173 VanDerWaalsContact O-N 3.08Å; T173-Q212 HydrophobicContact CG2-CB 3.72Å; T173-L213 HydrophobicContact CG2-CG 4.12Å; T173-S224 WeakPolarHBondContact O-CB 3.16Å; T173-S224 PolarHBondContact O-OG 2.75Å |
| 174 | H | 93.1 | Very high | 96.7 | Very high | 33 Ų | 33 | 38 Ų | 38 | 15% | 0.153 | 21% | 0.21 | C | C | . | . | trans | -67.8 | 128.1 | -177.3 | -163.1 | -83 | 0 | 0 | 0 | 111.4 | E123 L170 P171 P172 I176 R177 L178 | E123-H174 IonicContact OE2-CE1 3.56Å; E123-H174 IonicContact OE2-NE2 2.69Å; E123-H174 PolarHBondContact OE2-NE2 3.34Å; L170-H174 HydrophobicContact CB-CB 4.1Å; P171-H174 HydrophobicContact CG-CB 4.03Å; P171-H174 WeakPolarHBondContact O-CB 3.45Å; P171-H174 PolarHBondContact O-N 3.4Å; P172-H174 VanDerWaalsContact C-N 3.31Å; H174-I176 VanDerWaalsContact C-N 3.3Å; H174-I176 PolarHBondContact ND1-N 3.13Å; H174-I176 PolarHBondContact O-N 3.01Å; H174-R177 HydrophobicContact CB-CB 4.06Å; H174-R177 PolarHBondContact O-N 2.91Å; H174-L178 PolarHBondContact O-N 3.46Å | ||
| 175 | P | 94.2 | Very high | 96.7 | Very high | 26 Ų | 26 | 31.3 Ų | 31.3 | 17% | 0.169 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -55.9 | -40.6 | -176.3 | -24.5 | 29.2 | 0 | 0 | 0 | 113.8 | L178 G179 D223 S224 | P175-L178 PolarHBondContact O-N 3.37Å; P175-G179 PolarHBondContact O-N 3.32Å; P175-D223 HydrophobicContact CB-CB 4.08Å; P175-D223 HydrophobicContact CG-CB 4.14Å; P175-S224 WeakPolarHBondContact CD-OG 3.36Å; P175-S224 WeakPolarHBondContact CG-OG 3.36Å |
| 176 | I | 95.7 | Very high | 96.7 | Very high | 26 Ų | 26 | 28.9 Ų | 28.9 | 13% | 0.133 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -66.7 | -38.5 | 178.6 | -67.4 | 170.1 | 0 | 0 | 0 | 111.6 | E123 V126 F127 H174 G179 L180 | E123-I176 HydrophobicContact CG-CD1 3.45Å; E123-I176 VanDerWaalsContact CG-CD1 3.45Å; V126-I176 HydrophobicContact CB-CG2 4.18Å; V126-I176 HydrophobicContact CG1-CG2 3.66Å; F127-I176 HydrophobicContact CB-CD1 4.29Å; F127-I176 HydrophobicContact CB-CG2 4.41Å; F127-I176 HydrophobicContact CD2-CD1 3.72Å; F127-I176 HydrophobicContact CD2-CG1 4.12Å; H174-I176 VanDerWaalsContact C-N 3.3Å; H174-I176 PolarHBondContact ND1-N 3.13Å; H174-I176 PolarHBondContact O-N 3.01Å; I176-G179 PolarHBondContact O-N 3.37Å; I176-L180 WeakPolarHBondContact O-CB 3.49Å; I176-L180 PolarHBondContact O-N 2.83Å |
| 177 | R | 97 | Very high | 96.7 | Very high | 28 Ų | 28 | 28.9 Ų | 28.9 | 11% | 0.106 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -68.1 | -43.9 | 177.8 | 179.2 | 171.5 | 177 | -163.2 | -13.9 | 110.9 | A166 N167 L170 H174 L180 A181 E208 | A166-R177 HydrophobicContact CB-CB 4.28Å; A166-R177 HydrophobicContact CB-CG 3.98Å; N167-R177 VanDerWaalsContact OD1-CZ 3.23Å; N167-R177 PolarHBondContact OD1-NE 2.97Å; N167-R177 VanDerWaalsContact OD1-NE 3.1Å; N167-R177 PolarHBondContact OD1-NH2 3.3Å; L170-R177 HydrophobicContact CB-CB 4.34Å; L170-R177 HydrophobicContact CD1-CB 4.44Å; L170-R177 PolarHBondContact O-NH1 2.98Å; H174-R177 HydrophobicContact CB-CB 4.06Å; H174-R177 PolarHBondContact O-N 2.91Å; R177-L180 WeakPolarHBondContact O-CB 3.39Å; R177-L180 PolarHBondContact O-N 3.04Å; R177-A181 PolarHBondContact O-N 3.45Å; R177-E208 IonicContact CZ-OE2 2.77Å; R177-E208 IonicContact NH2-OE2 3.44Å; R177-E208 PolarHBondContact NH2-OE2 3.46Å |
| 178 | L | 97.4 | Very high | 96.7 | Very high | 2 Ų | 2 | 25.8 Ų | 25.8 | 1% | 0.01 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -62.2 | -45.1 | 174.1 | -71 | 169.7 | 0 | 0 | 0 | 111.6 | H174 P175 L180 A181 L182 V227 M228 L231 | H174-L178 PolarHBondContact O-N 3.46Å; P175-L178 PolarHBondContact O-N 3.37Å; L178-L180 VanDerWaalsContact C-N 3.28Å; L178-L180 PolarHBondContact O-N 3.31Å; L178-A181 PolarHBondContact O-N 3.45Å; L178-L182 PolarHBondContact O-N 2.94Å; L178-V227 HydrophobicContact CB-CB 4.15Å; L178-V227 HydrophobicContact CB-CG1 3.64Å; L178-M228 HydrophobicContact CD1-CG 3.99Å; L178-M228 HydrophobicContact CD1-SD 4.29Å; L178-M228 HydrophobicContact CD2-CG 4.09Å; L178-L231 HydrophobicContact CD2-CD1 4.15Å |
| 179 | G | 97.8 | Very high | 96.7 | Very high | 11 Ų | 11 | 23.6 Ų | 23.6 | 11% | 0.113 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -64.6 | -33.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | K130 P175 I176 N183 | K130-G179 WeakPolarHBondContact CE-O 3.41Å; P175-G179 PolarHBondContact O-N 3.32Å; I176-G179 PolarHBondContact O-N 3.37Å; G179-N183 WeakPolarHBondContact O-CB 3.37Å; G179-N183 PolarHBondContact O-N 3.1Å |
| 180 | L | 98.7 | Very high | 96.6 | Very high | 3 Ų | 3 | 25 Ų | 25 | 2% | 0.016 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -63.7 | -49.8 | 171 | 168.6 | 64 | 0 | 0 | 0 | 111.2 | V126 K130 Y159 A162 A166 I176 R177 L178 L182 N183 F184 | V126-L180 HydrophobicContact CG1-CD2 3.98Å; K130-L180 HydrophobicContact CB-CD1 3.99Å; K130-L180 HydrophobicContact CD-CB 4.05Å; K130-L180 HydrophobicContact CG-CB 4.24Å; K130-L180 HydrophobicContact CG-CD1 3.98Å; Y159-L180 HydrophobicContact CD1-CD1 3.64Å; Y159-L180 HydrophobicContact CE1-CD1 4.36Å; A162-L180 VanDerWaalsContact C-CD2 3.43Å; A162-L180 HydrophobicContact CB-CD1 3.73Å; A162-L180 HydrophobicContact CB-CD2 3.62Å; A162-L180 HydrophobicContact CB-CG 4.34Å; A162-L180 WeakPolarHBondContact O-CD2 3.35Å; A166-L180 HydrophobicContact CB-CD2 4Å; I176-L180 WeakPolarHBondContact O-CB 3.49Å; I176-L180 PolarHBondContact O-N 2.83Å; R177-L180 WeakPolarHBondContact O-CB 3.39Å; R177-L180 PolarHBondContact O-N 3.04Å; L178-L180 VanDerWaalsContact C-N 3.28Å; L178-L180 PolarHBondContact O-N 3.31Å; L180-L182 VanDerWaalsContact C-N 3.3Å; L180-L182 PolarHBondContact O-N 3Å; L180-N183 PolarHBondContact O-N 2.91Å; L180-F184 VanDerWaalsContact O-CB 3.32Å; L180-F184 WeakPolarHBondContact O-CB 3.39Å; L180-F184 PolarHBondContact O-N 2.91Å |
| 181 | A | 98.6 | Very high | 96.7 | Very high | 12 Ų | 12 | 26 Ų | 26 | 10% | 0.099 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -60.2 | -41.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | R177 L178 S185 I201 A205 | R177-A181 PolarHBondContact O-N 3.45Å; L178-A181 PolarHBondContact O-N 3.45Å; A181-S185 VanDerWaalsContact O-CB 3.31Å; A181-S185 WeakPolarHBondContact O-CB 3.41Å; A181-S185 PolarHBondContact O-N 3.4Å; A181-S185 PolarHBondContact O-OG 2.88Å; A181-I201 HydrophobicContact CB-CG2 4.2Å; A181-A205 HydrophobicContact CB-CB 3.4Å |
| 182 | L | 98.6 | Very high | 96.8 | Very high | 17 Ų | 17 | 25.4 Ų | 25.4 | 9% | 0.089 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -56.1 | -55.5 | 174.1 | 177.4 | 65.6 | 0 | 0 | 0 | 110.6 | L178 L180 F184 S185 V186 V227 L230 L231 N234 | L178-L182 PolarHBondContact O-N 2.94Å; L180-L182 VanDerWaalsContact C-N 3.3Å; L180-L182 PolarHBondContact O-N 3Å; L182-F184 PolarHBondContact O-N 3.34Å; L182-S185 PolarHBondContact O-N 3.25Å; L182-S185 PolarHBondContact O-OG 3.02Å; L182-V186 WeakPolarHBondContact O-CG2 3.39Å; L182-V186 PolarHBondContact O-N 2.94Å; L182-V186 VanDerWaalsContact O-N 3.12Å; L182-V227 HydrophobicContact CB-CG1 4.23Å; L182-V227 HydrophobicContact CD2-CG1 4.19Å; L182-L230 HydrophobicContact CD1-CB 4.1Å; L182-L230 HydrophobicContact CD2-CB 3.92Å; L182-L230 HydrophobicContact CD2-CD1 3.91Å; L182-L231 HydrophobicContact CB-CD2 3.89Å; L182-L231 HydrophobicContact CB-CG 4.23Å; L182-L231 HydrophobicContact CD1-CD2 3.94Å; L182-L231 HydrophobicContact CD1-CG 4.17Å; L182-N234 VanDerWaalsContact CD1-ND2 3.33Å; L182-N234 WeakPolarHBondContact CD1-ND2 3.36Å |
| 183 | N | 98.5 | Very high | 96.8 | Very high | 28 Ų | 28 | 31.1 Ų | 31.1 | 15% | 0.15 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -68.4 | -36.6 | -175.6 | -75.4 | 12.5 | 0 | 0 | 0 | 113 | K130 D134 Y159 G179 L180 V186 F187 | K130-N183 WeakPolarHBondContact CE-ND2 3.32Å; K130-N183 PolarHBondContact NZ-ND2 3.47Å; D134-N183 VanDerWaalsContact OD1-CB 3.28Å; D134-N183 WeakPolarHBondContact OD1-CB 3.25Å; D134-N183 PolarHBondContact OD1-ND2 3.28Å; D134-N183 PolarHBondContact OD2-ND2 3.42Å; Y159-N183 HydrophobicContact CE1-CB 4.12Å; G179-N183 WeakPolarHBondContact O-CB 3.37Å; G179-N183 PolarHBondContact O-N 3.1Å; L180-N183 PolarHBondContact O-N 2.91Å; N183-V186 PolarHBondContact O-N 3.39Å; N183-F187 PolarHBondContact O-N 2.97Å |
| 184 | F | 98.8 | Very high | 97 | Very high | 11 Ų | 11 | 32.3 Ų | 32.3 | 5% | 0.048 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -70.1 | -34.1 | 177.6 | -165.7 | -166.2 | 0 | 0 | 0 | 111.9 | Y159 Q160 L180 L182 F187 Y188 I201 | Y159-F184 VanDerWaalsContact CB-CE2 3.44Å; Y159-F184 HydrophobicContact CD1-CB 4.12Å; Y159-F184 HydrophobicContact CD1-CD2 4.43Å; Y159-F184 HydrophobicContact CD1-CG 4.37Å; Y159-F184 AromaticContact CD2-CD2 3.52Å; Y159-F184 HydrophobicContact CD2-CD2 3.52Å; Y159-F184 AromaticContact CD2-CE2 3.95Å; Y159-F184 HydrophobicContact CD2-CE2 3.95Å; Y159-F184 HydrophobicContact CD2-CG 4.25Å; Y159-F184 HydrophobicContact CE2-CD2 4.37Å; Y159-F184 HydrophobicContact CG-CB 4.07Å; Y159-F184 AromaticContact CG-CD2 3.55Å; Y159-F184 HydrophobicContact CG-CD2 3.55Å; Y159-F184 HydrophobicContact CG-CE2 4.03Å; Y159-F184 AromaticContact CG-CG 3.85Å; Y159-F184 HydrophobicContact CG-CG 3.85Å; Q160-F184 HydrophobicContact CG-CE1 4.27Å; Q160-F184 HydrophobicContact CG-CZ 3.86Å; L180-F184 VanDerWaalsContact O-CB 3.32Å; L180-F184 WeakPolarHBondContact O-CB 3.39Å; L180-F184 PolarHBondContact O-N 2.91Å; L182-F184 PolarHBondContact O-N 3.34Å; F184-F187 HydrophobicContact CD2-CB 4.26Å; F184-F187 AromaticContact CD2-CD1 3.76Å; F184-F187 HydrophobicContact CD2-CD1 3.76Å; F184-F187 HydrophobicContact CD2-CG 4.36Å; F184-F187 AromaticContact CE2-CD1 3.68Å; F184-F187 HydrophobicContact CE2-CD1 3.68Å; F184-F187 HydrophobicContact CE2-CE1 4.1Å; F184-F187 WeakPolarHBondContact O-CB 3.43Å; F184-F187 PolarHBondContact O-N 3.36Å; F184-Y188 HydrophobicContact CD1-CE2 4.39Å; F184-Y188 AromaticContact CD2-CD2 3.82Å; F184-Y188 HydrophobicContact CD2-CD2 3.82Å; F184-Y188 AromaticContact CD2-CE2 3.69Å; F184-Y188 HydrophobicContact CD2-CE2 3.69Å; F184-Y188 AromaticContact CE1-CE2 3.95Å; F184-Y188 HydrophobicContact CE1-CE2 3.95Å; F184-Y188 AromaticContact CE2-CD2 3.75Å; F184-Y188 HydrophobicContact CE2-CD2 3.75Å; F184-Y188 AromaticContact CE2-CE2 3.16Å; F184-Y188 HydrophobicContact CE2-CE2 3.16Å; F184-Y188 AromaticContact CE2-CZ 3.85Å; F184-Y188 HydrophobicContact CG-CD2 4.41Å; F184-Y188 HydrophobicContact CG-CE2 4.29Å; F184-Y188 HydrophobicContact CZ-CD2 4.27Å; F184-Y188 AromaticContact CZ-CE2 3.32Å; F184-Y188 HydrophobicContact CZ-CE2 3.32Å; F184-Y188 AromaticContact CZ-CZ 3.89Å; F184-Y188 WeakPolarHBondContact O-CD2 3.47Å; F184-Y188 PolarHBondContact O-N 2.99Å; F184-Y188 VanDerWaalsContact O-N 3.09Å; F184-I201 HydrophobicContact CD1-CD1 4.11Å; F184-I201 HydrophobicContact CE1-CD1 4.41Å; F184-I201 HydrophobicContact CG-CD1 4.32Å |
| 185 | S | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -63.2 | -42.8 | 171.7 | 72.2 | 0 | 0 | 0 | 0 | 111.7 | A181 L182 F187 Y188 Y189 A198 W238 | A181-S185 VanDerWaalsContact O-CB 3.31Å; A181-S185 WeakPolarHBondContact O-CB 3.41Å; A181-S185 PolarHBondContact O-N 3.4Å; A181-S185 PolarHBondContact O-OG 2.88Å; L182-S185 PolarHBondContact O-N 3.25Å; L182-S185 PolarHBondContact O-OG 3.02Å; S185-F187 VanDerWaalsContact C-N 3.34Å; S185-F187 PolarHBondContact O-N 3.45Å; S185-Y188 PolarHBondContact O-N 2.81Å; S185-Y189 PolarHBondContact O-N 3.24Å; S185-A198 WeakPolarHBondContact CB-O 3.25Å; S185-A198 WeakPolarHBondContact O-CB 3.33Å; S185-W238 WeakPolarHBondContact OG-CH2 3.42Å |
| 186 | V | 98.2 | Very high | 97.2 | Very high | 20 Ų | 20 | 37.3 Ų | 37.3 | 12% | 0.121 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -63 | -39.6 | 175.4 | 177 | 0 | 0 | 0 | 0 | 111.3 | R137 L182 N183 Y188 Y189 E190 W238 | R137-V186 VanDerWaalsContact NH1-CG1 3.34Å; L182-V186 WeakPolarHBondContact O-CG2 3.39Å; L182-V186 PolarHBondContact O-N 2.94Å; L182-V186 VanDerWaalsContact O-N 3.12Å; N183-V186 PolarHBondContact O-N 3.39Å; V186-Y188 PolarHBondContact O-N 2.88Å; V186-Y189 PolarHBondContact O-N 3.42Å; V186-E190 HydrophobicContact CG1-CG 3.91Å; V186-E190 VanDerWaalsContact CG1-OE2 3.32Å; V186-E190 WeakPolarHBondContact CG1-OE2 3.36Å; V186-E190 WeakPolarHBondContact O-CB 2.85Å; V186-E190 PolarHBondContact O-N 2.74Å; V186-W238 HydrophobicContact CG2-CH2 4.03Å; V186-W238 HydrophobicContact CG2-CZ2 4.06Å |
| 187 | F | 98.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -56.2 | -50.6 | 172.6 | 168.4 | -100.2 | 0 | 0 | 0 | 112.2 | R137 V152 S155 R156 Y159 N183 F184 S185 Y189 I191 E192 | R137-F187 HydrophobicContact CB-CD2 4.31Å; R137-F187 HydrophobicContact CG-CD2 4.4Å; V152-F187 HydrophobicContact CG1-CE2 4.28Å; V152-F187 HydrophobicContact CG1-CZ 4.02Å; S155-F187 WeakPolarHBondContact OG-CD2 3.18Å; S155-F187 WeakPolarHBondContact OG-CE2 3.35Å; R156-F187 HydrophobicContact CB-CE1 3.95Å; R156-F187 HydrophobicContact CB-CZ 3.89Å; R156-F187 HydrophobicContact CG-CE1 4.12Å; R156-F187 HydrophobicContact CG-CZ 4.49Å; Y159-F187 HydrophobicContact CD2-CB 4.15Å; Y159-F187 HydrophobicContact CD2-CD1 4.31Å; Y159-F187 HydrophobicContact CD2-CG 4.07Å; Y159-F187 HydrophobicContact CE2-CB 3.65Å; Y159-F187 HydrophobicContact CE2-CD2 4.16Å; Y159-F187 AromaticContact CE2-CG 3.87Å; Y159-F187 HydrophobicContact CE2-CG 3.87Å; N183-F187 PolarHBondContact O-N 2.97Å; F184-F187 HydrophobicContact CD2-CB 4.26Å; F184-F187 AromaticContact CD2-CD1 3.76Å; F184-F187 HydrophobicContact CD2-CD1 3.76Å; F184-F187 HydrophobicContact CD2-CG 4.36Å; F184-F187 AromaticContact CE2-CD1 3.68Å; F184-F187 HydrophobicContact CE2-CD1 3.68Å; F184-F187 HydrophobicContact CE2-CE1 4.1Å; F184-F187 WeakPolarHBondContact O-CB 3.43Å; F184-F187 PolarHBondContact O-N 3.36Å; S185-F187 VanDerWaalsContact C-N 3.34Å; S185-F187 PolarHBondContact O-N 3.45Å; F187-Y189 PolarHBondContact O-N 2.93Å; F187-I191 HydrophobicContact CD2-CB 3.86Å; F187-I191 HydrophobicContact CD2-CG1 3.92Å; F187-I191 HydrophobicContact CD2-CG2 4.21Å; F187-I191 HydrophobicContact CE2-CB 3.94Å; F187-I191 HydrophobicContact CE2-CG1 4.38Å; F187-I191 HydrophobicContact CE2-CG2 3.81Å; F187-I191 WeakPolarHBondContact O-CA 3.43Å; F187-I191 VanDerWaalsContact O-CB 3.29Å; F187-I191 WeakPolarHBondContact O-CB 3.46Å; F187-I191 PolarHBondContact O-N 2.96Å; F187-E192 HydrophobicContact CD1-CG 4.08Å; F187-E192 HydrophobicContact CE1-CG 3.4Å; F187-E192 WeakPolarHBondContact CE1-OE1 3.49Å; F187-E192 HydrophobicContact CE2-CG 4.42Å; F187-E192 HydrophobicContact CZ-CG 3.61Å; F187-E192 WeakPolarHBondContact CZ-OE1 3.27Å; F187-E192 PolarHBondContact O-N 3.38Å |
| 188 | Y | 98.3 | Very high | 97.4 | Very high | 23 Ų | 23 | 39 Ų | 39 | 9% | 0.09 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -63.4 | -34.4 | 178.7 | -85.3 | -70.3 | 0 | 0 | 0 | 112.3 | F184 S185 V186 E192 N193 N194 K197 I201 | F184-Y188 HydrophobicContact CD1-CE2 4.39Å; F184-Y188 AromaticContact CD2-CD2 3.82Å; F184-Y188 HydrophobicContact CD2-CD2 3.82Å; F184-Y188 AromaticContact CD2-CE2 3.69Å; F184-Y188 HydrophobicContact CD2-CE2 3.69Å; F184-Y188 AromaticContact CE1-CE2 3.95Å; F184-Y188 HydrophobicContact CE1-CE2 3.95Å; F184-Y188 AromaticContact CE2-CD2 3.75Å; F184-Y188 HydrophobicContact CE2-CD2 3.75Å; F184-Y188 AromaticContact CE2-CE2 3.16Å; F184-Y188 HydrophobicContact CE2-CE2 3.16Å; F184-Y188 AromaticContact CE2-CZ 3.85Å; F184-Y188 HydrophobicContact CG-CD2 4.41Å; F184-Y188 HydrophobicContact CG-CE2 4.29Å; F184-Y188 HydrophobicContact CZ-CD2 4.27Å; F184-Y188 AromaticContact CZ-CE2 3.32Å; F184-Y188 HydrophobicContact CZ-CE2 3.32Å; F184-Y188 AromaticContact CZ-CZ 3.89Å; F184-Y188 WeakPolarHBondContact O-CD2 3.47Å; F184-Y188 PolarHBondContact O-N 2.99Å; F184-Y188 VanDerWaalsContact O-N 3.09Å; S185-Y188 PolarHBondContact O-N 2.81Å; V186-Y188 PolarHBondContact O-N 2.88Å; Y188-E192 HydrophobicContact CD1-CB 3.91Å; Y188-E192 HydrophobicContact CD1-CG 3.85Å; Y188-E192 HydrophobicContact CE1-CG 4.19Å; Y188-N193 PolarHBondContact O-N 3.37Å; Y188-N194 HydrophobicContact CD1-CB 4.2Å; Y188-N194 CarbonylContact O-C 3.51Å; Y188-N194 PolarHBondContact O-N 3.38Å; Y188-K197 HydrophobicContact CD1-CB 4.01Å; Y188-K197 HydrophobicContact CD1-CG 3.72Å; Y188-K197 HydrophobicContact CD2-CG 3.85Å; Y188-K197 HydrophobicContact CE1-CB 4.42Å; Y188-K197 HydrophobicContact CE1-CG 3.75Å; Y188-K197 HydrophobicContact CE2-CG 3.81Å; Y188-K197 HydrophobicContact CG-CB 4.13Å; Y188-K197 HydrophobicContact CG-CG 3.78Å; Y188-I201 HydrophobicContact CD2-CD1 3.3Å; Y188-I201 HydrophobicContact CE2-CD1 3.41Å; Y188-I201 VanDerWaalsContact CE2-CD1 3.41Å; Y188-I201 HydrophobicContact CG-CD1 4.4Å |
| 189 | Y | 97.6 | Very high | 97.4 | Very high | 48 Ų | 48 | 39.5 Ų | 39.5 | 19% | 0.188 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -70 | -58.8 | 178.4 | -164.8 | -97.1 | 0 | 0 | 0 | 112.1 | S185 V186 F187 P195 A198 W238 E241 | S185-Y189 PolarHBondContact O-N 3.24Å; V186-Y189 PolarHBondContact O-N 3.42Å; F187-Y189 PolarHBondContact O-N 2.93Å; Y189-P195 HydrophobicContact CD2-CB 3.86Å; Y189-P195 HydrophobicContact CE2-CB 3.69Å; Y189-A198 HydrophobicContact CD2-CB 4.2Å; Y189-W238 AromaticContact CD1-CD1 3.89Å; Y189-W238 AromaticContact CD1-CE2 3.87Å; Y189-W238 HydrophobicContact CD1-CZ2 4.33Å; Y189-W238 AromaticContact CD1-NE1 3.41Å; Y189-W238 HydrophobicContact CD2-CB 4.18Å; Y189-W238 AromaticContact CD2-CD1 3.66Å; Y189-W238 AromaticContact CD2-CD2 3.6Å; Y189-W238 HydrophobicContact CD2-CD2 3.6Å; Y189-W238 AromaticContact CD2-CE2 3.71Å; Y189-W238 HydrophobicContact CD2-CE3 4.23Å; Y189-W238 AromaticContact CD2-CG 3.57Å; Y189-W238 HydrophobicContact CD2-CG 3.57Å; Y189-W238 HydrophobicContact CD2-CZ2 4.39Å; Y189-W238 AromaticContact CD2-NE1 3.73Å; Y189-W238 AromaticContact CE1-CD1 3.49Å; Y189-W238 VanDerWaalsContact CE1-CD1 3.49Å; Y189-W238 HydrophobicContact CE1-CG 4.34Å; Y189-W238 AromaticContact CE1-NE1 3.43Å; Y189-W238 HydrophobicContact CE2-CB 3.65Å; Y189-W238 AromaticContact CE2-CD1 3.26Å; Y189-W238 AromaticContact CE2-CD2 3.91Å; Y189-W238 HydrophobicContact CE2-CD2 3.91Å; Y189-W238 AromaticContact CE2-CG 3.32Å; Y189-W238 HydrophobicContact CE2-CG 3.32Å; Y189-W238 AromaticContact CE2-NE1 3.78Å; Y189-W238 AromaticContact CG-CD1 3.96Å; Y189-W238 AromaticContact CG-CD2 3.98Å; Y189-W238 HydrophobicContact CG-CD2 3.98Å; Y189-W238 AromaticContact CG-CE2 3.57Å; Y189-W238 HydrophobicContact CG-CG 4.2Å; Y189-W238 AromaticContact CG-CZ2 3.93Å; Y189-W238 HydrophobicContact CG-CZ2 3.93Å; Y189-W238 AromaticContact CG-NE1 3.57Å; Y189-W238 AromaticContact CZ-CD1 3.17Å; Y189-W238 AromaticContact CZ-CG 3.75Å; Y189-W238 AromaticContact CZ-NE1 3.63Å; Y189-E241 PolarHBondContact OH-OE2 3.09Å |
| 190 | E | 94.9 | Very high | 97.3 | Very high | 102 Ų | 102 | 41.9 Ų | 41.9 | 48% | 0.477 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -83.4 | -30.4 | -168.1 | -63.9 | -177.1 | 163.6 | 0 | 0 | 113.3 | R137 V186 | R137-E190 IonicContact NH1-OE2 3.91Å; R137-E190 PolarHBondContact NH1-OE2 3.01Å; V186-E190 HydrophobicContact CG1-CG 3.91Å; V186-E190 VanDerWaalsContact CG1-OE2 3.32Å; V186-E190 WeakPolarHBondContact CG1-OE2 3.36Å; V186-E190 WeakPolarHBondContact O-CB 2.85Å; V186-E190 PolarHBondContact O-N 2.74Å |
| 191 | I | 95.7 | Very high | 97.3 | Very high | 37 Ų | 37 | 43 Ų | 43 | 19% | 0.19 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107.6 | -48.7 | -170.7 | -51.3 | -58 | 0 | 0 | 0 | 112.1 | R137 A140 E141 V152 F187 N193 | R137-I191 HydrophobicContact CG-CD1 4.13Å; R137-I191 HydrophobicContact CG-CG1 3.78Å; A140-I191 HydrophobicContact CB-CD1 4.35Å; A140-I191 HydrophobicContact CB-CG2 3.93Å; E141-I191 HydrophobicContact CG-CD1 3.85Å; V152-I191 HydrophobicContact CG1-CG2 4.24Å; V152-I191 HydrophobicContact CG2-CG2 3.59Å; F187-I191 HydrophobicContact CD2-CB 3.86Å; F187-I191 HydrophobicContact CD2-CG1 3.92Å; F187-I191 HydrophobicContact CD2-CG2 4.21Å; F187-I191 HydrophobicContact CE2-CB 3.94Å; F187-I191 HydrophobicContact CE2-CG1 4.38Å; F187-I191 HydrophobicContact CE2-CG2 3.81Å; F187-I191 WeakPolarHBondContact O-CA 3.43Å; F187-I191 VanDerWaalsContact O-CB 3.29Å; F187-I191 WeakPolarHBondContact O-CB 3.46Å; F187-I191 PolarHBondContact O-N 2.96Å; I191-N193 VanDerWaalsContact C-N 3.27Å |
| 192 | E | 96.1 | Very high | 97.3 | Very high | 52 Ų | 52 | 42.4 Ų | 42.4 | 24% | 0.243 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -83.2 | -6.9 | 179.2 | -63.3 | -83.9 | -176.4 | 0 | 0 | 112.7 | V152 R156 F187 Y188 N194 | V152-E192 WeakPolarHBondContact CG1-OE1 3.43Å; R156-E192 IonicContact CZ-OE1 2.97Å; R156-E192 IonicContact CZ-OE2 2.76Å; R156-E192 IonicContact NE-OE1 2.64Å; R156-E192 PolarHBondContact NE-OE1 3.5Å; R156-E192 IonicContact NH2-OE1 2.67Å; R156-E192 PolarHBondContact NH2-OE1 3.37Å; R156-E192 IonicContact NH2-OE2 3.42Å; R156-E192 PolarHBondContact NH2-OE2 2.9Å; F187-E192 HydrophobicContact CD1-CG 4.08Å; F187-E192 HydrophobicContact CE1-CG 3.4Å; F187-E192 WeakPolarHBondContact CE1-OE1 3.49Å; F187-E192 HydrophobicContact CE2-CG 4.42Å; F187-E192 HydrophobicContact CZ-CG 3.61Å; F187-E192 WeakPolarHBondContact CZ-OE1 3.27Å; F187-E192 PolarHBondContact O-N 3.38Å; Y188-E192 HydrophobicContact CD1-CB 3.91Å; Y188-E192 HydrophobicContact CD1-CG 3.85Å; Y188-E192 HydrophobicContact CE1-CG 4.19Å; E192-N194 HydrophobicContact CB-CB 4.19Å; E192-N194 PolarHBondContact O-N 3.5Å; E192-N194 VanDerWaalsContact O-N 3.17Å |
| 193 | N | 94.6 | Very high | 97.2 | Very high | 139 Ų | 139 | 45.4 Ų | 45.4 | 74% | 0.743 | 23% | 0.229 | S | C | * | . | trans | 48.4 | 41.9 | -174.3 | -168.6 | 36.2 | 0 | 0 | 0 | 112.2 | Y188 I191 P195 | Y188-N193 PolarHBondContact O-N 3.37Å; I191-N193 VanDerWaalsContact C-N 3.27Å; N193-P195 VanDerWaalsContact C-CD 3.46Å; N193-P195 VanDerWaalsContact O-CD 3.3Å; N193-P195 WeakPolarHBondContact O-CD 3.29Å | ||
| 194 | N | 96.6 | Very high | 97.1 | Very high | 61 Ų | 61 | 47.2 Ų | 47.2 | 33% | 0.326 | 24% | 0.241 | S | C | . | . | trans | -120 | 76.1 | -177.3 | -169.2 | -26.8 | 0 | 0 | 0 | 110.1 | Y188 E192 E196 K197 A198 | Y188-N194 HydrophobicContact CD1-CB 4.2Å; Y188-N194 CarbonylContact O-C 3.51Å; Y188-N194 PolarHBondContact O-N 3.38Å; E192-N194 HydrophobicContact CB-CB 4.19Å; E192-N194 PolarHBondContact O-N 3.5Å; E192-N194 VanDerWaalsContact O-N 3.17Å; N194-E196 VanDerWaalsContact C-N 3.25Å; N194-E196 PolarHBondContact O-N 2.91Å; N194-K197 HydrophobicContact CB-CB 4.32Å; N194-K197 PolarHBondContact O-N 3.45Å; N194-K197 VanDerWaalsContact OD1-CB 3.26Å; N194-K197 WeakPolarHBondContact OD1-CB 3.43Å; N194-K197 PolarHBondContact OD1-N 2.9Å; N194-A198 PolarHBondContact O-N 3.46Å | ||
| 195 | P | 95.9 | Very high | 97 | Very high | 34 Ų | 34 | 47.3 Ų | 47.3 | 22% | 0.221 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -66.5 | -27.5 | -175.6 | 28.3 | -37.1 | 0 | 0 | 0 | 112.8 | Y189 N193 A198 C199 R242 | Y189-P195 HydrophobicContact CD2-CB 3.86Å; Y189-P195 HydrophobicContact CE2-CB 3.69Å; N193-P195 VanDerWaalsContact C-CD 3.46Å; N193-P195 VanDerWaalsContact O-CD 3.3Å; N193-P195 WeakPolarHBondContact O-CD 3.29Å; P195-A198 PolarHBondContact O-N 2.93Å; P195-C199 WeakPolarHBondContact O-CB 3.42Å; P195-C199 PolarHBondContact O-N 2.94Å; P195-C199 PolarHBondContact O-SG 3.36Å; P195-R242 HydrophobicContact CB-CG 4.39Å |
| 196 | E | 95.6 | Very high | 96.8 | Very high | 130 Ų | 130 | 49 Ų | 49 | 61% | 0.607 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -63.8 | -48.2 | 175.9 | -69 | 173.9 | 178.5 | 0 | 0 | 111.5 | N194 S200 R242 | N194-E196 VanDerWaalsContact C-N 3.25Å; N194-E196 PolarHBondContact O-N 2.91Å; E196-S200 WeakPolarHBondContact O-CB 3.2Å; E196-S200 PolarHBondContact O-N 2.85Å; E196-R242 IonicContact OE1-NH2 3.68Å |
| 197 | K | 97.5 | Very high | 96.6 | Very high | 89 Ų | 89 | 52.5 Ų | 52.5 | 39% | 0.387 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -67.3 | -39.5 | 176.9 | -172.9 | 59.9 | 175.2 | 179.1 | 0 | 111.6 | Y188 N194 S200 I201 | Y188-K197 HydrophobicContact CD1-CB 4.01Å; Y188-K197 HydrophobicContact CD1-CG 3.72Å; Y188-K197 HydrophobicContact CD2-CG 3.85Å; Y188-K197 HydrophobicContact CE1-CB 4.42Å; Y188-K197 HydrophobicContact CE1-CG 3.75Å; Y188-K197 HydrophobicContact CE2-CG 3.81Å; Y188-K197 HydrophobicContact CG-CB 4.13Å; Y188-K197 HydrophobicContact CG-CG 3.78Å; N194-K197 HydrophobicContact CB-CB 4.32Å; N194-K197 PolarHBondContact O-N 3.45Å; N194-K197 VanDerWaalsContact OD1-CB 3.26Å; N194-K197 WeakPolarHBondContact OD1-CB 3.43Å; N194-K197 PolarHBondContact OD1-N 2.9Å; K197-S200 PolarHBondContact O-N 3.35Å; K197-I201 HydrophobicContact CD-CD1 4.41Å; K197-I201 HydrophobicContact CG-CD1 4.12Å; K197-I201 WeakPolarHBondContact O-CG1 3.31Å; K197-I201 PolarHBondContact O-N 3.5Å |
| 198 | A | 97.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -56.8 | -52.3 | 175 | 0 | 0 | 0 | 0 | 0 | 111.7 | S185 Y189 N194 P195 S200 I201 A202 W238 | S185-A198 WeakPolarHBondContact CB-O 3.25Å; S185-A198 WeakPolarHBondContact O-CB 3.33Å; Y189-A198 HydrophobicContact CD2-CB 4.2Å; N194-A198 PolarHBondContact O-N 3.46Å; P195-A198 PolarHBondContact O-N 2.93Å; A198-S200 VanDerWaalsContact C-N 3.34Å; A198-S200 PolarHBondContact O-N 2.97Å; A198-I201 PolarHBondContact O-N 3.17Å; A198-A202 PolarHBondContact O-N 3.49Å; A198-A202 VanDerWaalsContact O-N 3.07Å; A198-W238 HydrophobicContact CB-CE3 4.24Å; A198-W238 HydrophobicContact CB-CZ3 4.02Å |
| 199 | C | 97.4 | Very high | 96 | Very high | 13 Ų | 13 | 55.2 Ų | 55.2 | 9% | 0.088 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61.9 | -41.7 | 177.6 | -66.1 | 0 | 0 | 0 | 0 | 111.7 | P195 I201 A202 Q203 L235 | P195-C199 WeakPolarHBondContact O-CB 3.42Å; P195-C199 PolarHBondContact O-N 2.94Å; P195-C199 PolarHBondContact O-SG 3.36Å; C199-I201 PolarHBondContact O-N 3.5Å; C199-A202 PolarHBondContact O-N 3.04Å; C199-Q203 WeakPolarHBondContact O-CB 3.41Å; C199-Q203 PolarHBondContact O-N 3.17Å; C199-L235 HydrophobicContact CB-CD2 4.11Å; C199-L235 WeakPolarHBondContact O-CD2 3.29Å |
| 200 | S | 97.5 | Very high | 95.5 | Very high | 60 Ų | 60 | 57.2 Ų | 57.2 | 42% | 0.42 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -58.5 | -44.4 | 177.7 | 173.1 | 0 | 0 | 0 | 0 | 112.4 | E196 K197 A198 T204 | E196-S200 WeakPolarHBondContact O-CB 3.2Å; E196-S200 PolarHBondContact O-N 2.85Å; K197-S200 PolarHBondContact O-N 3.35Å; A198-S200 VanDerWaalsContact C-N 3.34Å; A198-S200 PolarHBondContact O-N 2.97Å; S200-T204 WeakPolarHBondContact O-CB 3.4Å; S200-T204 PolarHBondContact O-N 3.26Å; S200-T204 PolarHBondContact O-OG1 2.79Å |
| 201 | I | 98.2 | Very high | 94.8 | Very high | 26 Ų | 26 | 55.2 Ų | 55.2 | 13% | 0.133 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -65 | -50.6 | 178 | -69.5 | 165.4 | 0 | 0 | 0 | 110.6 | A181 F184 Y188 K197 A198 C199 Q203 T204 A205 | A181-I201 HydrophobicContact CB-CG2 4.2Å; F184-I201 HydrophobicContact CD1-CD1 4.11Å; F184-I201 HydrophobicContact CE1-CD1 4.41Å; F184-I201 HydrophobicContact CG-CD1 4.32Å; Y188-I201 HydrophobicContact CD2-CD1 3.3Å; Y188-I201 HydrophobicContact CE2-CD1 3.41Å; Y188-I201 VanDerWaalsContact CE2-CD1 3.41Å; Y188-I201 HydrophobicContact CG-CD1 4.4Å; K197-I201 HydrophobicContact CD-CD1 4.41Å; K197-I201 HydrophobicContact CG-CD1 4.12Å; K197-I201 WeakPolarHBondContact O-CG1 3.31Å; K197-I201 PolarHBondContact O-N 3.5Å; A198-I201 PolarHBondContact O-N 3.17Å; C199-I201 PolarHBondContact O-N 3.5Å; I201-Q203 PolarHBondContact O-N 3.06Å; I201-T204 PolarHBondContact O-N 2.9Å; I201-A205 PolarHBondContact O-N 3.39Å |
| 202 | A | 97.7 | Very high | 94 | Very high | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -62.9 | -42.6 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112 | A198 C199 A205 F206 L231 L235 W238 | A198-A202 PolarHBondContact O-N 3.49Å; A198-A202 VanDerWaalsContact O-N 3.07Å; C199-A202 PolarHBondContact O-N 3.04Å; A202-A205 PolarHBondContact O-N 3.15Å; A202-F206 VanDerWaalsContact O-CB 3.31Å; A202-F206 WeakPolarHBondContact O-CB 3.3Å; A202-F206 PolarHBondContact O-N 3.01Å; A202-L231 HydrophobicContact CB-CD2 3.81Å; A202-L235 HydrophobicContact CB-CD1 4.25Å; A202-L235 HydrophobicContact CB-CD2 3.81Å; A202-L235 HydrophobicContact CB-CG 3.85Å; A202-W238 HydrophobicContact CB-CZ3 4.46Å |
| 203 | Q | 96.5 | Very high | 92.9 | Very high | 81 Ų | 81 | 57.8 Ų | 57.8 | 38% | 0.379 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -64.9 | -42.1 | 178.1 | -173.1 | 68.8 | 67.7 | 0 | 0 | 112.1 | C199 I201 F206 N207 L235 | C199-Q203 WeakPolarHBondContact O-CB 3.41Å; C199-Q203 PolarHBondContact O-N 3.17Å; I201-Q203 PolarHBondContact O-N 3.06Å; Q203-F206 PolarHBondContact O-N 2.77Å; Q203-N207 PolarHBondContact NE2-ND2 3.28Å; Q203-N207 PolarHBondContact NE2-OD1 2.89Å; Q203-N207 WeakPolarHBondContact O-CB 2.97Å; Q203-N207 PolarHBondContact O-N 2.7Å; Q203-N207 PolarHBondContact O-ND2 3.04Å; Q203-L235 HydrophobicContact CB-CD1 4.39Å; Q203-L235 HydrophobicContact CB-CD2 4.22Å |
| 204 | T | 97.1 | Very high | 91.5 | Very high | 66 Ų | 66 | 58 Ų | 58 | 41% | 0.405 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -61.3 | -51 | 178.3 | -58.7 | 0 | 0 | 0 | 0 | 110.2 | S200 I201 F206 N207 E208 | S200-T204 WeakPolarHBondContact O-CB 3.4Å; S200-T204 PolarHBondContact O-N 3.26Å; S200-T204 PolarHBondContact O-OG1 2.79Å; I201-T204 PolarHBondContact O-N 2.9Å; T204-F206 VanDerWaalsContact C-N 3.34Å; T204-F206 PolarHBondContact O-N 2.93Å; T204-N207 PolarHBondContact O-N 2.9Å; T204-E208 HydrophobicContact CG2-CG 4.34Å; T204-E208 WeakPolarHBondContact CG2-OE1 3.35Å; T204-E208 WeakPolarHBondContact O-CB 3.13Å; T204-E208 WeakPolarHBondContact O-CG 3.33Å; T204-E208 PolarHBondContact O-N 3.46Å |
| 205 | A | 96.4 | Very high | 89.9 | Confident | 13 Ų | 13 | 62.7 Ų | 62.7 | 11% | 0.107 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -61.9 | -40.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | A181 I201 A202 S209 L231 | A181-A205 HydrophobicContact CB-CB 3.4Å; I201-A205 PolarHBondContact O-N 3.39Å; A202-A205 PolarHBondContact O-N 3.15Å; A205-S209 WeakPolarHBondContact O-CB 3.24Å; A205-S209 PolarHBondContact O-N 3.16Å; A205-S209 PolarHBondContact O-OG 3.31Å; A205-L231 HydrophobicContact CB-CD1 4.17Å |
| 206 | F | 94.7 | Very high | 88.2 | Confident | 35 Ų | 35 | 64.9 Ų | 64.9 | 15% | 0.154 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -65 | -45.2 | 177.3 | -172.3 | -99.8 | 0 | 0 | 0 | 112.1 | A202 Q203 T204 S209 I210 M228 L231 R232 | A202-F206 VanDerWaalsContact O-CB 3.31Å; A202-F206 WeakPolarHBondContact O-CB 3.3Å; A202-F206 PolarHBondContact O-N 3.01Å; Q203-F206 PolarHBondContact O-N 2.77Å; T204-F206 VanDerWaalsContact C-N 3.34Å; T204-F206 PolarHBondContact O-N 2.93Å; F206-S209 PolarHBondContact O-N 3.08Å; F206-S209 PolarHBondContact O-OG 3.24Å; F206-I210 HydrophobicContact CD1-CD1 3.68Å; F206-I210 HydrophobicContact CD1-CG1 4.43Å; F206-I210 HydrophobicContact CE1-CD1 3.13Å; F206-I210 HydrophobicContact CE1-CG1 4.21Å; F206-I210 HydrophobicContact CE2-CD1 4.22Å; F206-I210 HydrophobicContact CG-CD1 4.44Å; F206-I210 HydrophobicContact CZ-CD1 3.46Å; F206-I210 VanDerWaalsContact CZ-CD1 3.46Å; F206-I210 HydrophobicContact CZ-CG1 4.34Å; F206-I210 WeakPolarHBondContact O-CG1 3.22Å; F206-I210 PolarHBondContact O-N 2.84Å; F206-M228 HydrophobicContact CD2-CB 4.22Å; F206-M228 HydrophobicContact CD2-CE 4.28Å; F206-M228 HydrophobicContact CE2-CB 4.26Å; F206-M228 HydrophobicContact CE2-CE 4.29Å; F206-M228 WeakPolarHBondContact CE2-O 3.32Å; F206-L231 HydrophobicContact CD2-CB 4.48Å; F206-R232 HydrophobicContact CD2-CB 4.39Å; F206-R232 HydrophobicContact CE2-CB 3.82Å; F206-R232 HydrophobicContact CE2-CG 4.41Å; F206-R232 HydrophobicContact CZ-CB 4.18Å; F206-R232 HydrophobicContact CZ-CG 4.27Å |
| 207 | N | 94.3 | Very high | 86.2 | Confident | 93 Ų | 93 | 66.5 Ų | 66.5 | 50% | 0.497 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -68.5 | -42.9 | -179.4 | -71.2 | -9.2 | 0 | 0 | 0 | 112.5 | Q203 T204 S209 G211 | Q203-N207 PolarHBondContact NE2-ND2 3.28Å; Q203-N207 PolarHBondContact NE2-OD1 2.89Å; Q203-N207 WeakPolarHBondContact O-CB 2.97Å; Q203-N207 PolarHBondContact O-N 2.7Å; Q203-N207 PolarHBondContact O-ND2 3.04Å; T204-N207 PolarHBondContact O-N 2.9Å; N207-S209 VanDerWaalsContact C-N 3.28Å; N207-S209 PolarHBondContact O-N 3.22Å; N207-G211 PolarHBondContact O-N 2.93Å |
| 208 | E | 92.5 | Very high | 84.3 | Confident | 80 Ų | 80 | 64.7 Ų | 64.7 | 37% | 0.374 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -64.8 | -32.9 | 178.9 | -71.4 | -178.9 | -178.5 | 0 | 0 | 112.4 | P172 R177 T204 | P172-E208 HydrophobicContact CB-CB 3.88Å; P172-E208 HydrophobicContact CG-CB 4.37Å; R177-E208 IonicContact CZ-OE2 2.77Å; R177-E208 IonicContact NH2-OE2 3.44Å; R177-E208 PolarHBondContact NH2-OE2 3.46Å; T204-E208 HydrophobicContact CG2-CG 4.34Å; T204-E208 WeakPolarHBondContact CG2-OE1 3.35Å; T204-E208 WeakPolarHBondContact O-CB 3.13Å; T204-E208 WeakPolarHBondContact O-CG 3.33Å; T204-E208 PolarHBondContact O-N 3.46Å |
| 209 | S | 90.7 | Very high | 82.8 | Confident | 0 Ų | 0 | 68.3 Ų | 68.3 | 0% | 0 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -81.9 | -37.6 | -179.5 | 52.5 | 0 | 0 | 0 | 0 | 113.5 | A205 F206 N207 G211 Q212 L213 M228 | A205-S209 WeakPolarHBondContact O-CB 3.24Å; A205-S209 PolarHBondContact O-N 3.16Å; A205-S209 PolarHBondContact O-OG 3.31Å; F206-S209 PolarHBondContact O-N 3.08Å; F206-S209 PolarHBondContact O-OG 3.24Å; N207-S209 VanDerWaalsContact C-N 3.28Å; N207-S209 PolarHBondContact O-N 3.22Å; S209-G211 VanDerWaalsContact C-N 3.28Å; S209-G211 PolarHBondContact O-N 3.43Å; S209-Q212 PolarHBondContact O-N 3.45Å; S209-L213 PolarHBondContact O-N 3.25Å; S209-M228 VanDerWaalsContact OG-CE 3.26Å; S209-M228 WeakPolarHBondContact OG-CE 3.33Å; S209-M228 PolarHBondContact OG-SD 3.14Å |
| 210 | I | 87.5 | Confident | 81.7 | Confident | 90 Ų | 90 | 70 Ų | 70 | 46% | 0.462 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -55.3 | -45 | 174.3 | -80.3 | -176.4 | 0 | 0 | 0 | 111.3 | F206 Q212 L213 M228 | F206-I210 HydrophobicContact CD1-CD1 3.68Å; F206-I210 HydrophobicContact CD1-CG1 4.43Å; F206-I210 HydrophobicContact CE1-CD1 3.13Å; F206-I210 HydrophobicContact CE1-CG1 4.21Å; F206-I210 HydrophobicContact CE2-CD1 4.22Å; F206-I210 HydrophobicContact CG-CD1 4.44Å; F206-I210 HydrophobicContact CZ-CD1 3.46Å; F206-I210 VanDerWaalsContact CZ-CD1 3.46Å; F206-I210 HydrophobicContact CZ-CG1 4.34Å; F206-I210 WeakPolarHBondContact O-CG1 3.22Å; F206-I210 PolarHBondContact O-N 2.84Å; I210-Q212 PolarHBondContact O-N 2.88Å; I210-L213 PolarHBondContact O-N 3Å; I210-M228 HydrophobicContact CB-CE 4.44Å; I210-M228 HydrophobicContact CG1-CE 3.48Å; I210-M228 VanDerWaalsContact CG1-CE 3.48Å |
| 211 | G | 79.3 | Confident | 80.9 | Confident | 60 Ų | 60 | 70.1 Ų | 70.1 | 62% | 0.619 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | -6.7 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | N207 S209 | N207-G211 PolarHBondContact O-N 2.93Å; S209-G211 VanDerWaalsContact C-N 3.28Å; S209-G211 PolarHBondContact O-N 3.43Å |
| 212 | Q | 80.9 | Confident | 80.3 | Confident | 106 Ų | 106 | 76.9 Ų | 76.9 | 50% | 0.495 | 43% | 0.432 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -127.9 | 4.9 | -174.5 | -61.9 | -171.7 | 20.8 | 0 | 0 | 113.3 | T173 S209 I210 D214 | T173-Q212 HydrophobicContact CG2-CB 3.72Å; S209-Q212 PolarHBondContact O-N 3.45Å; I210-Q212 PolarHBondContact O-N 2.88Å; Q212-D214 PolarHBondContact O-N 3.01Å |
| 213 | L | 71.7 | Confident | 79.8 | Confident | 38 Ų | 38 | 81.2 Ų | 81.2 | 20% | 0.199 | 46% | 0.455 | C | S | . | . | trans | -84.4 | 40.5 | -175.3 | -110.4 | 165.7 | 0 | 0 | 0 | 113.5 | T173 S209 I210 F221 M228 | T173-L213 HydrophobicContact CG2-CG 4.12Å; S209-L213 PolarHBondContact O-N 3.25Å; I210-L213 PolarHBondContact O-N 3Å; L213-F221 HydrophobicContact CD2-CD2 3.32Å; L213-F221 HydrophobicContact CD2-CE2 3.08Å; L213-F221 HydrophobicContact CD2-CG 4.38Å; L213-F221 HydrophobicContact CD2-CZ 3.95Å; L213-F221 HydrophobicContact CG-CE2 4.45Å; L213-M228 HydrophobicContact CD1-CE 3.49Å; L213-M228 VanDerWaalsContact CD1-CE 3.49Å; L213-M228 HydrophobicContact CD1-SD 3.1Å; L213-M228 WeakPolarHBondContact CD1-SD 3.49Å; L213-M228 HydrophobicContact CG-SD 4.43Å | ||
| 214 | D | 66 | Low | 79.5 | Confident | 143 Ų | 143 | 77.5 Ų | 77.5 | 77% | 0.765 | 44% | 0.438 | S | S | * | . | trans | -93.8 | 4.5 | -178.9 | -75.3 | -22.9 | 0 | 0 | 0 | 113.6 | Q212 P216 | Q212-D214 PolarHBondContact O-N 3.01Å; D214-P216 VanDerWaalsContact O-CD 3.27Å; D214-P216 WeakPolarHBondContact O-CD 3.44Å | ||
| 215 | Q | 62.6 | Low | 79.3 | Confident | 159 Ų | 159 | 77.3 Ų | 77.3 | 74% | 0.743 | 44% | 0.437 | S | S | * | . | trans | -118.4 | 84.2 | -178.1 | -63.7 | -171.8 | 13.9 | 0 | 0 | 112.2 | D217 | Q215-D217 PolarHBondContact O-N 3.45Š| ||
| 216 | P | 59.1 | Low | 79.1 | Confident | 80 Ų | 80 | 81.9 Ų | 81.9 | 52% | 0.519 | 46% | 0.459 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -11.3 | 179.2 | 25.3 | -32.7 | 0 | 0 | 0 | 114.7 | D214 S218 F221 | D214-P216 VanDerWaalsContact O-CD 3.27Å; D214-P216 WeakPolarHBondContact O-CD 3.44Å; P216-S218 VanDerWaalsContact C-N 3.3Å; P216-S218 PolarHBondContact O-N 3.22Å; P216-F221 HydrophobicContact CB-CD2 4.42Å; P216-F221 HydrophobicContact CB-CE2 4.22Å; P216-F221 HydrophobicContact CB-CZ 4.35Å |
| 217 | D | 54.3 | Low | 79.1 | Confident | 165 Ų | 165 | 81.3 Ų | 81.3 | 88% | 0.882 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.3 | 8 | -168.8 | -67.4 | -16.8 | 0 | 0 | 0 | 115.2 | Q215 | Q215-D217 PolarHBondContact O-N 3.45Š|
| 218 | S | 58.6 | Low | 79.1 | Confident | 51 Ų | 51 | 77.5 Ų | 77.5 | 36% | 0.357 | 44% | 0.438 | S | S | . | . | S | Bend | trans | -96.6 | 134 | 173.5 | 66.1 | 0 | 0 | 0 | 0 | 111 | P216 S220 F221 | P216-S218 VanDerWaalsContact C-N 3.3Å; P216-S218 PolarHBondContact O-N 3.22Å; S218-S220 VanDerWaalsContact CB-OG 3.32Å; S218-S220 WeakPolarHBondContact CB-OG 3.44Å; S218-S220 PolarHBondContact O-N 3.48Å; S218-S220 PolarHBondContact OG-OG 2.75Å; S218-F221 WeakPolarHBondContact O-CB 3.37Å; S218-F221 PolarHBondContact O-N 3.44Å; S218-F221 PolarHBondContact OG-N 2.73Å |
| 219 | G | 64.7 | Low | 79.2 | Confident | 76 Ų | 76 | 76.7 Ų | 76.7 | 78% | 0.784 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.8 | -24.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | F221 | G219-F221 VanDerWaalsContact C-N 3.34Š|
| 220 | S | 75.8 | Confident | 79.5 | Confident | 47 Ų | 47 | 80.3 Ų | 80.3 | 33% | 0.329 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -72 | -17.9 | 172.9 | 46.2 | 0 | 0 | 0 | 0 | 114.8 | S218 K222 D223 S224 | S218-S220 VanDerWaalsContact CB-OG 3.32Å; S218-S220 WeakPolarHBondContact CB-OG 3.44Å; S218-S220 PolarHBondContact O-N 3.48Å; S218-S220 PolarHBondContact OG-OG 2.75Å; S220-K222 VanDerWaalsContact C-N 3.29Å; S220-K222 PolarHBondContact O-N 3.49Å; S220-D223 PolarHBondContact O-N 3.27Å; S220-S224 PolarHBondContact O-N 3.48Å; S220-S224 PolarHBondContact O-OG 2.84Å |
| 221 | F | 79.9 | Confident | 80 | Confident | 64 Ų | 64 | 76 Ų | 76 | 28% | 0.281 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -57.5 | -42 | -177.6 | -179.9 | -89.9 | 0 | 0 | 0 | 112.2 | L213 P216 S218 G219 S224 T225 | L213-F221 HydrophobicContact CD2-CD2 3.32Å; L213-F221 HydrophobicContact CD2-CE2 3.08Å; L213-F221 HydrophobicContact CD2-CG 4.38Å; L213-F221 HydrophobicContact CD2-CZ 3.95Å; L213-F221 HydrophobicContact CG-CE2 4.45Å; P216-F221 HydrophobicContact CB-CD2 4.42Å; P216-F221 HydrophobicContact CB-CE2 4.22Å; P216-F221 HydrophobicContact CB-CZ 4.35Å; S218-F221 WeakPolarHBondContact O-CB 3.37Å; S218-F221 PolarHBondContact O-N 3.44Å; S218-F221 PolarHBondContact OG-N 2.73Å; G219-F221 VanDerWaalsContact C-N 3.34Å; F221-S224 PolarHBondContact O-N 2.87Å; F221-T225 WeakPolarHBondContact O-CB 3.47Å; F221-T225 PolarHBondContact O-N 3.2Å; F221-T225 PolarHBondContact O-OG1 3.29Å |
| 222 | K | 85.1 | Confident | 80.8 | Confident | 168 Ų | 168 | 78.8 Ų | 78.8 | 73% | 0.73 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -63.9 | -43.6 | 178.9 | -175.5 | -179.1 | 175.7 | -174.2 | 0 | 111.4 | S220 T225 L226 | S220-K222 VanDerWaalsContact C-N 3.29Å; S220-K222 PolarHBondContact O-N 3.49Å; K222-T225 PolarHBondContact O-N 2.87Å; K222-L226 PolarHBondContact O-N 3.16Å |
| 223 | D | 88 | Confident | 81.5 | Confident | 90 Ų | 90 | 77.2 Ų | 77.2 | 48% | 0.481 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -67 | -44.7 | 179.3 | -65.9 | -19 | 0 | 0 | 0 | 111 | P175 S220 T225 L226 V227 | P175-D223 HydrophobicContact CB-CB 4.08Å; P175-D223 HydrophobicContact CG-CB 4.14Å; S220-D223 PolarHBondContact O-N 3.27Å; D223-T225 VanDerWaalsContact C-N 3.35Å; D223-T225 PolarHBondContact O-N 3.01Å; D223-L226 PolarHBondContact O-N 2.91Å; D223-V227 WeakPolarHBondContact O-CG2 3.33Å; D223-V227 PolarHBondContact O-N 3.42Å |
| 224 | S | 91.1 | Very high | 82.7 | Confident | 3 Ų | 3 | 77 Ų | 77 | 2% | 0.021 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -59.4 | -44.9 | 175.2 | -62.1 | 0 | 0 | 0 | 0 | 112.1 | T173 P175 S220 F221 L226 V227 M228 | T173-S224 WeakPolarHBondContact O-CB 3.16Å; T173-S224 PolarHBondContact O-OG 2.75Å; P175-S224 WeakPolarHBondContact CD-OG 3.36Å; P175-S224 WeakPolarHBondContact CG-OG 3.36Å; S220-S224 PolarHBondContact O-N 3.48Å; S220-S224 PolarHBondContact O-OG 2.84Å; F221-S224 PolarHBondContact O-N 2.87Å; S224-L226 VanDerWaalsContact C-N 3.35Å; S224-L226 PolarHBondContact O-N 3.02Å; S224-V227 PolarHBondContact O-N 2.83Å; S224-M228 WeakPolarHBondContact O-CG 2.97Å; S224-M228 PolarHBondContact O-N 2.61Å |
| 225 | T | 91.1 | Very high | 84.1 | Confident | 63 Ų | 63 | 71 Ų | 71 | 39% | 0.387 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -61.8 | -42.6 | 178.3 | -56.1 | 0 | 0 | 0 | 0 | 111.6 | F221 K222 D223 M228 Q229 | F221-T225 WeakPolarHBondContact O-CB 3.47Å; F221-T225 PolarHBondContact O-N 3.2Å; F221-T225 PolarHBondContact O-OG1 3.29Å; K222-T225 PolarHBondContact O-N 2.87Å; D223-T225 VanDerWaalsContact C-N 3.35Å; D223-T225 PolarHBondContact O-N 3.01Å; T225-M228 PolarHBondContact O-N 3.45Å; T225-Q229 PolarHBondContact O-N 3.02Å |
| 226 | L | 92.7 | Very high | 85.6 | Confident | 109 Ų | 109 | 67.7 Ų | 67.7 | 57% | 0.571 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -61.8 | -43.8 | 176.3 | 178.7 | 62.8 | 0 | 0 | 0 | 111.6 | K222 D223 S224 Q229 L230 | K222-L226 PolarHBondContact O-N 3.16Å; D223-L226 PolarHBondContact O-N 2.91Å; S224-L226 VanDerWaalsContact C-N 3.35Å; S224-L226 PolarHBondContact O-N 3.02Å; L226-Q229 WeakPolarHBondContact O-CB 3.47Å; L226-Q229 PolarHBondContact O-N 2.92Å; L226-L230 WeakPolarHBondContact O-CG 3.26Å; L226-L230 PolarHBondContact O-N 2.74Å; L226-L230 VanDerWaalsContact O-N 3.15Å |
| 227 | V | 94.8 | Very high | 87.3 | Confident | 22 Ų | 22 | 67.8 Ų | 67.8 | 13% | 0.133 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -67.9 | -38.5 | 179.3 | 179.3 | 0 | 0 | 0 | 0 | 111.7 | L178 L182 D223 S224 Q229 L230 L231 | L178-V227 HydrophobicContact CB-CB 4.15Å; L178-V227 HydrophobicContact CB-CG1 3.64Å; L182-V227 HydrophobicContact CB-CG1 4.23Å; L182-V227 HydrophobicContact CD2-CG1 4.19Å; D223-V227 WeakPolarHBondContact O-CG2 3.33Å; D223-V227 PolarHBondContact O-N 3.42Å; S224-V227 PolarHBondContact O-N 2.83Å; V227-Q229 VanDerWaalsContact C-N 3.3Å; V227-Q229 PolarHBondContact O-N 3.47Å; V227-L230 WeakPolarHBondContact O-CB 3.2Å; V227-L230 PolarHBondContact O-N 3.41Å; V227-L231 HydrophobicContact CG1-CD1 4.49Å; V227-L231 WeakPolarHBondContact O-CG 3.35Å; V227-L231 PolarHBondContact O-N 2.83Å |
| 228 | M | 94.2 | Very high | 89.3 | Confident | 13 Ų | 13 | 60.4 Ų | 60.4 | 6% | 0.064 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -64.2 | -36 | 174.8 | -73.9 | 174.5 | 64.2 | 0 | 0 | 112.8 | L178 F206 S209 I210 L213 S224 T225 L230 L231 R232 | L178-M228 HydrophobicContact CD1-CG 3.99Å; L178-M228 HydrophobicContact CD1-SD 4.29Å; L178-M228 HydrophobicContact CD2-CG 4.09Å; F206-M228 HydrophobicContact CD2-CB 4.22Å; F206-M228 HydrophobicContact CD2-CE 4.28Å; F206-M228 HydrophobicContact CE2-CB 4.26Å; F206-M228 HydrophobicContact CE2-CE 4.29Å; F206-M228 WeakPolarHBondContact CE2-O 3.32Å; S209-M228 VanDerWaalsContact OG-CE 3.26Å; S209-M228 WeakPolarHBondContact OG-CE 3.33Å; S209-M228 PolarHBondContact OG-SD 3.14Å; I210-M228 HydrophobicContact CB-CE 4.44Å; I210-M228 HydrophobicContact CG1-CE 3.48Å; I210-M228 VanDerWaalsContact CG1-CE 3.48Å; L213-M228 HydrophobicContact CD1-CE 3.49Å; L213-M228 VanDerWaalsContact CD1-CE 3.49Å; L213-M228 HydrophobicContact CD1-SD 3.1Å; L213-M228 WeakPolarHBondContact CD1-SD 3.49Å; L213-M228 HydrophobicContact CG-SD 4.43Å; S224-M228 WeakPolarHBondContact O-CG 2.97Å; S224-M228 PolarHBondContact O-N 2.61Å; T225-M228 PolarHBondContact O-N 3.45Å; M228-L230 VanDerWaalsContact C-N 3.35Å; M228-L231 PolarHBondContact O-N 2.67Å; M228-R232 PolarHBondContact O-N 3.25Å |
| 229 | Q | 95.3 | Very high | 90.9 | Very high | 64 Ų | 64 | 60.6 Ų | 60.6 | 30% | 0.299 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -60.2 | -46.7 | 172.3 | 179.5 | 54.6 | 37.2 | 0 | 0 | 110.9 | T225 L226 V227 L231 R232 D233 | T225-Q229 PolarHBondContact O-N 3.02Å; L226-Q229 WeakPolarHBondContact O-CB 3.47Å; L226-Q229 PolarHBondContact O-N 2.92Å; V227-Q229 VanDerWaalsContact C-N 3.3Å; V227-Q229 PolarHBondContact O-N 3.47Å; Q229-L231 PolarHBondContact O-N 2.76Å; Q229-R232 WeakPolarHBondContact O-CB 3.19Å; Q229-R232 PolarHBondContact O-N 3.29Å; Q229-D233 PolarHBondContact NE2-OD1 3.45Å; Q229-D233 PolarHBondContact NE2-OD2 3.28Å; Q229-D233 PolarHBondContact O-N 2.75Å |
| 230 | L | 96.9 | Very high | 92.2 | Very high | 76 Ų | 76 | 59.7 Ų | 59.7 | 40% | 0.398 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -62.8 | -39.6 | 176.8 | -65.1 | 172.4 | 0 | 0 | 0 | 112.6 | L182 L226 V227 M228 R232 D233 N234 | L182-L230 HydrophobicContact CD1-CB 4.1Å; L182-L230 HydrophobicContact CD2-CB 3.92Å; L182-L230 HydrophobicContact CD2-CD1 3.91Å; L226-L230 WeakPolarHBondContact O-CG 3.26Å; L226-L230 PolarHBondContact O-N 2.74Å; L226-L230 VanDerWaalsContact O-N 3.15Å; V227-L230 WeakPolarHBondContact O-CB 3.2Å; V227-L230 PolarHBondContact O-N 3.41Å; M228-L230 VanDerWaalsContact C-N 3.35Å; L230-R232 VanDerWaalsContact C-N 3.35Å; L230-R232 PolarHBondContact O-N 2.98Å; L230-D233 PolarHBondContact O-N 2.98Å; L230-N234 PolarHBondContact O-N 3.02Å |
| 231 | L | 97 | Very high | 92.9 | Very high | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -59.5 | -45.6 | 174.2 | -77.8 | 168.9 | 0 | 0 | 0 | 111.6 | L178 L182 A202 A205 F206 V227 M228 Q229 D233 N234 L235 | L178-L231 HydrophobicContact CD2-CD1 4.15Å; L182-L231 HydrophobicContact CB-CD2 3.89Å; L182-L231 HydrophobicContact CB-CG 4.23Å; L182-L231 HydrophobicContact CD1-CD2 3.94Å; L182-L231 HydrophobicContact CD1-CG 4.17Å; A202-L231 HydrophobicContact CB-CD2 3.81Å; A205-L231 HydrophobicContact CB-CD1 4.17Å; F206-L231 HydrophobicContact CD2-CB 4.48Å; V227-L231 HydrophobicContact CG1-CD1 4.49Å; V227-L231 WeakPolarHBondContact O-CG 3.35Å; V227-L231 PolarHBondContact O-N 2.83Å; M228-L231 PolarHBondContact O-N 2.67Å; Q229-L231 PolarHBondContact O-N 2.76Å; L231-D233 VanDerWaalsContact C-N 3.35Å; L231-N234 PolarHBondContact O-N 3.29Å; L231-L235 WeakPolarHBondContact O-CG 3.3Å; L231-L235 PolarHBondContact O-N 3.48Å |
| 232 | R | 96.1 | Very high | 93.1 | Very high | 118 Ų | 118 | 62.8 Ų | 62.8 | 45% | 0.445 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -63.3 | -41.3 | 177.5 | -173.2 | -175.8 | 73 | 179.8 | 5.3 | 112.2 | F206 M228 Q229 L230 L235 T236 | F206-R232 HydrophobicContact CD2-CB 4.39Å; F206-R232 HydrophobicContact CE2-CB 3.82Å; F206-R232 HydrophobicContact CE2-CG 4.41Å; F206-R232 HydrophobicContact CZ-CB 4.18Å; F206-R232 HydrophobicContact CZ-CG 4.27Å; M228-R232 PolarHBondContact O-N 3.25Å; Q229-R232 WeakPolarHBondContact O-CB 3.19Å; Q229-R232 PolarHBondContact O-N 3.29Å; L230-R232 VanDerWaalsContact C-N 3.35Å; L230-R232 PolarHBondContact O-N 2.98Å; R232-L235 PolarHBondContact O-N 2.73Å; R232-T236 PolarHBondContact O-N 3.4Å; R232-T236 PolarHBondContact O-OG1 3.11Å |
| 233 | D | 96.9 | Very high | 93.3 | Very high | 72 Ų | 72 | 60.9 Ų | 60.9 | 39% | 0.385 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -66.9 | -41.8 | -178.7 | -64.7 | -11.6 | 0 | 0 | 0 | 110.5 | Q229 L230 L231 T236 L237 | Q229-D233 PolarHBondContact NE2-OD1 3.45Å; Q229-D233 PolarHBondContact NE2-OD2 3.28Å; Q229-D233 PolarHBondContact O-N 2.75Å; L230-D233 PolarHBondContact O-N 2.98Å; L231-D233 VanDerWaalsContact C-N 3.35Å; D233-T236 PolarHBondContact O-N 3.33Å; D233-L237 WeakPolarHBondContact O-CB 3.44Å; D233-L237 PolarHBondContact O-N 2.89Å |
| 234 | N | 95.6 | Very high | 93.3 | Very high | 35 Ų | 35 | 60.7 Ų | 60.7 | 19% | 0.187 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -61 | -46.5 | 172.2 | -78.6 | 1.7 | 0 | 0 | 0 | 112.4 | L182 L230 L231 T236 L237 W238 | L182-N234 VanDerWaalsContact CD1-ND2 3.33Å; L182-N234 WeakPolarHBondContact CD1-ND2 3.36Å; L230-N234 PolarHBondContact O-N 3.02Å; L231-N234 PolarHBondContact O-N 3.29Å; N234-T236 VanDerWaalsContact C-N 3.3Å; N234-T236 PolarHBondContact O-N 3.49Å; N234-L237 PolarHBondContact O-N 2.75Å; N234-W238 HydrophobicContact CB-CD2 4.15Å; N234-W238 HydrophobicContact CB-CE3 4.04Å; N234-W238 HydrophobicContact CB-CH2 3.72Å; N234-W238 HydrophobicContact CB-CZ2 3.82Å; N234-W238 HydrophobicContact CB-CZ3 3.82Å; N234-W238 WeakPolarHBondContact ND2-CH2 3.42Å; N234-W238 WeakPolarHBondContact O-CB 3.2Å; N234-W238 VanDerWaalsContact O-CD2 3.25Å; N234-W238 PolarHBondContact O-N 2.89Å |
| 235 | L | 95.9 | Very high | 92.9 | Very high | 15 Ų | 15 | 64.8 Ų | 64.8 | 8% | 0.079 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -57.1 | -45.4 | 176.6 | -76.7 | 167.7 | 0 | 0 | 0 | 111.4 | C199 A202 Q203 L231 R232 T239 | C199-L235 HydrophobicContact CB-CD2 4.11Å; C199-L235 WeakPolarHBondContact O-CD2 3.29Å; A202-L235 HydrophobicContact CB-CD1 4.25Å; A202-L235 HydrophobicContact CB-CD2 3.81Å; A202-L235 HydrophobicContact CB-CG 3.85Å; Q203-L235 HydrophobicContact CB-CD1 4.39Å; Q203-L235 HydrophobicContact CB-CD2 4.22Å; L231-L235 WeakPolarHBondContact O-CG 3.3Å; L231-L235 PolarHBondContact O-N 3.48Å; R232-L235 PolarHBondContact O-N 2.73Å; L235-T239 VanDerWaalsContact O-CB 3.27Å; L235-T239 WeakPolarHBondContact O-CB 3.18Å; L235-T239 PolarHBondContact O-N 2.79Å; L235-T239 PolarHBondContact O-OG1 3.4Å |
| 236 | T | 95.5 | Very high | 91.9 | Very high | 90 Ų | 90 | 72 Ų | 72 | 55% | 0.552 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -61.7 | -48.3 | 179.4 | -55.6 | 0 | 0 | 0 | 0 | 111 | R232 D233 N234 S240 | R232-T236 PolarHBondContact O-N 3.4Å; R232-T236 PolarHBondContact O-OG1 3.11Å; D233-T236 PolarHBondContact O-N 3.33Å; N234-T236 VanDerWaalsContact C-N 3.3Å; N234-T236 PolarHBondContact O-N 3.49Å; T236-S240 WeakPolarHBondContact O-CB 3.07Å; T236-S240 PolarHBondContact O-N 2.93Å; T236-S240 VanDerWaalsContact O-N 3.1Å; T236-S240 PolarHBondContact O-OG 3.29Å |
| 237 | L | 94.9 | Very high | 91.9 | Very high | 83 Ų | 83 | 70.1 Ų | 70.1 | 44% | 0.435 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -59.6 | -54.9 | 178.8 | 179.1 | 64.2 | 0 | 0 | 0 | 111.1 | D233 N234 T239 S240 E241 | D233-L237 WeakPolarHBondContact O-CB 3.44Å; D233-L237 PolarHBondContact O-N 2.89Å; N234-L237 PolarHBondContact O-N 2.75Å; L237-T239 PolarHBondContact O-N 3.26Å; L237-S240 PolarHBondContact O-N 3.29Å; L237-S240 VanDerWaalsContact O-N 3.17Å; L237-S240 PolarHBondContact O-OG 3.08Å; L237-E241 HydrophobicContact CD1-CG 4.42Å; L237-E241 PolarHBondContact O-N 3.05Å |
| 238 | W | 95.8 | Very high | 91.7 | Very high | 9 Ų | 9 | 72.6 Ų | 72.6 | 3% | 0.034 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -68 | -34.3 | -174.2 | -59.1 | -24.8 | 0 | 0 | 0 | 113.1 | S185 V186 Y189 A198 A202 N234 R242 | S185-W238 WeakPolarHBondContact OG-CH2 3.42Å; V186-W238 HydrophobicContact CG2-CH2 4.03Å; V186-W238 HydrophobicContact CG2-CZ2 4.06Å; Y189-W238 AromaticContact CD1-CD1 3.89Å; Y189-W238 AromaticContact CD1-CE2 3.87Å; Y189-W238 HydrophobicContact CD1-CZ2 4.33Å; Y189-W238 AromaticContact CD1-NE1 3.41Å; Y189-W238 HydrophobicContact CD2-CB 4.18Å; Y189-W238 AromaticContact CD2-CD1 3.66Å; Y189-W238 AromaticContact CD2-CD2 3.6Å; Y189-W238 HydrophobicContact CD2-CD2 3.6Å; Y189-W238 AromaticContact CD2-CE2 3.71Å; Y189-W238 HydrophobicContact CD2-CE3 4.23Å; Y189-W238 AromaticContact CD2-CG 3.57Å; Y189-W238 HydrophobicContact CD2-CG 3.57Å; Y189-W238 HydrophobicContact CD2-CZ2 4.39Å; Y189-W238 AromaticContact CD2-NE1 3.73Å; Y189-W238 AromaticContact CE1-CD1 3.49Å; Y189-W238 VanDerWaalsContact CE1-CD1 3.49Å; Y189-W238 HydrophobicContact CE1-CG 4.34Å; Y189-W238 AromaticContact CE1-NE1 3.43Å; Y189-W238 HydrophobicContact CE2-CB 3.65Å; Y189-W238 AromaticContact CE2-CD1 3.26Å; Y189-W238 AromaticContact CE2-CD2 3.91Å; Y189-W238 HydrophobicContact CE2-CD2 3.91Å; Y189-W238 AromaticContact CE2-CG 3.32Å; Y189-W238 HydrophobicContact CE2-CG 3.32Å; Y189-W238 AromaticContact CE2-NE1 3.78Å; Y189-W238 AromaticContact CG-CD1 3.96Å; Y189-W238 AromaticContact CG-CD2 3.98Å; Y189-W238 HydrophobicContact CG-CD2 3.98Å; Y189-W238 AromaticContact CG-CE2 3.57Å; Y189-W238 HydrophobicContact CG-CG 4.2Å; Y189-W238 AromaticContact CG-CZ2 3.93Å; Y189-W238 HydrophobicContact CG-CZ2 3.93Å; Y189-W238 AromaticContact CG-NE1 3.57Å; Y189-W238 AromaticContact CZ-CD1 3.17Å; Y189-W238 AromaticContact CZ-CG 3.75Å; Y189-W238 AromaticContact CZ-NE1 3.63Å; A198-W238 HydrophobicContact CB-CE3 4.24Å; A198-W238 HydrophobicContact CB-CZ3 4.02Å; A202-W238 HydrophobicContact CB-CZ3 4.46Å; N234-W238 HydrophobicContact CB-CD2 4.15Å; N234-W238 HydrophobicContact CB-CE3 4.04Å; N234-W238 HydrophobicContact CB-CH2 3.72Å; N234-W238 HydrophobicContact CB-CZ2 3.82Å; N234-W238 HydrophobicContact CB-CZ3 3.82Å; N234-W238 WeakPolarHBondContact ND2-CH2 3.42Å; N234-W238 WeakPolarHBondContact O-CB 3.2Å; N234-W238 VanDerWaalsContact O-CD2 3.25Å; N234-W238 PolarHBondContact O-N 2.89Å; W238-R242 VanDerWaalsContact O-CG 3.24Å; W238-R242 WeakPolarHBondContact O-CG 3.34Å; W238-R242 PolarHBondContact O-N 2.76Å; W238-R242 VanDerWaalsContact O-N 3.14Å |
| 239 | T | 91.5 | Very high | 91.6 | Very high | 56 Ų | 56 | 75.9 Ų | 75.9 | 34% | 0.344 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -65.3 | -43.4 | 172.5 | -64 | 0 | 0 | 0 | 0 | 111 | L235 L237 E241 R242 E243 | L235-T239 VanDerWaalsContact O-CB 3.27Å; L235-T239 WeakPolarHBondContact O-CB 3.18Å; L235-T239 PolarHBondContact O-N 2.79Å; L235-T239 PolarHBondContact O-OG1 3.4Å; L237-T239 PolarHBondContact O-N 3.26Å; T239-E241 PolarHBondContact O-N 3.06Å; T239-R242 PolarHBondContact O-N 3.4Å; T239-E243 WeakPolarHBondContact O-CG 3.19Å; T239-E243 PolarHBondContact O-N 3.23Å |
| 240 | S | 91.1 | Very high | 91.4 | Very high | 56 Ų | 56 | 76.6 Ų | 76.6 | 39% | 0.392 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -64.4 | -39.6 | 178.3 | 73.7 | 0 | 0 | 0 | 0 | 113.2 | T236 L237 R242 E243 A244 | T236-S240 WeakPolarHBondContact O-CB 3.07Å; T236-S240 PolarHBondContact O-N 2.93Å; T236-S240 VanDerWaalsContact O-N 3.1Å; T236-S240 PolarHBondContact O-OG 3.29Å; L237-S240 PolarHBondContact O-N 3.29Å; L237-S240 VanDerWaalsContact O-N 3.17Å; L237-S240 PolarHBondContact O-OG 3.08Å; S240-R242 VanDerWaalsContact C-N 3.34Å; S240-R242 PolarHBondContact O-N 3.25Å; S240-E243 PolarHBondContact O-N 2.64Å; S240-A244 WeakPolarHBondContact O-CB 3.37Å; S240-A244 PolarHBondContact O-N 3.36Å |
| 241 | E | 90.7 | Very high | 91 | Very high | 90 Ų | 90 | 76.7 Ų | 76.7 | 42% | 0.421 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -66.1 | -36.5 | 176.9 | -72.2 | -177.2 | 176.5 | 0 | 0 | 111.8 | Y189 L237 T239 A245 | Y189-E241 PolarHBondContact OH-OE2 3.09Å; L237-E241 HydrophobicContact CD1-CG 4.42Å; L237-E241 PolarHBondContact O-N 3.05Å; T239-E241 PolarHBondContact O-N 3.06Å; E241-A245 WeakPolarHBondContact O-CB 3.29Å; E241-A245 PolarHBondContact O-N 2.86Å; E241-A245 VanDerWaalsContact O-N 3.16Å |
| 242 | R | 85.8 | Confident | 90.6 | Very high | 87 Ų | 87 | 81.8 Ų | 81.8 | 33% | 0.328 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -67.8 | -39.8 | 175.1 | -73.3 | 176.5 | 73.8 | -155 | 0.1 | 112.8 | P195 E196 W238 T239 S240 A245 | P195-R242 HydrophobicContact CB-CG 4.39Å; E196-R242 IonicContact OE1-NH2 3.68Å; W238-R242 VanDerWaalsContact O-CG 3.24Å; W238-R242 WeakPolarHBondContact O-CG 3.34Å; W238-R242 PolarHBondContact O-N 2.76Å; W238-R242 VanDerWaalsContact O-N 3.14Å; T239-R242 PolarHBondContact O-N 3.4Å; S240-R242 VanDerWaalsContact C-N 3.34Å; S240-R242 PolarHBondContact O-N 3.25Å; R242-A245 PolarHBondContact O-N 3.1Å |
| 243 | E | 87.7 | Confident | 90.2 | Very high | 128 Ų | 128 | 79.2 Ų | 79.2 | 60% | 0.598 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -67.9 | -37.9 | 176.8 | -72.4 | 174.6 | -178.8 | 0 | 0 | 111.5 | T239 S240 A245 Q246 | T239-E243 WeakPolarHBondContact O-CG 3.19Å; T239-E243 PolarHBondContact O-N 3.23Å; S240-E243 PolarHBondContact O-N 2.64Å; E243-A245 VanDerWaalsContact C-N 3.28Å; E243-A245 PolarHBondContact O-N 3.45Å; E243-Q246 PolarHBondContact O-N 2.91Å |
| 244 | A | 88.3 | Confident | 89.7 | Confident | 86 Ų | 86 | 79.8 Ų | 79.8 | 71% | 0.711 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -71.4 | -20.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114 | S240 | S240-A244 WeakPolarHBondContact O-CB 3.37Å; S240-A244 PolarHBondContact O-N 3.36Å |
| 245 | A | 83.5 | Confident | 89.2 | Confident | 89 Ų | 89 | 83.5 Ų | 83.5 | 74% | 0.736 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.2 | -6.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114 | E241 R242 E243 | E241-A245 WeakPolarHBondContact O-CB 3.29Å; E241-A245 PolarHBondContact O-N 2.86Å; E241-A245 VanDerWaalsContact O-N 3.16Å; R242-A245 PolarHBondContact O-N 3.1Å; E243-A245 VanDerWaalsContact C-N 3.28Å; E243-A245 PolarHBondContact O-N 3.45Å |
| 246 | Q | 70.2 | Confident | 88.6 | Confident | 213 Ų | 213 | 89.7 Ų | 89.7 | 100% | 0.995 | 50% | 0.504 | S | S | * | . | trans | -90.2 | 0 | 175.2 | -71 | 178.2 | 11.3 | 0 | 0 | 111.6 | E243 | E243-Q246 PolarHBondContact O-N 2.91Š|
Retrieved 246 of 246 residues in 87.9 ms
(Link to these results)